smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000078807274 185113265 /nfs/dbraw/zinc/11/32/65/185113265.db2.gz UGQQALSTHVMSCE-UHFFFAOYSA-N 1 2 316.364 2.948 20 30 DFEDLO N#Cc1csc(CNc2cc(CSCCO)cc[nH+]2)c1 ZINC000305735459 231033595 /nfs/dbraw/zinc/03/35/95/231033595.db2.gz LTIRIXAPZJBCDZ-UHFFFAOYSA-N 1 2 305.428 2.852 20 30 DFEDLO N#Cc1cc(Br)ccc1CN1CCn2cc[nH+]c2C1 ZINC000311662155 231119576 /nfs/dbraw/zinc/11/95/76/231119576.db2.gz WROTWZKYMMMFSN-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065947182 398351909 /nfs/dbraw/zinc/35/19/09/398351909.db2.gz SKSYIMLFEKXUSD-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO C#CC[N@H+](CC(=O)NCc1cccs1)Cc1ccc(F)cc1 ZINC000065958422 398353088 /nfs/dbraw/zinc/35/30/88/398353088.db2.gz DFTGXROULJQNRS-UHFFFAOYSA-N 1 2 316.401 2.639 20 30 DFEDLO C#CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(F)cc1 ZINC000065958422 398353091 /nfs/dbraw/zinc/35/30/91/398353091.db2.gz DFTGXROULJQNRS-UHFFFAOYSA-N 1 2 316.401 2.639 20 30 DFEDLO Cc1nc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000361028037 282191782 /nfs/dbraw/zinc/19/17/82/282191782.db2.gz BIGYKCFYIGKNKN-AWEZNQCLSA-N 1 2 311.364 2.877 20 30 DFEDLO N#Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000596240823 398365442 /nfs/dbraw/zinc/36/54/42/398365442.db2.gz ZPYPNSIJOHCTAS-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO C=CCNC(=O)C[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000579480903 398380563 /nfs/dbraw/zinc/38/05/63/398380563.db2.gz NCUZJDAXOUHXKA-UHFFFAOYSA-N 1 2 309.413 2.694 20 30 DFEDLO C=CCNC(=O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000579480903 398380566 /nfs/dbraw/zinc/38/05/66/398380566.db2.gz NCUZJDAXOUHXKA-UHFFFAOYSA-N 1 2 309.413 2.694 20 30 DFEDLO COc1cc[nH+]c(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000579077428 398377897 /nfs/dbraw/zinc/37/78/97/398377897.db2.gz VPUHCUCSAYAXNA-IRXDYDNUSA-N 1 2 301.390 2.517 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000579139588 398378302 /nfs/dbraw/zinc/37/83/02/398378302.db2.gz MJQFIZUROJSDFZ-SNVBAGLBSA-N 1 2 304.375 2.623 20 30 DFEDLO Cc1cccc(N2CC[NH+](Cc3ccncc3C#N)CC2)c1C ZINC000592059261 398378667 /nfs/dbraw/zinc/37/86/67/398378667.db2.gz YWBXBWPVPHUYEU-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO Cc1[nH]c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2[nH+]1 ZINC000010657041 398378763 /nfs/dbraw/zinc/37/87/63/398378763.db2.gz DSKWJSIUFPOAJB-UHFFFAOYSA-N 1 2 306.325 2.761 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011473341 398382572 /nfs/dbraw/zinc/38/25/72/398382572.db2.gz LFWGBYJHUMZAEM-YOEHRIQHSA-N 1 2 317.458 2.866 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011473341 398382577 /nfs/dbraw/zinc/38/25/77/398382577.db2.gz LFWGBYJHUMZAEM-YOEHRIQHSA-N 1 2 317.458 2.866 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000592101938 398384901 /nfs/dbraw/zinc/38/49/01/398384901.db2.gz UWDLAKLEUYBERG-HNNXBMFYSA-N 1 2 321.302 2.795 20 30 DFEDLO N#CC[C@H]1CCCN(c2cc(N3CCC[C@@H](CC#N)C3)nc[nH+]2)C1 ZINC000596327745 398386845 /nfs/dbraw/zinc/38/68/45/398386845.db2.gz BJKOHCTUTPTXCW-IYBDPMFKSA-N 1 2 324.432 2.737 20 30 DFEDLO N#CC[C@H]1CCCN(c2cc(N3CCC[C@@H](CC#N)C3)[nH+]cn2)C1 ZINC000596327745 398386848 /nfs/dbraw/zinc/38/68/48/398386848.db2.gz BJKOHCTUTPTXCW-IYBDPMFKSA-N 1 2 324.432 2.737 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccncc1C#N ZINC000592123143 398387652 /nfs/dbraw/zinc/38/76/52/398387652.db2.gz XBFSTIHUGIJOSX-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000592123143 398387654 /nfs/dbraw/zinc/38/76/54/398387654.db2.gz XBFSTIHUGIJOSX-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO N#CC[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000596331629 398387856 /nfs/dbraw/zinc/38/78/56/398387856.db2.gz SLZNXKIZAMOADE-AWEZNQCLSA-N 1 2 318.384 2.946 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1cccc(C#N)c1 ZINC000092504432 185322765 /nfs/dbraw/zinc/32/27/65/185322765.db2.gz YJLADRNFXXDPCC-UHFFFAOYSA-N 1 2 310.401 2.797 20 30 DFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1cccc(C#N)c1 ZINC000092504432 185322766 /nfs/dbraw/zinc/32/27/66/185322766.db2.gz YJLADRNFXXDPCC-UHFFFAOYSA-N 1 2 310.401 2.797 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000592152679 398392888 /nfs/dbraw/zinc/39/28/88/398392888.db2.gz BRFRHJGSTXACPY-ZDUSSCGKSA-N 1 2 320.261 2.834 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000592151127 398392363 /nfs/dbraw/zinc/39/23/63/398392363.db2.gz MFJARFMFNZREMH-AWEZNQCLSA-N 1 2 305.428 2.722 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000592151127 398392367 /nfs/dbraw/zinc/39/23/67/398392367.db2.gz MFJARFMFNZREMH-AWEZNQCLSA-N 1 2 305.428 2.722 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000592152679 398392893 /nfs/dbraw/zinc/39/28/93/398392893.db2.gz BRFRHJGSTXACPY-ZDUSSCGKSA-N 1 2 320.261 2.834 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592195503 398399861 /nfs/dbraw/zinc/39/98/61/398399861.db2.gz SQVYKYBGBSAHPK-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592195503 398399864 /nfs/dbraw/zinc/39/98/64/398399864.db2.gz SQVYKYBGBSAHPK-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000017843574 398404974 /nfs/dbraw/zinc/40/49/74/398404974.db2.gz SNWPCBDPACEFEZ-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO CSCC1(CCNc2[nH+]cnc3c2cnn3CCC#N)CC1 ZINC000596430035 398410632 /nfs/dbraw/zinc/41/06/32/398410632.db2.gz UBGLBBCPGHKKLO-UHFFFAOYSA-N 1 2 316.434 2.685 20 30 DFEDLO C[C@@]1(CCNc2[nH+]cnc3c2cnn3CCC#N)CC1(F)F ZINC000596475770 398423342 /nfs/dbraw/zinc/42/33/42/398423342.db2.gz MSKRMLKJELULMB-CYBMUJFWSA-N 1 2 306.320 2.587 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000067407529 398432731 /nfs/dbraw/zinc/43/27/31/398432731.db2.gz RQXIJQDDJBWOTL-ZDUSSCGKSA-N 1 2 308.447 2.650 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000592522446 398440695 /nfs/dbraw/zinc/44/06/95/398440695.db2.gz NHXFOXSUISKFAQ-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000592522446 398440696 /nfs/dbraw/zinc/44/06/96/398440696.db2.gz NHXFOXSUISKFAQ-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000586772311 398456354 /nfs/dbraw/zinc/45/63/54/398456354.db2.gz UDQIJGOSTWJXGF-UHFFFAOYSA-N 1 2 313.744 2.510 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccncc1 ZINC000596595206 398456798 /nfs/dbraw/zinc/45/67/98/398456798.db2.gz YOLNBMAZSFDBKI-SFHVURJKSA-N 1 2 320.396 2.975 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccncc1 ZINC000596595206 398456800 /nfs/dbraw/zinc/45/68/00/398456800.db2.gz YOLNBMAZSFDBKI-SFHVURJKSA-N 1 2 320.396 2.975 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000586777300 398457113 /nfs/dbraw/zinc/45/71/13/398457113.db2.gz KQFCHDGJQLFGBC-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000586777300 398457116 /nfs/dbraw/zinc/45/71/16/398457116.db2.gz KQFCHDGJQLFGBC-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000596658635 398473456 /nfs/dbraw/zinc/47/34/56/398473456.db2.gz YYZIWAXMQLFOER-CYBMUJFWSA-N 1 2 305.809 2.534 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000596661660 398474153 /nfs/dbraw/zinc/47/41/53/398474153.db2.gz PAVOHEFGYJSTHU-ZDUSSCGKSA-N 1 2 305.809 2.534 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000028658087 398475247 /nfs/dbraw/zinc/47/52/47/398475247.db2.gz KYVAENURAJTSHJ-CZUORRHYSA-N 1 2 311.364 2.682 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000596682944 398478693 /nfs/dbraw/zinc/47/86/93/398478693.db2.gz GFNQWXKXPDMIII-SMDDNHRTSA-N 1 2 316.792 2.829 20 30 DFEDLO Cc1cccc([C@@H](CNc2ncccc2C#N)[NH+]2CCOCC2)c1 ZINC000029626672 398489812 /nfs/dbraw/zinc/48/98/12/398489812.db2.gz VUKBSLGXBBMMPV-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C#CCNC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000029871820 398493013 /nfs/dbraw/zinc/49/30/13/398493013.db2.gz PJCKZEVMKWVPMS-UHFFFAOYSA-N 1 2 319.364 2.585 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000596770354 398498070 /nfs/dbraw/zinc/49/80/70/398498070.db2.gz IRAAOBBFRHALBY-GJZGRUSLSA-N 1 2 315.421 2.655 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000279628477 215017946 /nfs/dbraw/zinc/01/79/46/215017946.db2.gz UJQUPPAEENWCAR-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO CCCCCNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356101278 535045250 /nfs/dbraw/zinc/04/52/50/535045250.db2.gz QKPPLIVDXDQHIY-UHFFFAOYSA-N 1 2 320.462 2.533 20 30 DFEDLO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000068607698 398516593 /nfs/dbraw/zinc/51/65/93/398516593.db2.gz ITLAPIHGBZOQGT-SNVBAGLBSA-N 1 2 310.195 2.588 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000593022728 398522994 /nfs/dbraw/zinc/52/29/94/398522994.db2.gz JCNLALHKLLONCX-LBPRGKRZSA-N 1 2 311.288 2.670 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000593022728 398523000 /nfs/dbraw/zinc/52/30/00/398523000.db2.gz JCNLALHKLLONCX-LBPRGKRZSA-N 1 2 311.288 2.670 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)s1 ZINC000589127244 398528337 /nfs/dbraw/zinc/52/83/37/398528337.db2.gz FFISXRUNVQWUNL-LBPRGKRZSA-N 1 2 300.387 2.721 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000589128932 398529077 /nfs/dbraw/zinc/52/90/77/398529077.db2.gz VGBOSQNSOAHDSS-MRXNPFEDSA-N 1 2 308.385 2.588 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000593055380 398532207 /nfs/dbraw/zinc/53/22/07/398532207.db2.gz KQMRVNFYTKFUDO-CQSZACIVSA-N 1 2 319.405 2.596 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000593055380 398532210 /nfs/dbraw/zinc/53/22/10/398532210.db2.gz KQMRVNFYTKFUDO-CQSZACIVSA-N 1 2 319.405 2.596 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)c2ccc(F)cc2)n1 ZINC000279728104 215096690 /nfs/dbraw/zinc/09/66/90/215096690.db2.gz MUJXLWBRTSZIOB-UHFFFAOYSA-N 1 2 313.376 2.750 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)c2ccc(F)cc2)n1 ZINC000279728104 215096692 /nfs/dbraw/zinc/09/66/92/215096692.db2.gz MUJXLWBRTSZIOB-UHFFFAOYSA-N 1 2 313.376 2.750 20 30 DFEDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596978747 398539389 /nfs/dbraw/zinc/53/93/89/398539389.db2.gz DAPVNAFPJRGFMJ-UHFFFAOYSA-N 1 2 311.429 2.542 20 30 DFEDLO Cc1cc(NC[C@H]2CCCN(c3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000091686776 398541072 /nfs/dbraw/zinc/54/10/72/398541072.db2.gz BQGJPEXOEJYLAJ-OAHLLOKOSA-N 1 2 322.416 2.689 20 30 DFEDLO N#Cc1csc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000589313061 398544411 /nfs/dbraw/zinc/54/44/11/398544411.db2.gz BCWDYFNLXRLBFJ-HNNXBMFYSA-N 1 2 309.398 2.742 20 30 DFEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(N2CCCC2)n1 ZINC000589316879 398544531 /nfs/dbraw/zinc/54/45/31/398544531.db2.gz MGDFMHQZTOWDLX-UHFFFAOYSA-N 1 2 313.430 2.608 20 30 DFEDLO N#CC1(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000597008899 398546079 /nfs/dbraw/zinc/54/60/79/398546079.db2.gz MZAOAHIETBNIDV-UHFFFAOYSA-N 1 2 300.406 2.980 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012989 398546894 /nfs/dbraw/zinc/54/68/94/398546894.db2.gz GTOXIDGQQSJWHS-ZMOMAAQPSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012989 398546899 /nfs/dbraw/zinc/54/68/99/398546899.db2.gz GTOXIDGQQSJWHS-ZMOMAAQPSA-N 1 2 302.443 2.583 20 30 DFEDLO C=CCCOCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593117875 398550749 /nfs/dbraw/zinc/55/07/49/398550749.db2.gz RKHXJNVHJSMPRF-UHFFFAOYSA-N 1 2 317.433 2.671 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279752456 215114826 /nfs/dbraw/zinc/11/48/26/215114826.db2.gz LOAPBZSCHPJXTO-CZUORRHYSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279752456 215114827 /nfs/dbraw/zinc/11/48/27/215114827.db2.gz LOAPBZSCHPJXTO-CZUORRHYSA-N 1 2 315.417 2.632 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)COCc1cccs1)C2 ZINC000593125342 398552334 /nfs/dbraw/zinc/55/23/34/398552334.db2.gz MDFMNISDSRMQAY-HNNXBMFYSA-N 1 2 314.410 2.513 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)COCc1cccs1)C2 ZINC000593125342 398552337 /nfs/dbraw/zinc/55/23/37/398552337.db2.gz MDFMNISDSRMQAY-HNNXBMFYSA-N 1 2 314.410 2.513 20 30 DFEDLO CCC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000091968164 398551460 /nfs/dbraw/zinc/55/14/60/398551460.db2.gz PUKZWOMPWNCAGC-HZPDHXFCSA-N 1 2 317.458 2.585 20 30 DFEDLO C[C@@H](NC(=O)c1cccc(C#N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000589436977 398551613 /nfs/dbraw/zinc/55/16/13/398551613.db2.gz GVZIAZFOSJGMLL-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2nc(C#N)cs2)n1 ZINC000589498535 398557297 /nfs/dbraw/zinc/55/72/97/398557297.db2.gz BMDWDLVYSORBHA-OAHLLOKOSA-N 1 2 315.446 2.883 20 30 DFEDLO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2nc(C#N)cs2)n1 ZINC000589498535 398557299 /nfs/dbraw/zinc/55/72/99/398557299.db2.gz BMDWDLVYSORBHA-OAHLLOKOSA-N 1 2 315.446 2.883 20 30 DFEDLO CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155030 398559479 /nfs/dbraw/zinc/55/94/79/398559479.db2.gz ZPIOVPLHPNZDJD-BEFAXECRSA-N 1 2 315.461 2.949 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccco2)s1 ZINC000593154478 398559764 /nfs/dbraw/zinc/55/97/64/398559764.db2.gz VOPGKFWAYWQMJL-OAHLLOKOSA-N 1 2 303.387 2.582 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cccc(C#N)n1 ZINC000589535630 398559904 /nfs/dbraw/zinc/55/99/04/398559904.db2.gz OYTIGWLDGZKUAQ-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000597080854 398561946 /nfs/dbraw/zinc/56/19/46/398561946.db2.gz UJEKAWBBWOJDIO-ROUUACIJSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000597080854 398561949 /nfs/dbraw/zinc/56/19/49/398561949.db2.gz UJEKAWBBWOJDIO-ROUUACIJSA-N 1 2 300.402 2.980 20 30 DFEDLO N#Cc1cccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)n1 ZINC000589782227 398575916 /nfs/dbraw/zinc/57/59/16/398575916.db2.gz PAOGPWFZGQDNFJ-UHFFFAOYSA-N 1 2 321.315 2.662 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279894983 215215755 /nfs/dbraw/zinc/21/57/55/215215755.db2.gz UYOCHYZDGGKBPH-CJNGLKHVSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279894983 215215757 /nfs/dbraw/zinc/21/57/57/215215757.db2.gz UYOCHYZDGGKBPH-CJNGLKHVSA-N 1 2 315.417 2.632 20 30 DFEDLO CC(C)[C@@H]1N(c2[nH+]cnc3c2cnn3CCC#N)CC12CCC2 ZINC000589872625 398581023 /nfs/dbraw/zinc/58/10/23/398581023.db2.gz XQBNODKOQQDGDR-AWEZNQCLSA-N 1 2 310.405 2.755 20 30 DFEDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ncnn21 ZINC000597181967 398584085 /nfs/dbraw/zinc/58/40/85/398584085.db2.gz PUWFGLUMEVNEAF-ZANVPECISA-N 1 2 321.306 2.964 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)c([N+](=O)[O-])cc1OC ZINC000597198580 398588188 /nfs/dbraw/zinc/58/81/88/398588188.db2.gz NEHINTNFJLDOPP-AAEUAGOBSA-N 1 2 319.361 2.784 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000279997806 215300811 /nfs/dbraw/zinc/30/08/11/215300811.db2.gz JFAVOPQKULAYGJ-HNNXBMFYSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000279997806 215300814 /nfs/dbraw/zinc/30/08/14/215300814.db2.gz JFAVOPQKULAYGJ-HNNXBMFYSA-N 1 2 312.373 2.638 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC000597274085 398612183 /nfs/dbraw/zinc/61/21/83/398612183.db2.gz MUQMBPQJDYMMGI-UHFFFAOYSA-N 1 2 300.406 2.706 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3cscc3C#N)[nH+]c12 ZINC000590289892 398610500 /nfs/dbraw/zinc/61/05/00/398610500.db2.gz QYAUQQQXGOXGST-UHFFFAOYSA-N 1 2 310.382 2.548 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597295013 398616567 /nfs/dbraw/zinc/61/65/67/398616567.db2.gz XECKMZNHQDOCJI-ZIAGYGMSSA-N 1 2 323.400 2.856 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc([C@@]2(C#N)C[C@@H]2C)n1 ZINC000351093259 398617411 /nfs/dbraw/zinc/61/74/11/398617411.db2.gz QNSVZHGIYFXIEV-APPDUMDISA-N 1 2 307.357 2.772 20 30 DFEDLO Cc1cccn2cc(CNC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000091627629 282684518 /nfs/dbraw/zinc/68/45/18/282684518.db2.gz GABYOCINUYAPPQ-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000155671998 186102022 /nfs/dbraw/zinc/10/20/22/186102022.db2.gz NMMNYSLJRHYFOY-GJZGRUSLSA-N 1 2 309.360 2.537 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000155671998 186102023 /nfs/dbraw/zinc/10/20/23/186102023.db2.gz NMMNYSLJRHYFOY-GJZGRUSLSA-N 1 2 309.360 2.537 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000593450024 398633173 /nfs/dbraw/zinc/63/31/73/398633173.db2.gz DVALYIYXCMBYPR-KGLIPLIRSA-N 1 2 301.390 2.568 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093332280 398631484 /nfs/dbraw/zinc/63/14/84/398631484.db2.gz RBVAVRLRWGYRMW-ZFWWWQNUSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093332280 398631487 /nfs/dbraw/zinc/63/14/87/398631487.db2.gz RBVAVRLRWGYRMW-ZFWWWQNUSA-N 1 2 320.458 2.606 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503402 186170095 /nfs/dbraw/zinc/17/00/95/186170095.db2.gz FTTJIMNSZMAPSL-NSHDSACASA-N 1 2 300.200 2.541 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503402 186170096 /nfs/dbraw/zinc/17/00/96/186170096.db2.gz FTTJIMNSZMAPSL-NSHDSACASA-N 1 2 300.200 2.541 20 30 DFEDLO CS[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000593484637 398643587 /nfs/dbraw/zinc/64/35/87/398643587.db2.gz HHMXAEIEUGYRAI-CHWSQXEVSA-N 1 2 316.434 2.826 20 30 DFEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000191845585 186263326 /nfs/dbraw/zinc/26/33/26/186263326.db2.gz VFRVRPSOZFUDRJ-ABAIWWIYSA-N 1 2 306.793 2.843 20 30 DFEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000191845585 186263327 /nfs/dbraw/zinc/26/33/27/186263327.db2.gz VFRVRPSOZFUDRJ-ABAIWWIYSA-N 1 2 306.793 2.843 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593652792 398666246 /nfs/dbraw/zinc/66/62/46/398666246.db2.gz MVZPVLRHGDDUHD-UHFFFAOYSA-N 1 2 303.454 2.783 20 30 DFEDLO CC(C)(C#N)CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597642063 398672705 /nfs/dbraw/zinc/67/27/05/398672705.db2.gz SVWUKZJFBOYPAX-UHFFFAOYSA-N 1 2 320.462 2.547 20 30 DFEDLO CC(C)([NH2+]CC(=O)Nc1sccc1C#N)c1nccs1 ZINC000072662692 191210597 /nfs/dbraw/zinc/21/05/97/191210597.db2.gz LZYWCMALBXOBPD-UHFFFAOYSA-N 1 2 306.416 2.540 20 30 DFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC000281183245 334977041 /nfs/dbraw/zinc/97/70/41/334977041.db2.gz YYYAUBDWYALULW-GDBMZVCRSA-N 1 2 319.474 2.794 20 30 DFEDLO C#C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000281230856 334977972 /nfs/dbraw/zinc/97/79/72/334977972.db2.gz FIXJQOQYOPBXBS-CQSZACIVSA-N 1 2 320.462 2.908 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590858583 398688588 /nfs/dbraw/zinc/68/85/88/398688588.db2.gz OEXMWRYFRWTJHA-INIZCTEOSA-N 1 2 309.373 2.932 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C2 ZINC000597796421 398697350 /nfs/dbraw/zinc/69/73/50/398697350.db2.gz MSWZDDPIUQMITP-BLLLJJGKSA-N 1 2 322.412 2.914 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000597796421 398697352 /nfs/dbraw/zinc/69/73/52/398697352.db2.gz MSWZDDPIUQMITP-BLLLJJGKSA-N 1 2 322.412 2.914 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000590959266 398707942 /nfs/dbraw/zinc/70/79/42/398707942.db2.gz QIOKAFINGZCDPS-KOLCDFICSA-N 1 2 314.414 2.667 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000126704654 282920067 /nfs/dbraw/zinc/92/00/67/282920067.db2.gz CZSHGHLIVMLHTB-UHFFFAOYSA-N 1 2 320.396 2.874 20 30 DFEDLO N#CCCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593975318 398712409 /nfs/dbraw/zinc/71/24/09/398712409.db2.gz JJSJVJZWZQELSS-UHFFFAOYSA-N 1 2 301.390 2.541 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000593989392 398715337 /nfs/dbraw/zinc/71/53/37/398715337.db2.gz MTQDMEBGTDXQCI-AWEZNQCLSA-N 1 2 322.412 2.861 20 30 DFEDLO N#Cc1ccc2ncc(C[NH2+]Cc3ccn(C4CCCC4)n3)n2c1 ZINC000129061831 283001030 /nfs/dbraw/zinc/00/10/30/283001030.db2.gz JFIZFOXAPBXMQW-UHFFFAOYSA-N 1 2 320.400 2.807 20 30 DFEDLO C=CC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000110830624 398724557 /nfs/dbraw/zinc/72/45/57/398724557.db2.gz JYFGIAKQBJFXIJ-OAHLLOKOSA-N 1 2 324.218 2.625 20 30 DFEDLO C=CCCSCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000597969420 398729173 /nfs/dbraw/zinc/72/91/73/398729173.db2.gz AHNGZCXQRCIWDT-UHFFFAOYSA-N 1 2 303.431 2.921 20 30 DFEDLO CCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074344025 398741802 /nfs/dbraw/zinc/74/18/02/398741802.db2.gz STLKHVLQWVVWOY-OAHLLOKOSA-N 1 2 314.433 2.574 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000130669479 283095546 /nfs/dbraw/zinc/09/55/46/283095546.db2.gz FXCGQTDHSWSVMR-UHFFFAOYSA-N 1 2 316.311 2.510 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000598089664 398752468 /nfs/dbraw/zinc/75/24/68/398752468.db2.gz XJUMJMSCKRFUAI-SJLPKXTDSA-N 1 2 322.412 2.672 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCCC[C@@H]1C#N ZINC000598087681 398751521 /nfs/dbraw/zinc/75/15/21/398751521.db2.gz LGNCATAZJXPUQJ-CABCVRRESA-N 1 2 310.401 2.933 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178765 398760119 /nfs/dbraw/zinc/76/01/19/398760119.db2.gz ICKLQPNESWZSKT-UHFFFAOYSA-N 1 2 310.353 2.550 20 30 DFEDLO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(F)F ZINC000133361666 283148618 /nfs/dbraw/zinc/14/86/18/283148618.db2.gz DDZSRBNPAZUJPY-UHFFFAOYSA-N 1 2 301.362 2.925 20 30 DFEDLO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(F)F ZINC000133361666 283148623 /nfs/dbraw/zinc/14/86/23/283148623.db2.gz DDZSRBNPAZUJPY-UHFFFAOYSA-N 1 2 301.362 2.925 20 30 DFEDLO CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)nn1 ZINC000591616973 398776715 /nfs/dbraw/zinc/77/67/15/398776715.db2.gz ZGPWDKNFSJFWBG-QGZVFWFLSA-N 1 2 307.401 2.751 20 30 DFEDLO CN(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)nn1 ZINC000591616973 398776716 /nfs/dbraw/zinc/77/67/16/398776716.db2.gz ZGPWDKNFSJFWBG-QGZVFWFLSA-N 1 2 307.401 2.751 20 30 DFEDLO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)nn1 ZINC000591616809 398776728 /nfs/dbraw/zinc/77/67/28/398776728.db2.gz SYAIBWMFGVKXCT-HNNXBMFYSA-N 1 2 313.430 2.813 20 30 DFEDLO CN(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)nn1 ZINC000591616809 398776730 /nfs/dbraw/zinc/77/67/30/398776730.db2.gz SYAIBWMFGVKXCT-HNNXBMFYSA-N 1 2 313.430 2.813 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)c1ccc(C#N)cc1 ZINC000591616617 398776869 /nfs/dbraw/zinc/77/68/69/398776869.db2.gz XAUMZBXAMAXASE-DOMZBBRYSA-N 1 2 312.373 2.686 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000591808410 398789620 /nfs/dbraw/zinc/78/96/20/398789620.db2.gz ICRBINMUNMHETO-BBRMVZONSA-N 1 2 308.385 2.537 20 30 DFEDLO N#CC1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CCCCC1 ZINC000598313734 398789706 /nfs/dbraw/zinc/78/97/06/398789706.db2.gz PYMPNDKKALDKMA-UHFFFAOYSA-N 1 2 313.392 2.554 20 30 DFEDLO CCOC(=O)CC[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591822311 398792027 /nfs/dbraw/zinc/79/20/27/398792027.db2.gz XJTZIFNFOIOCGJ-CQSZACIVSA-N 1 2 301.390 2.821 20 30 DFEDLO N#Cc1c2c(cnc1N[C@H]1CCN(c3cccc[nH+]3)C1)CCC2 ZINC000591822466 398792066 /nfs/dbraw/zinc/79/20/66/398792066.db2.gz ZXBBAJVVCWFZFD-AWEZNQCLSA-N 1 2 305.385 2.528 20 30 DFEDLO CC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594507563 398812857 /nfs/dbraw/zinc/81/28/57/398812857.db2.gz HMIVRLZPLFLIMH-LSDHHAIUSA-N 1 2 311.389 2.769 20 30 DFEDLO C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000152113281 283310415 /nfs/dbraw/zinc/31/04/15/283310415.db2.gz FFIIFARQQQICLP-WMLDXEAASA-N 1 2 323.400 2.547 20 30 DFEDLO N#CCCN(C(=O)C[NH+]1CCSCC1)c1cccc(Cl)c1 ZINC000127258542 398819373 /nfs/dbraw/zinc/81/93/73/398819373.db2.gz TVVPZGQZKMISED-UHFFFAOYSA-N 1 2 323.849 2.635 20 30 DFEDLO Cc1ccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)o1 ZINC000051966232 398827978 /nfs/dbraw/zinc/82/79/78/398827978.db2.gz CIEZYZVZHAMKME-KRWDZBQOSA-N 1 2 303.406 2.607 20 30 DFEDLO Cc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)o1 ZINC000051966232 398827980 /nfs/dbraw/zinc/82/79/80/398827980.db2.gz CIEZYZVZHAMKME-KRWDZBQOSA-N 1 2 303.406 2.607 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)s1 ZINC000128602379 398829888 /nfs/dbraw/zinc/82/98/88/398829888.db2.gz VSJLXKNZLVBMCE-UHFFFAOYSA-N 1 2 317.458 2.649 20 30 DFEDLO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)no1 ZINC000179938937 199097032 /nfs/dbraw/zinc/09/70/32/199097032.db2.gz WPWKRDHYJIYMEV-UHFFFAOYSA-N 1 2 321.384 2.887 20 30 DFEDLO Cc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)no1 ZINC000179938937 199097033 /nfs/dbraw/zinc/09/70/33/199097033.db2.gz WPWKRDHYJIYMEV-UHFFFAOYSA-N 1 2 321.384 2.887 20 30 DFEDLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607480 398830442 /nfs/dbraw/zinc/83/04/42/398830442.db2.gz VPFVZBIXROFWCI-MRXNPFEDSA-N 1 2 300.402 2.919 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617495 398842097 /nfs/dbraw/zinc/84/20/97/398842097.db2.gz SNFPBVVYQNFNBN-ZIAGYGMSSA-N 1 2 319.453 2.756 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617495 398842101 /nfs/dbraw/zinc/84/21/01/398842101.db2.gz SNFPBVVYQNFNBN-ZIAGYGMSSA-N 1 2 319.453 2.756 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617492 398842212 /nfs/dbraw/zinc/84/22/12/398842212.db2.gz SNFPBVVYQNFNBN-KBPBESRZSA-N 1 2 319.453 2.756 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617492 398842214 /nfs/dbraw/zinc/84/22/14/398842214.db2.gz SNFPBVVYQNFNBN-KBPBESRZSA-N 1 2 319.453 2.756 20 30 DFEDLO CNC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000361635365 283339446 /nfs/dbraw/zinc/33/94/46/283339446.db2.gz DWDCLSBUKQORMA-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1CO ZINC000598645288 398847000 /nfs/dbraw/zinc/84/70/00/398847000.db2.gz CBBCBFOEIRNRET-FZMZJTMJSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1CO ZINC000598645288 398847002 /nfs/dbraw/zinc/84/70/02/398847002.db2.gz CBBCBFOEIRNRET-FZMZJTMJSA-N 1 2 323.234 2.771 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281091559 216073699 /nfs/dbraw/zinc/07/36/99/216073699.db2.gz VGEQKDCQUIOYCF-LJQANCHMSA-N 1 2 323.396 2.623 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281091559 216073701 /nfs/dbraw/zinc/07/37/01/216073701.db2.gz VGEQKDCQUIOYCF-LJQANCHMSA-N 1 2 323.396 2.623 20 30 DFEDLO C[C@H]1C[N@H+](CCSc2nc3c(cc2C#N)CCCC3)CCO1 ZINC000188283432 200221809 /nfs/dbraw/zinc/22/18/09/200221809.db2.gz OQCQKAYYYCHEJA-ZDUSSCGKSA-N 1 2 317.458 2.645 20 30 DFEDLO C[C@H]1C[N@@H+](CCSc2nc3c(cc2C#N)CCCC3)CCO1 ZINC000188283432 200221811 /nfs/dbraw/zinc/22/18/11/200221811.db2.gz OQCQKAYYYCHEJA-ZDUSSCGKSA-N 1 2 317.458 2.645 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000188576017 200268584 /nfs/dbraw/zinc/26/85/84/200268584.db2.gz INRXIOBEIGTYNW-UHFFFAOYSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1[nH]c2ccc(NC(=O)COc3ccccc3C#N)cc2[nH+]1 ZINC000055229153 398924013 /nfs/dbraw/zinc/92/40/13/398924013.db2.gz AHRSTKGMUOXEGQ-UHFFFAOYSA-N 1 2 306.325 2.761 20 30 DFEDLO Cc1nocc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000595432271 398937122 /nfs/dbraw/zinc/93/71/22/398937122.db2.gz YHVCFZXVGKRWJH-KRWDZBQOSA-N 1 2 314.364 2.505 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000599236433 398941925 /nfs/dbraw/zinc/94/19/25/398941925.db2.gz CDPDMZWQZVJPDF-LSDHHAIUSA-N 1 2 305.809 2.723 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000599236433 398941926 /nfs/dbraw/zinc/94/19/26/398941926.db2.gz CDPDMZWQZVJPDF-LSDHHAIUSA-N 1 2 305.809 2.723 20 30 DFEDLO C#Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000078256776 398945031 /nfs/dbraw/zinc/94/50/31/398945031.db2.gz MJDLRRRGVNEMSB-UHFFFAOYSA-N 1 2 317.352 2.570 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C#N)c1ccccc1 ZINC000595478456 398946819 /nfs/dbraw/zinc/94/68/19/398946819.db2.gz CYWYLVUPCZMCPT-XDNAFOTISA-N 1 2 300.402 2.503 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C#N)c1ccccc1 ZINC000595478456 398946823 /nfs/dbraw/zinc/94/68/23/398946823.db2.gz CYWYLVUPCZMCPT-XDNAFOTISA-N 1 2 300.402 2.503 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000078320884 398948071 /nfs/dbraw/zinc/94/80/71/398948071.db2.gz WMIFRLWJGSVIIL-NSHDSACASA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000078320884 398948075 /nfs/dbraw/zinc/94/80/75/398948075.db2.gz WMIFRLWJGSVIIL-NSHDSACASA-N 1 2 303.189 2.579 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599285325 398948245 /nfs/dbraw/zinc/94/82/45/398948245.db2.gz PFRVIOWNFMOCMD-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599285325 398948248 /nfs/dbraw/zinc/94/82/48/398948248.db2.gz PFRVIOWNFMOCMD-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000595482523 398947734 /nfs/dbraw/zinc/94/77/34/398947734.db2.gz PHZMITOXBXTLJO-BXKDBHETSA-N 1 2 310.195 2.635 20 30 DFEDLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)CC2(C#N)CC2)cs1 ZINC000599300346 398950797 /nfs/dbraw/zinc/95/07/97/398950797.db2.gz PMSCEKRETNYAOW-TZMCWYRMSA-N 1 2 323.462 2.727 20 30 DFEDLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)CC2(C#N)CC2)cs1 ZINC000599300346 398950798 /nfs/dbraw/zinc/95/07/98/398950798.db2.gz PMSCEKRETNYAOW-TZMCWYRMSA-N 1 2 323.462 2.727 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599299363 398950892 /nfs/dbraw/zinc/95/08/92/398950892.db2.gz DVGKABZWPPQWCL-CYBMUJFWSA-N 1 2 314.389 2.979 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599299363 398950893 /nfs/dbraw/zinc/95/08/93/398950893.db2.gz DVGKABZWPPQWCL-CYBMUJFWSA-N 1 2 314.389 2.979 20 30 DFEDLO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccnc1 ZINC000595501576 398951370 /nfs/dbraw/zinc/95/13/70/398951370.db2.gz TZFLKUNJJZJWSR-KRWDZBQOSA-N 1 2 313.376 2.942 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505952 398953154 /nfs/dbraw/zinc/95/31/54/398953154.db2.gz AGYDBVVLBKNEJM-CQSZACIVSA-N 1 2 318.371 2.920 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505952 398953156 /nfs/dbraw/zinc/95/31/56/398953156.db2.gz AGYDBVVLBKNEJM-CQSZACIVSA-N 1 2 318.371 2.920 20 30 DFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000599339920 398956370 /nfs/dbraw/zinc/95/63/70/398956370.db2.gz YCZRPRORVRCCPA-HNNXBMFYSA-N 1 2 324.371 2.665 20 30 DFEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000599339920 398956372 /nfs/dbraw/zinc/95/63/72/398956372.db2.gz YCZRPRORVRCCPA-HNNXBMFYSA-N 1 2 324.371 2.665 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599336678 398956536 /nfs/dbraw/zinc/95/65/36/398956536.db2.gz MPISARKEEQHCQG-INIZCTEOSA-N 1 2 307.825 2.711 20 30 DFEDLO C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1[nH+]ccn1C ZINC000595568862 398976499 /nfs/dbraw/zinc/97/64/99/398976499.db2.gz VXEGZPLIHKFMCO-ZFWWWQNUSA-N 1 2 311.389 2.825 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296038367 291276951 /nfs/dbraw/zinc/27/69/51/291276951.db2.gz OACUOBPGNQEGCV-JKSUJKDBSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296038367 291276954 /nfs/dbraw/zinc/27/69/54/291276954.db2.gz OACUOBPGNQEGCV-JKSUJKDBSA-N 1 2 316.401 2.519 20 30 DFEDLO CCOC(=O)c1cccc(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000600175585 398990081 /nfs/dbraw/zinc/99/00/81/398990081.db2.gz RNNMUZLQFWLMPH-UHFFFAOYSA-N 1 2 301.390 2.822 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611571 398999687 /nfs/dbraw/zinc/99/96/87/398999687.db2.gz LIYBYUFQPKCLLO-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611571 398999693 /nfs/dbraw/zinc/99/96/93/398999693.db2.gz LIYBYUFQPKCLLO-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595612421 399000567 /nfs/dbraw/zinc/00/05/67/399000567.db2.gz WNXVJQVCNKULCU-GFCCVEGCSA-N 1 2 317.345 2.587 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595612421 399000570 /nfs/dbraw/zinc/00/05/70/399000570.db2.gz WNXVJQVCNKULCU-GFCCVEGCSA-N 1 2 317.345 2.587 20 30 DFEDLO COCC#CC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595613174 399000970 /nfs/dbraw/zinc/00/09/70/399000970.db2.gz ISTLNPDAVQMEAF-KRWDZBQOSA-N 1 2 315.413 2.577 20 30 DFEDLO COCC#CC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595613174 399000974 /nfs/dbraw/zinc/00/09/74/399000974.db2.gz ISTLNPDAVQMEAF-KRWDZBQOSA-N 1 2 315.413 2.577 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615042 399001193 /nfs/dbraw/zinc/00/11/93/399001193.db2.gz OLBCVKJTSZJEFJ-BBRMVZONSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615042 399001199 /nfs/dbraw/zinc/00/11/99/399001199.db2.gz OLBCVKJTSZJEFJ-BBRMVZONSA-N 1 2 301.365 2.557 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595616552 399002606 /nfs/dbraw/zinc/00/26/06/399002606.db2.gz RUPVQLHKAXSMRA-GXTWGEPZSA-N 1 2 314.389 2.721 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595616552 399002612 /nfs/dbraw/zinc/00/26/12/399002612.db2.gz RUPVQLHKAXSMRA-GXTWGEPZSA-N 1 2 314.389 2.721 20 30 DFEDLO C[C@]1(C2CC2)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000595618860 399004509 /nfs/dbraw/zinc/00/45/09/399004509.db2.gz TXNNHUBJOQTBAC-GOSISDBHSA-N 1 2 324.384 2.609 20 30 DFEDLO C[C@]1(C2CC2)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000595618860 399004515 /nfs/dbraw/zinc/00/45/15/399004515.db2.gz TXNNHUBJOQTBAC-GOSISDBHSA-N 1 2 324.384 2.609 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595621125 399006061 /nfs/dbraw/zinc/00/60/61/399006061.db2.gz UBWXUBUKLWSIRV-INIZCTEOSA-N 1 2 320.458 2.785 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595621125 399006065 /nfs/dbraw/zinc/00/60/65/399006065.db2.gz UBWXUBUKLWSIRV-INIZCTEOSA-N 1 2 320.458 2.785 20 30 DFEDLO Cc1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000595632572 399011990 /nfs/dbraw/zinc/01/19/90/399011990.db2.gz GFIRFPHCWUHOIW-UHFFFAOYSA-N 1 2 300.318 2.788 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553466 399013743 /nfs/dbraw/zinc/01/37/43/399013743.db2.gz VWGHVSYMRCFDKT-NEPJUHHUSA-N 1 2 307.444 2.528 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553466 399013748 /nfs/dbraw/zinc/01/37/48/399013748.db2.gz VWGHVSYMRCFDKT-NEPJUHHUSA-N 1 2 307.444 2.528 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000079182185 399022587 /nfs/dbraw/zinc/02/25/87/399022587.db2.gz PCWSDQQUGHKSSF-UHFFFAOYSA-N 1 2 300.406 2.565 20 30 DFEDLO CC(C)c1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000595657512 399023784 /nfs/dbraw/zinc/02/37/84/399023784.db2.gz LQLCSZFDXYFUCV-UHFFFAOYSA-N 1 2 311.429 2.731 20 30 DFEDLO CC(C)c1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000595657512 399023789 /nfs/dbraw/zinc/02/37/89/399023789.db2.gz LQLCSZFDXYFUCV-UHFFFAOYSA-N 1 2 311.429 2.731 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cscn2)c(C#N)c1C ZINC000595668349 399026386 /nfs/dbraw/zinc/02/63/86/399026386.db2.gz MFWZULRFGWMSIT-ZJUUUORDSA-N 1 2 318.402 2.902 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674689 399029302 /nfs/dbraw/zinc/02/93/02/399029302.db2.gz KIBOTZCTIVAMMU-GDBMZVCRSA-N 1 2 315.417 2.957 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674689 399029305 /nfs/dbraw/zinc/02/93/05/399029305.db2.gz KIBOTZCTIVAMMU-GDBMZVCRSA-N 1 2 315.417 2.957 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)/C=C/c3cccc(C#N)c3)cn2c1 ZINC000057268061 399029427 /nfs/dbraw/zinc/02/94/27/399029427.db2.gz QPJDLXHOXFSJAY-SOFGYWHQSA-N 1 2 316.364 2.844 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC(F)(F)C[C@H]2C)c1C#N ZINC000599624732 399032044 /nfs/dbraw/zinc/03/20/44/399032044.db2.gz XDVSPYNNLJMKOX-LLVKDONJSA-N 1 2 308.328 2.964 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC(F)(F)C[C@H]2C)c1C#N ZINC000599624732 399032052 /nfs/dbraw/zinc/03/20/52/399032052.db2.gz XDVSPYNNLJMKOX-LLVKDONJSA-N 1 2 308.328 2.964 20 30 DFEDLO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3C#N)nc2c1 ZINC000595691072 399036936 /nfs/dbraw/zinc/03/69/36/399036936.db2.gz TWGMMWGUKPJQRL-QWHCGFSZSA-N 1 2 312.373 2.521 20 30 DFEDLO Cn1cc(-c2nc(C[NH2+][C@H]3CCCC[C@@H]3C#N)cs2)cn1 ZINC000595692795 399037660 /nfs/dbraw/zinc/03/76/60/399037660.db2.gz QMNXKUWPVYPWKX-RISCZKNCSA-N 1 2 301.419 2.716 20 30 DFEDLO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595694081 399037847 /nfs/dbraw/zinc/03/78/47/399037847.db2.gz WVQGLBLAXVSOBA-UONOGXRCSA-N 1 2 301.390 2.696 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000595693140 399038125 /nfs/dbraw/zinc/03/81/25/399038125.db2.gz SAYCXWJSXZEYCP-NWANDNLSSA-N 1 2 301.365 2.603 20 30 DFEDLO Cn1cc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3C#N)cs2)cn1 ZINC000595692793 399038134 /nfs/dbraw/zinc/03/81/34/399038134.db2.gz QMNXKUWPVYPWKX-BXUZGUMPSA-N 1 2 301.419 2.716 20 30 DFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595701934 399043931 /nfs/dbraw/zinc/04/39/31/399043931.db2.gz UWJLPMVEEARGQR-WFASDCNBSA-N 1 2 316.361 2.514 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595701806 399044229 /nfs/dbraw/zinc/04/42/29/399044229.db2.gz FQQDYSQVUUTJEX-MJBXVCDLSA-N 1 2 301.390 2.694 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595701804 399044491 /nfs/dbraw/zinc/04/44/91/399044491.db2.gz FQQDYSQVUUTJEX-IHRRRGAJSA-N 1 2 301.390 2.694 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595702248 399044587 /nfs/dbraw/zinc/04/45/87/399044587.db2.gz WKJZTAGJEVBJTK-AVGNSLFASA-N 1 2 316.361 2.594 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595698469 399041170 /nfs/dbraw/zinc/04/11/70/399041170.db2.gz JBRCNQLLYDSQOM-HUBLWGQQSA-N 1 2 316.361 2.594 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C#N)c(C#N)c1C ZINC000595705945 399047711 /nfs/dbraw/zinc/04/77/11/399047711.db2.gz YQZJWFADVKOOEJ-OCCSQVGLSA-N 1 2 316.430 2.847 20 30 DFEDLO C=CCCSCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000595721551 399053902 /nfs/dbraw/zinc/05/39/02/399053902.db2.gz YDAPFWKONYQEPO-ZDUSSCGKSA-N 1 2 322.478 2.822 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000599674168 399056902 /nfs/dbraw/zinc/05/69/02/399056902.db2.gz ADEYIALZHZGBNR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000599674168 399056910 /nfs/dbraw/zinc/05/69/10/399056910.db2.gz ADEYIALZHZGBNR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595832535 399104325 /nfs/dbraw/zinc/10/43/25/399104325.db2.gz BWECWMRICFITNL-GBGSKMMNSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595832535 399104329 /nfs/dbraw/zinc/10/43/29/399104329.db2.gz BWECWMRICFITNL-GBGSKMMNSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839297 399107447 /nfs/dbraw/zinc/10/74/47/399107447.db2.gz HMZZQFUYAUBSPK-WBVHZDCISA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839297 399107454 /nfs/dbraw/zinc/10/74/54/399107454.db2.gz HMZZQFUYAUBSPK-WBVHZDCISA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1[nH+]ccn1C ZINC000595844148 399111386 /nfs/dbraw/zinc/11/13/86/399111386.db2.gz APCQTHMQQNAZOE-MLGOLLRUSA-N 1 2 323.400 2.730 20 30 DFEDLO N#Cc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000060616000 399139846 /nfs/dbraw/zinc/13/98/46/399139846.db2.gz FFSRUDULKIYNCI-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181388716 399139927 /nfs/dbraw/zinc/13/99/27/399139927.db2.gz RUEYPWOVULKINF-HNNXBMFYSA-N 1 2 302.422 2.658 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000181388430 399139765 /nfs/dbraw/zinc/13/97/65/399139765.db2.gz NZQCQGPXWMDVOQ-INIZCTEOSA-N 1 2 316.449 2.654 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000614060968 399144037 /nfs/dbraw/zinc/14/40/37/399144037.db2.gz OOAVQSCZXVZJAM-CMPLNLGQSA-N 1 2 311.307 2.702 20 30 DFEDLO C=CCOCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000618525785 399145846 /nfs/dbraw/zinc/14/58/46/399145846.db2.gz MGLLTLBBUBNKQT-MRXNPFEDSA-N 1 2 313.401 2.641 20 30 DFEDLO N#Cc1cc(F)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264596636 204017916 /nfs/dbraw/zinc/01/79/16/204017916.db2.gz ABNVYGMRRFQNLA-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1 ZINC000264732096 204111781 /nfs/dbraw/zinc/11/17/81/204111781.db2.gz RFQMSHLEXLDHSF-UHFFFAOYSA-N 1 2 301.415 2.794 20 30 DFEDLO C=CC[N@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1 ZINC000264732096 204111784 /nfs/dbraw/zinc/11/17/84/204111784.db2.gz RFQMSHLEXLDHSF-UHFFFAOYSA-N 1 2 301.415 2.794 20 30 DFEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264810733 204175335 /nfs/dbraw/zinc/17/53/35/204175335.db2.gz BDYZJXFMVUVGJG-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264810733 204175338 /nfs/dbraw/zinc/17/53/38/204175338.db2.gz BDYZJXFMVUVGJG-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO N#Cc1cnnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000596064937 399159695 /nfs/dbraw/zinc/15/96/95/399159695.db2.gz KXECIWPMGDODSC-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000265257531 204489433 /nfs/dbraw/zinc/48/94/33/204489433.db2.gz BAWJYHZNKXSUSC-IUODEOHRSA-N 1 2 316.380 2.912 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761271 335016935 /nfs/dbraw/zinc/01/69/35/335016935.db2.gz KDKLITBJIPZJKJ-FGTMMUONSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761271 335016937 /nfs/dbraw/zinc/01/69/37/335016937.db2.gz KDKLITBJIPZJKJ-FGTMMUONSA-N 1 2 319.832 2.553 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581367 399195300 /nfs/dbraw/zinc/19/53/00/399195300.db2.gz GEAFMGNKQHJMIF-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581367 399195304 /nfs/dbraw/zinc/19/53/04/399195304.db2.gz GEAFMGNKQHJMIF-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C#CCNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000063663864 399200605 /nfs/dbraw/zinc/20/06/05/399200605.db2.gz VETVWMSVODBXKH-UHFFFAOYSA-N 1 2 321.405 2.990 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000622133713 399206001 /nfs/dbraw/zinc/20/60/01/399206001.db2.gz HKRDHHNDKKHUMD-WCXIOVBPSA-N 1 2 317.433 2.539 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)c3c[nH]c(C#N)c3)ccc2n1C1CC1 ZINC000282931069 217334547 /nfs/dbraw/zinc/33/45/47/217334547.db2.gz ORNMOVGYEQAAJX-UHFFFAOYSA-N 1 2 319.368 2.809 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000017843284 182086778 /nfs/dbraw/zinc/08/67/78/182086778.db2.gz ROXXHMRVRKGYLT-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC=C(c2ccccc2)CC1)C[C@@H](C)C#N ZINC000064248774 399217411 /nfs/dbraw/zinc/21/74/11/399217411.db2.gz GFCTVWSWOITXBX-INIZCTEOSA-N 1 2 311.429 2.784 20 30 DFEDLO CC[N@H+](CC(=O)N1CC=C(c2ccccc2)CC1)C[C@@H](C)C#N ZINC000064248774 399217414 /nfs/dbraw/zinc/21/74/14/399217414.db2.gz GFCTVWSWOITXBX-INIZCTEOSA-N 1 2 311.429 2.784 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2S[C@H](C#N)CCc1ccccc1 ZINC000601075376 399218535 /nfs/dbraw/zinc/21/85/35/399218535.db2.gz PFWFOGQIBNYKRX-ZDUSSCGKSA-N 1 2 309.398 2.980 20 30 DFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120234071 296209519 /nfs/dbraw/zinc/20/95/19/296209519.db2.gz QFOQKYYXNZLTNI-HIFRSBDPSA-N 1 2 324.384 2.802 20 30 DFEDLO COc1cc(Br)ccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000614481374 399238648 /nfs/dbraw/zinc/23/86/48/399238648.db2.gz NICHWVKGHVVWJM-LLVKDONJSA-N 1 2 322.206 2.991 20 30 DFEDLO N#Cc1cncc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000601186847 399250506 /nfs/dbraw/zinc/25/05/06/399250506.db2.gz CTZZCXQWWKTUJA-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO Cc1cccn2cc(Cc3noc(C4(C#N)CC5(CC5)C4)n3)[nH+]c12 ZINC000601361764 399281287 /nfs/dbraw/zinc/28/12/87/399281287.db2.gz OMFQRAYOOGQYBE-UHFFFAOYSA-N 1 2 319.368 2.952 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000614997640 399289495 /nfs/dbraw/zinc/28/94/95/399289495.db2.gz WYMUCKGRWFWOJO-GOSISDBHSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000614997640 399289496 /nfs/dbraw/zinc/28/94/96/399289496.db2.gz WYMUCKGRWFWOJO-GOSISDBHSA-N 1 2 324.428 2.645 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784727 399295146 /nfs/dbraw/zinc/29/51/46/399295146.db2.gz PFRZMFOSERBXIV-GHMZBOCLSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784727 399295151 /nfs/dbraw/zinc/29/51/51/399295151.db2.gz PFRZMFOSERBXIV-GHMZBOCLSA-N 1 2 317.216 2.825 20 30 DFEDLO Cc1noc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000609146049 399306494 /nfs/dbraw/zinc/30/64/94/399306494.db2.gz WPIOWFLGPBBTIE-LBPRGKRZSA-N 1 2 312.373 2.854 20 30 DFEDLO N#C[C@@H]1N(Cc2c[nH+]c3ccccn23)CCC[C@]12CCCCO2 ZINC000619196540 399311882 /nfs/dbraw/zinc/31/18/82/399311882.db2.gz IJZXFIKFNNRAFT-FUHWJXTLSA-N 1 2 310.401 2.762 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000615227689 399314720 /nfs/dbraw/zinc/31/47/20/399314720.db2.gz GFFUCJYQQAJTNG-HOTGVXAUSA-N 1 2 306.793 2.591 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000615227689 399314722 /nfs/dbraw/zinc/31/47/22/399314722.db2.gz GFFUCJYQQAJTNG-HOTGVXAUSA-N 1 2 306.793 2.591 20 30 DFEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1F ZINC000609486226 399320278 /nfs/dbraw/zinc/32/02/78/399320278.db2.gz GFBHCOGCYBWHPJ-INIZCTEOSA-N 1 2 305.397 2.500 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000601710922 399326814 /nfs/dbraw/zinc/32/68/14/399326814.db2.gz LPCKBFMUBIJVOE-UHFFFAOYSA-N 1 2 311.307 2.613 20 30 DFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000609675914 399329792 /nfs/dbraw/zinc/32/97/92/399329792.db2.gz XRAQUVZQWHPYQK-QFYYESIMSA-N 1 2 315.323 2.714 20 30 DFEDLO Cc1ccc([C@@H]2CCCN2c2[nH+]cnc3c2cnn3CCC#N)o1 ZINC000609704761 399330279 /nfs/dbraw/zinc/33/02/79/399330279.db2.gz HAXASUMCBFZSLV-AWEZNQCLSA-N 1 2 322.372 2.983 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000287296286 335042540 /nfs/dbraw/zinc/04/25/40/335042540.db2.gz IVCUTILFEHNMED-SFHVURJKSA-N 1 2 324.428 2.549 20 30 DFEDLO COC[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000610279257 399353086 /nfs/dbraw/zinc/35/30/86/399353086.db2.gz NBKHKKLIPJNBFY-HNNXBMFYSA-N 1 2 322.372 2.540 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303892 399358497 /nfs/dbraw/zinc/35/84/97/399358497.db2.gz NAAZVOYSBATGNR-ZDUSSCGKSA-N 1 2 313.426 2.906 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000601942685 399364625 /nfs/dbraw/zinc/36/46/25/399364625.db2.gz RRNPDKFCJXVIPI-KVULBXGLSA-N 1 2 316.401 2.829 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000610408331 399364914 /nfs/dbraw/zinc/36/49/14/399364914.db2.gz TUKQFPPNRFJYHS-PBHICJAKSA-N 1 2 323.400 2.862 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000610408332 399364932 /nfs/dbraw/zinc/36/49/32/399364932.db2.gz TUKQFPPNRFJYHS-RHSMWYFYSA-N 1 2 323.400 2.862 20 30 DFEDLO N#C[C@]1(F)CCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000615643485 399367127 /nfs/dbraw/zinc/36/71/27/399367127.db2.gz BQFQFNWHMCGQJT-CYBMUJFWSA-N 1 2 323.169 2.534 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCO[C@H](C(F)F)CC2)cn2ccccc12 ZINC000601977496 399372915 /nfs/dbraw/zinc/37/29/15/399372915.db2.gz UZBHJVGHERFJQD-HNNXBMFYSA-N 1 2 305.328 2.667 20 30 DFEDLO N#Cc1c(C[N@H+]2CCO[C@H](C(F)F)CC2)cn2ccccc12 ZINC000601977496 399372920 /nfs/dbraw/zinc/37/29/20/399372920.db2.gz UZBHJVGHERFJQD-HNNXBMFYSA-N 1 2 305.328 2.667 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000610511771 399375401 /nfs/dbraw/zinc/37/54/01/399375401.db2.gz WLHCSGBMJXQRSX-UHFFFAOYSA-N 1 2 314.332 2.659 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000610511771 399375403 /nfs/dbraw/zinc/37/54/03/399375403.db2.gz WLHCSGBMJXQRSX-UHFFFAOYSA-N 1 2 314.332 2.659 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000619719005 399382357 /nfs/dbraw/zinc/38/23/57/399382357.db2.gz MVKWNOUKWHEDTI-GXTWGEPZSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000619719005 399382363 /nfs/dbraw/zinc/38/23/63/399382363.db2.gz MVKWNOUKWHEDTI-GXTWGEPZSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000619720155 399382450 /nfs/dbraw/zinc/38/24/50/399382450.db2.gz IUPPEOAJVJYXHY-KRWDZBQOSA-N 1 2 301.386 2.902 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000619720155 399382453 /nfs/dbraw/zinc/38/24/53/399382453.db2.gz IUPPEOAJVJYXHY-KRWDZBQOSA-N 1 2 301.386 2.902 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619718862 399382535 /nfs/dbraw/zinc/38/25/35/399382535.db2.gz DCZMCBZAVGGWDS-GXTWGEPZSA-N 1 2 300.358 2.735 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619718862 399382538 /nfs/dbraw/zinc/38/25/38/399382538.db2.gz DCZMCBZAVGGWDS-GXTWGEPZSA-N 1 2 300.358 2.735 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000154890029 197002828 /nfs/dbraw/zinc/00/28/28/197002828.db2.gz AEDBYYQWFSAUBD-GFCCVEGCSA-N 1 2 305.378 2.640 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000154890029 197002829 /nfs/dbraw/zinc/00/28/29/197002829.db2.gz AEDBYYQWFSAUBD-GFCCVEGCSA-N 1 2 305.378 2.640 20 30 DFEDLO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(F)c1C#N ZINC000602014103 399384723 /nfs/dbraw/zinc/38/47/23/399384723.db2.gz AWXCHRHZDSRNPE-UHFFFAOYSA-N 1 2 300.381 2.845 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1Cl ZINC000619746929 399386461 /nfs/dbraw/zinc/38/64/61/399386461.db2.gz UCELOZNTEFRFNZ-OAHLLOKOSA-N 1 2 317.751 2.667 20 30 DFEDLO CC(C)(C)n1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1 ZINC000619748361 399387143 /nfs/dbraw/zinc/38/71/43/399387143.db2.gz JIXXVLIQLJLRLU-UHFFFAOYSA-N 1 2 303.797 2.848 20 30 DFEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000602029845 399387799 /nfs/dbraw/zinc/38/77/99/399387799.db2.gz JOVQUSOTLJLVDS-GOSISDBHSA-N 1 2 321.380 2.780 20 30 DFEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000602029845 399387801 /nfs/dbraw/zinc/38/78/01/399387801.db2.gz JOVQUSOTLJLVDS-GOSISDBHSA-N 1 2 321.380 2.780 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000602092509 399393318 /nfs/dbraw/zinc/39/33/18/399393318.db2.gz WNQRRMHPDDRFFJ-HZPDHXFCSA-N 1 2 324.384 2.859 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000602092509 399393323 /nfs/dbraw/zinc/39/33/23/399393323.db2.gz WNQRRMHPDDRFFJ-HZPDHXFCSA-N 1 2 324.384 2.859 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471712 399396600 /nfs/dbraw/zinc/39/66/00/399396600.db2.gz NNNWXZSKCIIRFF-HNNXBMFYSA-N 1 2 314.433 2.658 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000602149365 399401501 /nfs/dbraw/zinc/40/15/01/399401501.db2.gz UXJRQWVGWAMWMC-CHWSQXEVSA-N 1 2 307.357 2.598 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000602149365 399401504 /nfs/dbraw/zinc/40/15/04/399401504.db2.gz UXJRQWVGWAMWMC-CHWSQXEVSA-N 1 2 307.357 2.598 20 30 DFEDLO CCOC(=O)C1([N@H+](C)Cc2ccnc(C#N)c2)CCCCC1 ZINC000610995192 399427181 /nfs/dbraw/zinc/42/71/81/399427181.db2.gz XBPCLJJIIIGBOB-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO CCOC(=O)C1([N@@H+](C)Cc2ccnc(C#N)c2)CCCCC1 ZINC000610995192 399427183 /nfs/dbraw/zinc/42/71/83/399427183.db2.gz XBPCLJJIIIGBOB-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(C#N)n1)CC2 ZINC000602436013 399443167 /nfs/dbraw/zinc/44/31/67/399443167.db2.gz XQLFUWIMTOWZOW-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC000602436013 399443171 /nfs/dbraw/zinc/44/31/71/399443171.db2.gz XQLFUWIMTOWZOW-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO Cc1c(Br)cccc1C[NH+]1CCN(CCC#N)CC1 ZINC000611185611 399443765 /nfs/dbraw/zinc/44/37/65/399443765.db2.gz BMCZKYPWYIKTDL-UHFFFAOYSA-N 1 2 322.250 2.789 20 30 DFEDLO CO[C@@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000602427733 399441537 /nfs/dbraw/zinc/44/15/37/399441537.db2.gz JONIRPREFLTTFF-MOPGFXCFSA-N 1 2 313.445 2.511 20 30 DFEDLO CO[C@@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000602427733 399441539 /nfs/dbraw/zinc/44/15/39/399441539.db2.gz JONIRPREFLTTFF-MOPGFXCFSA-N 1 2 313.445 2.511 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cscc3Cl)CC2)nc1 ZINC000611253834 399451612 /nfs/dbraw/zinc/45/16/12/399451612.db2.gz KJFPKMLBMNXUFX-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cscc2Cl)CC1 ZINC000611253423 399451955 /nfs/dbraw/zinc/45/19/55/399451955.db2.gz XUDDSELHPMDMRD-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1OCCCCO)C1CC1 ZINC000602485132 399459229 /nfs/dbraw/zinc/45/92/29/399459229.db2.gz QQYVFCIHOWCXCE-OAHLLOKOSA-N 1 2 302.418 2.962 20 30 DFEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1OCCCCO)C1CC1 ZINC000602485132 399459231 /nfs/dbraw/zinc/45/92/31/399459231.db2.gz QQYVFCIHOWCXCE-OAHLLOKOSA-N 1 2 302.418 2.962 20 30 DFEDLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3CCC#N)CC12CCC2 ZINC000611298686 399459840 /nfs/dbraw/zinc/45/98/40/399459840.db2.gz MSCAQWJJXOXYJN-CYBMUJFWSA-N 1 2 310.405 2.756 20 30 DFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)o1 ZINC000052241161 425883941 /nfs/dbraw/zinc/88/39/41/425883941.db2.gz SFPOFGDXGFWULG-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](CC3(C#N)CC3)C2)o1 ZINC000611429967 399475778 /nfs/dbraw/zinc/47/57/78/399475778.db2.gz KRMYFILSRSTGRX-CQSZACIVSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)o1 ZINC000611429967 399475782 /nfs/dbraw/zinc/47/57/82/399475782.db2.gz KRMYFILSRSTGRX-CQSZACIVSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(CC3(C#N)CC3)C2)o1 ZINC000611429967 399475784 /nfs/dbraw/zinc/47/57/84/399475784.db2.gz KRMYFILSRSTGRX-CQSZACIVSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(CC3(C#N)CC3)C2)o1 ZINC000611429967 399475786 /nfs/dbraw/zinc/47/57/86/399475786.db2.gz KRMYFILSRSTGRX-CQSZACIVSA-N 1 2 302.422 2.608 20 30 DFEDLO CN(CCO)c1ccc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]c1 ZINC000611475664 399479849 /nfs/dbraw/zinc/47/98/49/399479849.db2.gz WSLBVAOGOBWUNB-SFHVURJKSA-N 1 2 322.412 2.871 20 30 DFEDLO Cc1cc(Br)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000611501043 399482627 /nfs/dbraw/zinc/48/26/27/399482627.db2.gz VOAMHYKTWXCCEG-UHFFFAOYSA-N 1 2 322.250 2.789 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000611553101 399490411 /nfs/dbraw/zinc/49/04/11/399490411.db2.gz QVTHPLGWNOGCBS-GOSISDBHSA-N 1 2 310.376 2.603 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OC)cc1 ZINC000602621869 399493142 /nfs/dbraw/zinc/49/31/42/399493142.db2.gz DVAYEPULQMEPRL-PXCJXSSVSA-N 1 2 302.374 2.581 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1cccc(C#N)n1)CCCC2 ZINC000602623889 399493933 /nfs/dbraw/zinc/49/39/33/399493933.db2.gz JIURFTLDCDSFSV-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000616748571 399510147 /nfs/dbraw/zinc/51/01/47/399510147.db2.gz YLDANNMGSAOVPC-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000616748571 399510151 /nfs/dbraw/zinc/51/01/51/399510151.db2.gz YLDANNMGSAOVPC-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1C#N ZINC000616754164 399511583 /nfs/dbraw/zinc/51/15/83/399511583.db2.gz AHKRDIRQAASKLH-HNNXBMFYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1C#N ZINC000616754164 399511588 /nfs/dbraw/zinc/51/15/88/399511588.db2.gz AHKRDIRQAASKLH-HNNXBMFYSA-N 1 2 318.417 2.989 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000602705678 399530577 /nfs/dbraw/zinc/53/05/77/399530577.db2.gz BNUAFMJQZHDFQE-TZMCWYRMSA-N 1 2 318.421 2.547 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C(=O)OC(C)(C)C)n1 ZINC000602709258 399532352 /nfs/dbraw/zinc/53/23/52/399532352.db2.gz RIZBWCZNNOESBC-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C(=O)OC(C)(C)C)n1 ZINC000602709258 399532357 /nfs/dbraw/zinc/53/23/57/399532357.db2.gz RIZBWCZNNOESBC-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000602708159 399531284 /nfs/dbraw/zinc/53/12/84/399531284.db2.gz LZAMFMMEHQWLKX-TZMCWYRMSA-N 1 2 318.421 2.547 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602717205 399536598 /nfs/dbraw/zinc/53/65/98/399536598.db2.gz YDZJHMQEOHNVMB-MRXNPFEDSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602717205 399536601 /nfs/dbraw/zinc/53/66/01/399536601.db2.gz YDZJHMQEOHNVMB-MRXNPFEDSA-N 1 2 311.360 2.883 20 30 DFEDLO COC(=O)c1[nH]c(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000602730063 399544653 /nfs/dbraw/zinc/54/46/53/399544653.db2.gz OQBZUQHYPNWEIZ-UHFFFAOYSA-N 1 2 323.396 2.734 20 30 DFEDLO COC(=O)c1[nH]c(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000602730063 399544656 /nfs/dbraw/zinc/54/46/56/399544656.db2.gz OQBZUQHYPNWEIZ-UHFFFAOYSA-N 1 2 323.396 2.734 20 30 DFEDLO C#CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000270352236 208424279 /nfs/dbraw/zinc/42/42/79/208424279.db2.gz PVDSXAKBSQLXIP-SFHVURJKSA-N 1 2 322.412 2.994 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)C(=O)OC ZINC000602735442 399547963 /nfs/dbraw/zinc/54/79/63/399547963.db2.gz XFUCIEVTYTUOLD-RDJZCZTQSA-N 1 2 303.402 2.650 20 30 DFEDLO C#CCCCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000159223819 197337041 /nfs/dbraw/zinc/33/70/41/197337041.db2.gz UEZLSFHGSOKDLC-UHFFFAOYSA-N 1 2 312.417 2.838 20 30 DFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120233883 195124457 /nfs/dbraw/zinc/12/44/57/195124457.db2.gz QFOQKYYXNZLTNI-ZFWWWQNUSA-N 1 2 324.384 2.802 20 30 DFEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000612057231 399567892 /nfs/dbraw/zinc/56/78/92/399567892.db2.gz DGOAJZRCBIRRCV-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000158175307 197250643 /nfs/dbraw/zinc/25/06/43/197250643.db2.gz PSFISKUMGBJKIX-UHFFFAOYSA-N 1 2 311.385 2.872 20 30 DFEDLO N#CCCCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000158186174 197251697 /nfs/dbraw/zinc/25/16/97/197251697.db2.gz SQHXGVQTOCLAAE-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO N#CCCCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000158186174 197251698 /nfs/dbraw/zinc/25/16/98/197251698.db2.gz SQHXGVQTOCLAAE-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO C#CCOc1ccccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000288003522 335051161 /nfs/dbraw/zinc/05/11/61/335051161.db2.gz BDWPBSMJCDFXQX-UHFFFAOYSA-N 1 2 322.355 2.614 20 30 DFEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000602780758 399570005 /nfs/dbraw/zinc/57/00/05/399570005.db2.gz RQIZQHXBPAFPII-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000602780758 399570008 /nfs/dbraw/zinc/57/00/08/399570008.db2.gz RQIZQHXBPAFPII-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccns2)CC1 ZINC000602802393 399581475 /nfs/dbraw/zinc/58/14/75/399581475.db2.gz QSIOOTMCMSCQJZ-MRXNPFEDSA-N 1 2 316.405 2.665 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000617040253 399586121 /nfs/dbraw/zinc/58/61/21/399586121.db2.gz RLVRMAATGVQBHC-ZIAGYGMSSA-N 1 2 311.389 2.527 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162527 399595282 /nfs/dbraw/zinc/59/52/82/399595282.db2.gz OHHZLVIGTOLMAH-KSSFIOAISA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162527 399595290 /nfs/dbraw/zinc/59/52/90/399595290.db2.gz OHHZLVIGTOLMAH-KSSFIOAISA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612157818 399594409 /nfs/dbraw/zinc/59/44/09/399594409.db2.gz DSMICLGMPCYQSN-GJYPPUQNSA-N 1 2 313.445 2.920 20 30 DFEDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612157818 399594413 /nfs/dbraw/zinc/59/44/13/399594413.db2.gz DSMICLGMPCYQSN-GJYPPUQNSA-N 1 2 313.445 2.920 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167809 399598186 /nfs/dbraw/zinc/59/81/86/399598186.db2.gz WVSUSUVGOBRKDQ-KDOFPFPSSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167809 399598191 /nfs/dbraw/zinc/59/81/91/399598191.db2.gz WVSUSUVGOBRKDQ-KDOFPFPSSA-N 1 2 317.408 2.971 20 30 DFEDLO C=C(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000156308428 197103827 /nfs/dbraw/zinc/10/38/27/197103827.db2.gz MOKOJRXAQUDXPY-UHFFFAOYSA-N 1 2 302.422 2.693 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849466 399600684 /nfs/dbraw/zinc/60/06/84/399600684.db2.gz LKKXTKHQRIGPCI-TXEJJXNPSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849466 399600687 /nfs/dbraw/zinc/60/06/87/399600687.db2.gz LKKXTKHQRIGPCI-TXEJJXNPSA-N 1 2 312.339 2.519 20 30 DFEDLO COc1cc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1Cl ZINC000602850159 399601833 /nfs/dbraw/zinc/60/18/33/399601833.db2.gz PFDHUWXHJHXPAO-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO COc1cc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1Cl ZINC000602850159 399601835 /nfs/dbraw/zinc/60/18/35/399601835.db2.gz PFDHUWXHJHXPAO-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602851682 399602166 /nfs/dbraw/zinc/60/21/66/399602166.db2.gz WTMZPSPNWIUHBD-RYUDHWBXSA-N 1 2 322.796 2.666 20 30 DFEDLO C#CCCCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000155060399 197017473 /nfs/dbraw/zinc/01/74/73/197017473.db2.gz ROCZAENXEZJCCH-UHFFFAOYSA-N 1 2 310.401 2.749 20 30 DFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602861789 399607296 /nfs/dbraw/zinc/60/72/96/399607296.db2.gz JGAPKJUNSLWJBZ-ZFWWWQNUSA-N 1 2 303.406 2.544 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000602865215 399607426 /nfs/dbraw/zinc/60/74/26/399607426.db2.gz UVQWGZGORIJLPF-QFBILLFUSA-N 1 2 321.424 2.978 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868220 399608865 /nfs/dbraw/zinc/60/88/65/399608865.db2.gz IELDSLFZIHFHQA-IUCAKERBSA-N 1 2 306.366 2.654 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602868151 399608923 /nfs/dbraw/zinc/60/89/23/399608923.db2.gz HHNZRRLEORDRJX-WDEREUQCSA-N 1 2 309.797 2.876 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000602868793 399609932 /nfs/dbraw/zinc/60/99/32/399609932.db2.gz CVRJWNCJKVWVTG-ZANVPECISA-N 1 2 322.206 2.594 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000602869459 399610193 /nfs/dbraw/zinc/61/01/93/399610193.db2.gz NZWMEGYYBYJOEV-GFCCVEGCSA-N 1 2 315.373 2.558 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cn[nH]c3)o2)cc1 ZINC000602879894 399613669 /nfs/dbraw/zinc/61/36/69/399613669.db2.gz HCOFDZHFXCGZPF-HNNXBMFYSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cn[nH]c3)o2)cc1 ZINC000602879894 399613672 /nfs/dbraw/zinc/61/36/72/399613672.db2.gz HCOFDZHFXCGZPF-HNNXBMFYSA-N 1 2 320.356 2.668 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(Cc3cc(C#N)cs3)CC2)s1 ZINC000120456987 195169722 /nfs/dbraw/zinc/16/97/22/195169722.db2.gz NYSBZRTWOZZELQ-UHFFFAOYSA-N 1 2 318.471 2.703 20 30 DFEDLO Cc1ncc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)s1 ZINC000120456987 195169725 /nfs/dbraw/zinc/16/97/25/195169725.db2.gz NYSBZRTWOZZELQ-UHFFFAOYSA-N 1 2 318.471 2.703 20 30 DFEDLO C#C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(C)(C)C ZINC000288637314 335054467 /nfs/dbraw/zinc/05/44/67/335054467.db2.gz OPVQGCMOMTVGTR-AWEZNQCLSA-N 1 2 302.422 2.621 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)(C)C ZINC000288729009 335055049 /nfs/dbraw/zinc/05/50/49/335055049.db2.gz WLMJRXFQYJXKMM-HNNXBMFYSA-N 1 2 314.433 2.529 20 30 DFEDLO CCc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)s1 ZINC000602907231 399622413 /nfs/dbraw/zinc/62/24/13/399622413.db2.gz QJUWVHXSYOPMOG-UHFFFAOYSA-N 1 2 313.430 2.747 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccco1 ZINC000602927476 399630552 /nfs/dbraw/zinc/63/05/52/399630552.db2.gz SMGNRGGJJFVFPT-SFHVURJKSA-N 1 2 323.396 2.851 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccco1 ZINC000602927476 399630559 /nfs/dbraw/zinc/63/05/59/399630559.db2.gz SMGNRGGJJFVFPT-SFHVURJKSA-N 1 2 323.396 2.851 20 30 DFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(CCF)CC2)C1=O ZINC000602946485 399634897 /nfs/dbraw/zinc/63/48/97/399634897.db2.gz AJCKUULMTUBQAU-AWEZNQCLSA-N 1 2 321.421 2.797 20 30 DFEDLO CC1(F)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000602993287 399653069 /nfs/dbraw/zinc/65/30/69/399653069.db2.gz WPUYHZOHZAFHKA-LBPRGKRZSA-N 1 2 307.394 2.549 20 30 DFEDLO N#Cc1ccc(CCN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000603006940 399657138 /nfs/dbraw/zinc/65/71/38/399657138.db2.gz RRYWTKOFJMCEND-UHFFFAOYSA-N 1 2 321.424 2.624 20 30 DFEDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[C@H]1C#N ZINC000602973885 399643979 /nfs/dbraw/zinc/64/39/79/399643979.db2.gz HCQPHNKRRYRPCB-QAETUUGQSA-N 1 2 303.450 2.792 20 30 DFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[C@H]1C#N ZINC000602973885 399643983 /nfs/dbraw/zinc/64/39/83/399643983.db2.gz HCQPHNKRRYRPCB-QAETUUGQSA-N 1 2 303.450 2.792 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405577 399644717 /nfs/dbraw/zinc/64/47/17/399644717.db2.gz ALORHODHJWMCBM-KRWDZBQOSA-N 1 2 303.454 2.735 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405577 399644718 /nfs/dbraw/zinc/64/47/18/399644718.db2.gz ALORHODHJWMCBM-KRWDZBQOSA-N 1 2 303.454 2.735 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406680 399645038 /nfs/dbraw/zinc/64/50/38/399645038.db2.gz RFGBXEHMHZZTCF-KBXCAEBGSA-N 1 2 316.401 2.753 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406680 399645043 /nfs/dbraw/zinc/64/50/43/399645043.db2.gz RFGBXEHMHZZTCF-KBXCAEBGSA-N 1 2 316.401 2.753 20 30 DFEDLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602976836 399645697 /nfs/dbraw/zinc/64/56/97/399645697.db2.gz UGCGCAHMXIQAPV-AEFFLSMTSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602976836 399645704 /nfs/dbraw/zinc/64/57/04/399645704.db2.gz UGCGCAHMXIQAPV-AEFFLSMTSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979319 399646354 /nfs/dbraw/zinc/64/63/54/399646354.db2.gz BWRIKGTWZLPVOU-ZHALLVOQSA-N 1 2 311.429 2.878 20 30 DFEDLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979319 399646356 /nfs/dbraw/zinc/64/63/56/399646356.db2.gz BWRIKGTWZLPVOU-ZHALLVOQSA-N 1 2 311.429 2.878 20 30 DFEDLO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602979329 399646503 /nfs/dbraw/zinc/64/65/03/399646503.db2.gz BXUPTGVACTVPAO-BBRMVZONSA-N 1 2 324.421 2.614 20 30 DFEDLO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602979329 399646506 /nfs/dbraw/zinc/64/65/06/399646506.db2.gz BXUPTGVACTVPAO-BBRMVZONSA-N 1 2 324.421 2.614 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799620 399647647 /nfs/dbraw/zinc/64/76/47/399647647.db2.gz ODYXDHAQOACFCB-BEFAXECRSA-N 1 2 323.396 2.930 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799620 399647653 /nfs/dbraw/zinc/64/76/53/399647653.db2.gz ODYXDHAQOACFCB-BEFAXECRSA-N 1 2 323.396 2.930 20 30 DFEDLO C[N@H+]([C@H]1CCC[C@@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980130 399647691 /nfs/dbraw/zinc/64/76/91/399647691.db2.gz MIHIBTVNPPXKDY-BPQIPLTHSA-N 1 2 322.412 2.678 20 30 DFEDLO C[N@@H+]([C@H]1CCC[C@@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980130 399647696 /nfs/dbraw/zinc/64/76/96/399647696.db2.gz MIHIBTVNPPXKDY-BPQIPLTHSA-N 1 2 322.412 2.678 20 30 DFEDLO C[N@H+]([C@H]1CCC[C@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980133 399648309 /nfs/dbraw/zinc/64/83/09/399648309.db2.gz MIHIBTVNPPXKDY-RYQLBKOJSA-N 1 2 322.412 2.678 20 30 DFEDLO C[N@@H+]([C@H]1CCC[C@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980133 399648312 /nfs/dbraw/zinc/64/83/12/399648312.db2.gz MIHIBTVNPPXKDY-RYQLBKOJSA-N 1 2 322.412 2.678 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021954 399724018 /nfs/dbraw/zinc/72/40/18/399724018.db2.gz WNFLUWURGGOESM-CQSZACIVSA-N 1 2 302.418 2.824 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021954 399724019 /nfs/dbraw/zinc/72/40/19/399724019.db2.gz WNFLUWURGGOESM-CQSZACIVSA-N 1 2 302.418 2.824 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000331898525 533627008 /nfs/dbraw/zinc/62/70/08/533627008.db2.gz WUYFXJIVSRWEDG-WCQYABFASA-N 1 2 300.387 2.540 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCCCC1 ZINC000617719026 399783268 /nfs/dbraw/zinc/78/32/68/399783268.db2.gz GRGQQVUUGWHGMQ-HZPDHXFCSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCCCC1 ZINC000617719026 399783270 /nfs/dbraw/zinc/78/32/70/399783270.db2.gz GRGQQVUUGWHGMQ-HZPDHXFCSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621406107 399785755 /nfs/dbraw/zinc/78/57/55/399785755.db2.gz LXIZCFMLIFGBGO-OAHLLOKOSA-N 1 2 300.393 2.991 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCCOC2)O1 ZINC000369551731 131255706 /nfs/dbraw/zinc/25/57/06/131255706.db2.gz PFWLDLJOVNWFLI-SJLPKXTDSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCCOC2)O1 ZINC000369551731 131255708 /nfs/dbraw/zinc/25/57/08/131255708.db2.gz PFWLDLJOVNWFLI-SJLPKXTDSA-N 1 2 318.392 2.857 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnc2n1CCCCC2 ZINC000613063134 399786962 /nfs/dbraw/zinc/78/69/62/399786962.db2.gz CGZDJXZEIFSZKM-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO C=CCOCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626404056 399845431 /nfs/dbraw/zinc/84/54/31/399845431.db2.gz PLKIAZDRIZLZIH-INIZCTEOSA-N 1 2 322.836 2.623 20 30 DFEDLO C=CCOCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626404056 399845437 /nfs/dbraw/zinc/84/54/37/399845437.db2.gz PLKIAZDRIZLZIH-INIZCTEOSA-N 1 2 322.836 2.623 20 30 DFEDLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1F ZINC000328691936 543097028 /nfs/dbraw/zinc/09/70/28/543097028.db2.gz CALLRGWBNLHBQV-TZMCWYRMSA-N 1 2 305.353 2.773 20 30 DFEDLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1F ZINC000328691936 543097033 /nfs/dbraw/zinc/09/70/33/543097033.db2.gz CALLRGWBNLHBQV-TZMCWYRMSA-N 1 2 305.353 2.773 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000328987066 543099369 /nfs/dbraw/zinc/09/93/69/543099369.db2.gz HGTHVGGIGBENOX-LBPRGKRZSA-N 1 2 322.430 2.873 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000328987066 543099370 /nfs/dbraw/zinc/09/93/70/543099370.db2.gz HGTHVGGIGBENOX-LBPRGKRZSA-N 1 2 322.430 2.873 20 30 DFEDLO C[C@@H]1C[C@@H]1CNC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329258792 543101834 /nfs/dbraw/zinc/10/18/34/543101834.db2.gz FJGKSEORJGFEHZ-JHJVBQTASA-N 1 2 304.438 2.655 20 30 DFEDLO C[C@@H]1C[C@@H]1C[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329258792 543101837 /nfs/dbraw/zinc/10/18/37/543101837.db2.gz FJGKSEORJGFEHZ-JHJVBQTASA-N 1 2 304.438 2.655 20 30 DFEDLO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000329339051 543102765 /nfs/dbraw/zinc/10/27/65/543102765.db2.gz NMKMRFBSWYMJSC-SWLSCSKDSA-N 1 2 324.384 2.783 20 30 DFEDLO C[C@@H](c1ccncc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604526629 399852196 /nfs/dbraw/zinc/85/21/96/399852196.db2.gz IFKOVMLHYPCEAY-ZDUSSCGKSA-N 1 2 323.400 2.702 20 30 DFEDLO CCOc1ccccc1CNc1[nH+]cnc2c1cnn2CCC#N ZINC000604558464 399856431 /nfs/dbraw/zinc/85/64/31/399856431.db2.gz FOFKYOLXKASJDY-UHFFFAOYSA-N 1 2 322.372 2.751 20 30 DFEDLO CCc1ccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559567 399856486 /nfs/dbraw/zinc/85/64/86/399856486.db2.gz ZERWVDVDKDPCRV-UHFFFAOYSA-N 1 2 320.400 2.939 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000116602116 145200341 /nfs/dbraw/zinc/20/03/41/145200341.db2.gz MFRHMUACVXASOQ-UHFFFAOYSA-N 1 2 324.365 2.545 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630852849 399939383 /nfs/dbraw/zinc/93/93/83/399939383.db2.gz XVZNJEIBLOPZLT-UHFFFAOYSA-N 1 2 323.318 2.992 20 30 DFEDLO C=CC(C)(C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000628316185 400019235 /nfs/dbraw/zinc/01/92/35/400019235.db2.gz LQNQLNAMZGGRDK-UHFFFAOYSA-N 1 2 316.445 2.851 20 30 DFEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@@H]1C ZINC000252008142 146220701 /nfs/dbraw/zinc/22/07/01/146220701.db2.gz XGKKWKUBMXSMLK-XHDPSFHLSA-N 1 2 321.808 2.507 20 30 DFEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@@H]1C ZINC000252008142 146220702 /nfs/dbraw/zinc/22/07/02/146220702.db2.gz XGKKWKUBMXSMLK-XHDPSFHLSA-N 1 2 321.808 2.507 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ncc(C#N)cc1C ZINC000556827419 543444473 /nfs/dbraw/zinc/44/44/73/543444473.db2.gz PRHWFNOKOXFHJH-HNNXBMFYSA-N 1 2 323.400 2.846 20 30 DFEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000361073262 149022776 /nfs/dbraw/zinc/02/27/76/149022776.db2.gz MZDSIBVXHJHORZ-CQSZACIVSA-N 1 2 305.381 2.751 20 30 DFEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000361073262 149022778 /nfs/dbraw/zinc/02/27/78/149022778.db2.gz MZDSIBVXHJHORZ-CQSZACIVSA-N 1 2 305.381 2.751 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C#N)cn2C)[nH+]1 ZINC000371246313 150010171 /nfs/dbraw/zinc/01/01/71/150010171.db2.gz CHSYXVRXNMNPPS-UHFFFAOYSA-N 1 2 305.341 2.848 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)cc1C)CCC2 ZINC000371257561 150010619 /nfs/dbraw/zinc/01/06/19/150010619.db2.gz YHGUZTXVOKEIEK-OAHLLOKOSA-N 1 2 308.385 2.679 20 30 DFEDLO Cc1nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c(C)[nH+]1 ZINC000371288294 150016557 /nfs/dbraw/zinc/01/65/57/150016557.db2.gz XNAGVFMLCBRGHL-QGZVFWFLSA-N 1 2 308.385 2.851 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cnn4ccccc34)CCO2)c1 ZINC000371461947 150050711 /nfs/dbraw/zinc/05/07/11/150050711.db2.gz AKZPWQGSKWTYMG-IBGZPJMESA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cnn4ccccc34)CCO2)c1 ZINC000371461947 150050718 /nfs/dbraw/zinc/05/07/18/150050718.db2.gz AKZPWQGSKWTYMG-IBGZPJMESA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(Br)c1 ZINC000372269001 150155492 /nfs/dbraw/zinc/15/54/92/150155492.db2.gz VNTHOKXSNKIUEZ-OAHLLOKOSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c(Br)c1 ZINC000372269001 150155493 /nfs/dbraw/zinc/15/54/93/150155493.db2.gz VNTHOKXSNKIUEZ-OAHLLOKOSA-N 1 2 321.218 2.932 20 30 DFEDLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000355153644 158285965 /nfs/dbraw/zinc/28/59/65/158285965.db2.gz VUHOIAHGVREMBQ-SFHVURJKSA-N 1 2 323.396 2.925 20 30 DFEDLO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000355153644 158285966 /nfs/dbraw/zinc/28/59/66/158285966.db2.gz VUHOIAHGVREMBQ-SFHVURJKSA-N 1 2 323.396 2.925 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129213866 196029863 /nfs/dbraw/zinc/02/98/63/196029863.db2.gz SNWSGHKXNZKSOS-HFBAOOFYSA-N 1 2 323.387 2.974 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129213866 196029865 /nfs/dbraw/zinc/02/98/65/196029865.db2.gz SNWSGHKXNZKSOS-HFBAOOFYSA-N 1 2 323.387 2.974 20 30 DFEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000132251364 196239044 /nfs/dbraw/zinc/23/90/44/196239044.db2.gz XTOAURHEWUBYBO-UHFFFAOYSA-N 1 2 311.307 2.771 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162752 543754874 /nfs/dbraw/zinc/75/48/74/543754874.db2.gz HALRLIAKUDURKB-XJKSGUPXSA-N 1 2 314.389 2.745 20 30 DFEDLO C#Cc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000290417158 335073325 /nfs/dbraw/zinc/07/33/25/335073325.db2.gz QPUXHBDDYONOHD-UHFFFAOYSA-N 1 2 307.397 2.507 20 30 DFEDLO N#Cc1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000296614616 226051768 /nfs/dbraw/zinc/05/17/68/226051768.db2.gz UILBQKRIYUYYEO-UHFFFAOYSA-N 1 2 324.344 2.990 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669673099 543981429 /nfs/dbraw/zinc/98/14/29/543981429.db2.gz DCWTXVLVNYLSJC-OAHLLOKOSA-N 1 2 317.433 2.518 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000291577165 335081522 /nfs/dbraw/zinc/08/15/22/335081522.db2.gz ONRVFSXLCOGVLO-UHFFFAOYSA-N 1 2 322.437 2.627 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000677477688 544494894 /nfs/dbraw/zinc/49/48/94/544494894.db2.gz SPXNLABLWYFUMD-INIZCTEOSA-N 1 2 323.440 2.657 20 30 DFEDLO COCC#CC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000679174929 544795709 /nfs/dbraw/zinc/79/57/09/544795709.db2.gz KBYHUWYTNZYAAV-MRXNPFEDSA-N 1 2 316.449 2.682 20 30 DFEDLO COCC#CC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000679174929 544795714 /nfs/dbraw/zinc/79/57/14/544795714.db2.gz KBYHUWYTNZYAAV-MRXNPFEDSA-N 1 2 316.449 2.682 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3cccc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000301264060 229594850 /nfs/dbraw/zinc/59/48/50/229594850.db2.gz HBKIXMAAUAFDLK-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cc(N(C)Cc2nc(-c3cccnc3)no2)c(C#N)c(C)[nH+]1 ZINC000301803024 229904181 /nfs/dbraw/zinc/90/41/81/229904181.db2.gz WSQQNFBEXZHTJS-UHFFFAOYSA-N 1 2 320.356 2.652 20 30 DFEDLO Cc1nc(N2CCN(c3cc(Cl)ccc3C#N)CC2)cc[nH+]1 ZINC000302172958 230140173 /nfs/dbraw/zinc/14/01/73/230140173.db2.gz VQLWLTSFTOKZOJ-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000680427464 545007052 /nfs/dbraw/zinc/00/70/52/545007052.db2.gz ANXYBQIKDVUYIF-DOMZBBRYSA-N 1 2 301.390 2.887 20 30 DFEDLO N#CC1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000061647157 425899585 /nfs/dbraw/zinc/89/95/85/425899585.db2.gz PHLHUOLLUUWRFH-ZZXKWVIFSA-N 1 2 306.369 2.648 20 30 DFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1noc(C2CC2)n1 ZINC000067099990 425908750 /nfs/dbraw/zinc/90/87/50/425908750.db2.gz DIVRESUTXYPDMC-UHFFFAOYSA-N 1 2 306.753 2.632 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000067462512 425910762 /nfs/dbraw/zinc/91/07/62/425910762.db2.gz HWFVTIHCAWXWBB-QGZVFWFLSA-N 1 2 320.433 2.685 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000067462512 425910763 /nfs/dbraw/zinc/91/07/63/425910763.db2.gz HWFVTIHCAWXWBB-QGZVFWFLSA-N 1 2 320.433 2.685 20 30 DFEDLO N#Cc1ccsc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000068422213 425917749 /nfs/dbraw/zinc/91/77/49/425917749.db2.gz SCPJEFALDGANJS-UHFFFAOYSA-N 1 2 300.387 2.637 20 30 DFEDLO Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(C#N)cn1 ZINC000425245314 269914674 /nfs/dbraw/zinc/91/46/74/269914674.db2.gz WLUCWYSRNKOTPK-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421015943 270000580 /nfs/dbraw/zinc/00/05/80/270000580.db2.gz ITEMUKDCVGLNDS-AWEZNQCLSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421015943 270000581 /nfs/dbraw/zinc/00/05/81/270000581.db2.gz ITEMUKDCVGLNDS-AWEZNQCLSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)s1 ZINC000421199389 270000852 /nfs/dbraw/zinc/00/08/52/270000852.db2.gz KORMESGSVJFLMH-MRXNPFEDSA-N 1 2 311.410 2.729 20 30 DFEDLO N#Cc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000450378996 270001254 /nfs/dbraw/zinc/00/12/54/270001254.db2.gz NKPJJHJPBXIGHO-CQSZACIVSA-N 1 2 310.313 2.519 20 30 DFEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000533308959 270002676 /nfs/dbraw/zinc/00/26/76/270002676.db2.gz SVEDVODBHHRLME-INIZCTEOSA-N 1 2 300.333 2.529 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)CC2)c1 ZINC000533401435 270002809 /nfs/dbraw/zinc/00/28/09/270002809.db2.gz JXSCMDOWLAZWJF-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)CC2)c1 ZINC000533401435 270002810 /nfs/dbraw/zinc/00/28/10/270002810.db2.gz JXSCMDOWLAZWJF-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO C[C@@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000533467090 270002953 /nfs/dbraw/zinc/00/29/53/270002953.db2.gz VWYNFFOPGAJKCY-CJNGLKHVSA-N 1 2 323.400 2.693 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000534468318 270003172 /nfs/dbraw/zinc/00/31/72/270003172.db2.gz AZVAWWCKFNGOMR-OAHLLOKOSA-N 1 2 316.401 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000534468318 270003173 /nfs/dbraw/zinc/00/31/73/270003173.db2.gz AZVAWWCKFNGOMR-OAHLLOKOSA-N 1 2 316.401 2.592 20 30 DFEDLO CCC[N@H+](Cc1oncc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000351851828 266052063 /nfs/dbraw/zinc/05/20/63/266052063.db2.gz ADMFDAOKLDDANI-UHFFFAOYSA-N 1 2 313.357 2.745 20 30 DFEDLO CCC[N@@H+](Cc1oncc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000351851828 266052067 /nfs/dbraw/zinc/05/20/67/266052067.db2.gz ADMFDAOKLDDANI-UHFFFAOYSA-N 1 2 313.357 2.745 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1 ZINC000344342839 267003577 /nfs/dbraw/zinc/00/35/77/267003577.db2.gz BXOLFYMZZOPVFA-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1 ZINC000344342839 267003580 /nfs/dbraw/zinc/00/35/80/267003580.db2.gz BXOLFYMZZOPVFA-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000348175929 267068066 /nfs/dbraw/zinc/06/80/66/267068066.db2.gz PJBXWAXFTJMQNB-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000348175929 267068068 /nfs/dbraw/zinc/06/80/68/267068068.db2.gz PJBXWAXFTJMQNB-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000521742271 267070042 /nfs/dbraw/zinc/07/00/42/267070042.db2.gz QPJFBZOSCLXAAP-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000521742271 267070045 /nfs/dbraw/zinc/07/00/45/267070045.db2.gz QPJFBZOSCLXAAP-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@H+](Cc1nc(C(=O)OC)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000450286761 267072801 /nfs/dbraw/zinc/07/28/01/267072801.db2.gz PWZYXCUFQHMHRP-GFCCVEGCSA-N 1 2 313.357 2.916 20 30 DFEDLO CC[N@@H+](Cc1nc(C(=O)OC)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000450286761 267072804 /nfs/dbraw/zinc/07/28/04/267072804.db2.gz PWZYXCUFQHMHRP-GFCCVEGCSA-N 1 2 313.357 2.916 20 30 DFEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346151301 267185933 /nfs/dbraw/zinc/18/59/33/267185933.db2.gz DZUWOAFZJKCTGN-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000368056350 267186001 /nfs/dbraw/zinc/18/60/01/267186001.db2.gz LGQXBMMKKLSJAK-NSHDSACASA-N 1 2 324.413 2.661 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491839 267233256 /nfs/dbraw/zinc/23/32/56/267233256.db2.gz JQFIQQKHDWFPDE-OCCSQVGLSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491839 267233259 /nfs/dbraw/zinc/23/32/59/267233259.db2.gz JQFIQQKHDWFPDE-OCCSQVGLSA-N 1 2 319.405 2.596 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000455461311 267257040 /nfs/dbraw/zinc/25/70/40/267257040.db2.gz VSUKPSJYVWVUOC-ZDUSSCGKSA-N 1 2 311.389 2.677 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000454352556 267257212 /nfs/dbraw/zinc/25/72/12/267257212.db2.gz WHOZNIOEBFJDHO-CHWSQXEVSA-N 1 2 311.389 2.896 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000455456774 267257766 /nfs/dbraw/zinc/25/77/66/267257766.db2.gz PXZZAHXVNNMIQC-ZDUSSCGKSA-N 1 2 311.389 2.677 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(C#N)cc1Cl ZINC000414134002 267303884 /nfs/dbraw/zinc/30/38/84/267303884.db2.gz DJWGCKLFNIZLNP-GFCCVEGCSA-N 1 2 309.822 2.510 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(C#N)cc1Cl ZINC000414134002 267303885 /nfs/dbraw/zinc/30/38/85/267303885.db2.gz DJWGCKLFNIZLNP-GFCCVEGCSA-N 1 2 309.822 2.510 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450481523 267322159 /nfs/dbraw/zinc/32/21/59/267322159.db2.gz AZVNTHUZTROAMH-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(O)c1 ZINC000530905431 267324209 /nfs/dbraw/zinc/32/42/09/267324209.db2.gz JGMPJWVZDRIGEG-UHFFFAOYSA-N 1 2 320.352 2.946 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(O)c1 ZINC000530905431 267324213 /nfs/dbraw/zinc/32/42/13/267324213.db2.gz JGMPJWVZDRIGEG-UHFFFAOYSA-N 1 2 320.352 2.946 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000007911578 425654084 /nfs/dbraw/zinc/65/40/84/425654084.db2.gz IZSUZGRWQVAVCV-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000007911578 425654088 /nfs/dbraw/zinc/65/40/88/425654088.db2.gz IZSUZGRWQVAVCV-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(F)c1 ZINC000007843525 425654786 /nfs/dbraw/zinc/65/47/86/425654786.db2.gz QMZZMUIESXJBTH-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(F)c1 ZINC000007843525 425654790 /nfs/dbraw/zinc/65/47/90/425654790.db2.gz QMZZMUIESXJBTH-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188336222 267898365 /nfs/dbraw/zinc/89/83/65/267898365.db2.gz IVFHUFUPTMVIBH-UHFFFAOYSA-N 1 2 318.336 2.917 20 30 DFEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046518995 425865817 /nfs/dbraw/zinc/86/58/17/425865817.db2.gz VAIGRJBVVATXTI-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046518995 425865818 /nfs/dbraw/zinc/86/58/18/425865818.db2.gz VAIGRJBVVATXTI-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO Cc1cc(CNc2ccc[nH+]c2N2CCC(O)CC2)ccc1C#N ZINC000444000602 268000384 /nfs/dbraw/zinc/00/03/84/268000384.db2.gz WKAYDFFIUNKYNE-UHFFFAOYSA-N 1 2 322.412 2.835 20 30 DFEDLO Cc1ccn2cc(CNC(=O)/C=C/c3ccc(C#N)cc3)[nH+]c2c1 ZINC000491250018 268062812 /nfs/dbraw/zinc/06/28/12/268062812.db2.gz NRNZYNYPZUBQTI-VOTSOKGWSA-N 1 2 316.364 2.844 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc3c(c1C#N)CCC3)CCC2 ZINC000521229103 268069491 /nfs/dbraw/zinc/06/94/91/268069491.db2.gz UKAKHJZSNQSPKG-CQSZACIVSA-N 1 2 307.401 2.936 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2n1C ZINC000525217446 268079290 /nfs/dbraw/zinc/07/92/90/268079290.db2.gz CVDYQELBKBOESQ-UHFFFAOYSA-N 1 2 304.353 2.935 20 30 DFEDLO Cn1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(C(C)(C)C)n1 ZINC000459621351 268127858 /nfs/dbraw/zinc/12/78/58/268127858.db2.gz WOOBVGOYVIROAO-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416392148 268135739 /nfs/dbraw/zinc/13/57/39/268135739.db2.gz SFMYOKUIPUMMFT-HNNXBMFYSA-N 1 2 304.357 2.724 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000428300596 268163165 /nfs/dbraw/zinc/16/31/65/268163165.db2.gz HUNGVQGIBQDHSB-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000428300596 268163167 /nfs/dbraw/zinc/16/31/67/268163167.db2.gz HUNGVQGIBQDHSB-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425508396 268180843 /nfs/dbraw/zinc/18/08/43/268180843.db2.gz NNMKKDIYMRMUTG-OAHLLOKOSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425508396 268180846 /nfs/dbraw/zinc/18/08/46/268180846.db2.gz NNMKKDIYMRMUTG-OAHLLOKOSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528782379 268181303 /nfs/dbraw/zinc/18/13/03/268181303.db2.gz JDAMGERGMOSVBB-SIFCLUCFSA-N 1 2 308.834 2.697 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528782379 268181306 /nfs/dbraw/zinc/18/13/06/268181306.db2.gz JDAMGERGMOSVBB-SIFCLUCFSA-N 1 2 308.834 2.697 20 30 DFEDLO N#Cc1ccc(C2(C(=O)Nc3c[nH+]c4n3CCCC4)CC2)cc1 ZINC000452335453 268209705 /nfs/dbraw/zinc/20/97/05/268209705.db2.gz QIGOOQKQOPTJRK-UHFFFAOYSA-N 1 2 306.369 2.761 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(F)c1 ZINC000270850001 268226465 /nfs/dbraw/zinc/22/64/65/268226465.db2.gz GQRIUBFVQZHPGM-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000421910579 268230770 /nfs/dbraw/zinc/23/07/70/268230770.db2.gz GLXAMFOOWHZCJL-MRXNPFEDSA-N 1 2 311.410 2.510 20 30 DFEDLO N#Cc1ccc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000421910579 268230774 /nfs/dbraw/zinc/23/07/74/268230774.db2.gz GLXAMFOOWHZCJL-MRXNPFEDSA-N 1 2 311.410 2.510 20 30 DFEDLO N#Cc1cccc(CC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000530675291 268274181 /nfs/dbraw/zinc/27/41/81/268274181.db2.gz YMDGCGRPDOUACD-UHFFFAOYSA-N 1 2 308.385 2.504 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489261065 268285225 /nfs/dbraw/zinc/28/52/25/268285225.db2.gz HHPKDNJXYFNEBX-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489261065 268285226 /nfs/dbraw/zinc/28/52/26/268285226.db2.gz HHPKDNJXYFNEBX-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124767976 425937844 /nfs/dbraw/zinc/93/78/44/425937844.db2.gz XEYBVYDIGQUFCI-MRXNPFEDSA-N 1 2 302.374 2.507 20 30 DFEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124767976 425937847 /nfs/dbraw/zinc/93/78/47/425937847.db2.gz XEYBVYDIGQUFCI-MRXNPFEDSA-N 1 2 302.374 2.507 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000157637814 425938657 /nfs/dbraw/zinc/93/86/57/425938657.db2.gz PASFAOOJDVNRBI-JKSUJKDBSA-N 1 2 301.434 2.905 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000157637814 425938662 /nfs/dbraw/zinc/93/86/62/425938662.db2.gz PASFAOOJDVNRBI-JKSUJKDBSA-N 1 2 301.434 2.905 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157887681 425939066 /nfs/dbraw/zinc/93/90/66/425939066.db2.gz HKXAGFABLYLDNJ-CQSZACIVSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157887681 425939068 /nfs/dbraw/zinc/93/90/68/425939068.db2.gz HKXAGFABLYLDNJ-CQSZACIVSA-N 1 2 304.409 2.997 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000125602289 425981673 /nfs/dbraw/zinc/98/16/73/425981673.db2.gz JBCZDKUONFROQN-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000125602289 425981676 /nfs/dbraw/zinc/98/16/76/425981676.db2.gz JBCZDKUONFROQN-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1n1cc[nH+]c1 ZINC000126075957 426004445 /nfs/dbraw/zinc/00/44/45/426004445.db2.gz YDXBENMOXMWOOM-GOEBONIOSA-N 1 2 324.384 2.509 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000157949282 425941007 /nfs/dbraw/zinc/94/10/07/425941007.db2.gz GNJZKJWSILKDJD-CYBMUJFWSA-N 1 2 301.415 2.722 20 30 DFEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158187948 425941197 /nfs/dbraw/zinc/94/11/97/425941197.db2.gz JVGIJHJRTPAFTI-UHFFFAOYSA-N 1 2 315.373 2.744 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1C ZINC000125530906 425977630 /nfs/dbraw/zinc/97/76/30/425977630.db2.gz YQRIMSREPIMSTR-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1C ZINC000125530906 425977633 /nfs/dbraw/zinc/97/76/33/425977633.db2.gz YQRIMSREPIMSTR-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000126629227 426028331 /nfs/dbraw/zinc/02/83/31/426028331.db2.gz MUDGBTHMOQGBED-ZIAGYGMSSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000126629227 426028334 /nfs/dbraw/zinc/02/83/34/426028334.db2.gz MUDGBTHMOQGBED-ZIAGYGMSSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000126913556 426041878 /nfs/dbraw/zinc/04/18/78/426041878.db2.gz KDCACGXTQQHRET-DOTOQJQBSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126913556 426041879 /nfs/dbraw/zinc/04/18/79/426041879.db2.gz KDCACGXTQQHRET-DOTOQJQBSA-N 1 2 322.836 2.794 20 30 DFEDLO C#CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CCCC1 ZINC000162243158 426057686 /nfs/dbraw/zinc/05/76/86/426057686.db2.gz FUFFZOUCLHTCIG-UHFFFAOYSA-N 1 2 315.442 2.979 20 30 DFEDLO C#CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CCCC1 ZINC000162243158 426057688 /nfs/dbraw/zinc/05/76/88/426057688.db2.gz FUFFZOUCLHTCIG-UHFFFAOYSA-N 1 2 315.442 2.979 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000072051325 426008568 /nfs/dbraw/zinc/00/85/68/426008568.db2.gz NYUNDJNXGCHMJA-UHFFFAOYSA-N 1 2 313.382 2.834 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccccc1 ZINC000072692259 426019200 /nfs/dbraw/zinc/01/92/00/426019200.db2.gz FEGMARUXSWMILD-UHFFFAOYSA-N 1 2 316.405 2.596 20 30 DFEDLO 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301.390 2.626 20 30 DFEDLO C=CCOc1ccc(CN(C)Cc2[nH+]ccn2C)cc1OC ZINC000273688173 426709124 /nfs/dbraw/zinc/70/91/24/426709124.db2.gz ARWHPEOFMWDVLY-UHFFFAOYSA-N 1 2 301.390 2.626 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)C1=O ZINC000281349915 426714700 /nfs/dbraw/zinc/71/47/00/426714700.db2.gz NAGHBCUZOPEHLH-HNNXBMFYSA-N 1 2 311.385 2.560 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)C1=O ZINC000281349915 426714706 /nfs/dbraw/zinc/71/47/06/426714706.db2.gz NAGHBCUZOPEHLH-HNNXBMFYSA-N 1 2 311.385 2.560 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000281383044 426716454 /nfs/dbraw/zinc/71/64/54/426716454.db2.gz NUJKSHOSNJSQFQ-RHSMWYFYSA-N 1 2 310.401 2.890 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1cnn2C ZINC000178786576 426695405 /nfs/dbraw/zinc/69/54/05/426695405.db2.gz UGDLYEQEJSWBTQ-UHFFFAOYSA-N 1 2 306.373 2.652 20 30 DFEDLO C=CCC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000188268222 426737502 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304.390 2.586 20 30 DFEDLO CC#CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000277332649 427168089 /nfs/dbraw/zinc/16/80/89/427168089.db2.gz GNIVFCGAFKVXRM-AWEZNQCLSA-N 1 2 308.784 2.756 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333739703 271387853 /nfs/dbraw/zinc/38/78/53/271387853.db2.gz VMNZONQBEHZXQZ-RHSMWYFYSA-N 1 2 318.442 2.520 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333739703 271387860 /nfs/dbraw/zinc/38/78/60/271387860.db2.gz VMNZONQBEHZXQZ-RHSMWYFYSA-N 1 2 318.442 2.520 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000285456733 427236614 /nfs/dbraw/zinc/23/66/14/427236614.db2.gz YZKOPPPIFNDTDM-GFCCVEGCSA-N 1 2 314.776 2.955 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000338304821 427249544 /nfs/dbraw/zinc/24/95/44/427249544.db2.gz IBMVJXZZAYECRW-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000338304821 427249550 /nfs/dbraw/zinc/24/95/50/427249550.db2.gz IBMVJXZZAYECRW-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ccc(C#N)cc1Br ZINC000191102859 427257713 /nfs/dbraw/zinc/25/77/13/427257713.db2.gz NABGZKHDXJSGDL-UHFFFAOYSA-N 1 2 309.207 2.955 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ccc(C#N)cc1Br ZINC000191102859 427257718 /nfs/dbraw/zinc/25/77/18/427257718.db2.gz NABGZKHDXJSGDL-UHFFFAOYSA-N 1 2 309.207 2.955 20 30 DFEDLO C[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330535488 427261257 /nfs/dbraw/zinc/26/12/57/427261257.db2.gz OXGCCEZSADNYFK-JTQLQIEISA-N 1 2 304.316 2.591 20 30 DFEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330567173 427266655 /nfs/dbraw/zinc/26/66/55/427266655.db2.gz MSHFEVBLPCBDHZ-RKVPGOIHSA-N 1 2 314.433 2.598 20 30 DFEDLO CCc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC000330610701 427271963 /nfs/dbraw/zinc/27/19/63/427271963.db2.gz USIUHOJGTYAJRB-UHFFFAOYSA-N 1 2 319.449 2.994 20 30 DFEDLO CCc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C ZINC000330610701 427271970 /nfs/dbraw/zinc/27/19/70/427271970.db2.gz USIUHOJGTYAJRB-UHFFFAOYSA-N 1 2 319.449 2.994 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)c2ccc(C#N)[nH]2)c1)[NH+]1CCOCC1 ZINC000269763155 427272972 /nfs/dbraw/zinc/27/29/72/427272972.db2.gz ZHZFDVLCJMHTPO-ZDUSSCGKSA-N 1 2 324.384 2.532 20 30 DFEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000330792811 427305845 /nfs/dbraw/zinc/30/58/45/427305845.db2.gz DPUJOBXUYGCZIQ-CYBMUJFWSA-N 1 2 307.394 2.637 20 30 DFEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000330792811 427305853 /nfs/dbraw/zinc/30/58/53/427305853.db2.gz DPUJOBXUYGCZIQ-CYBMUJFWSA-N 1 2 307.394 2.637 20 30 DFEDLO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330972760 427322415 /nfs/dbraw/zinc/32/24/15/427322415.db2.gz SFPAOEKXECGXGZ-UHFFFAOYSA-N 1 2 321.377 2.868 20 30 DFEDLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000330993536 427323541 /nfs/dbraw/zinc/32/35/41/427323541.db2.gz NLUYRHGLPGDDLE-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO Cc1cccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000330993536 427323547 /nfs/dbraw/zinc/32/35/47/427323547.db2.gz NLUYRHGLPGDDLE-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO Cc1[nH]c(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c[nH+]1 ZINC000330986754 427324168 /nfs/dbraw/zinc/32/41/68/427324168.db2.gz GEWHCMYLNRBAJI-VIFPVBQESA-N 1 2 318.343 2.686 20 30 DFEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000293462396 427331894 /nfs/dbraw/zinc/33/18/94/427331894.db2.gz QIBBIHYLEJNWIZ-GFCCVEGCSA-N 1 2 312.373 2.568 20 30 DFEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000293462396 427331901 /nfs/dbraw/zinc/33/19/01/427331901.db2.gz QIBBIHYLEJNWIZ-GFCCVEGCSA-N 1 2 312.373 2.568 20 30 DFEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331048991 427332125 /nfs/dbraw/zinc/33/21/25/427332125.db2.gz WQXRUIQCYXDFPP-KKUMJFAQSA-N 1 2 321.469 2.827 20 30 DFEDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000331141881 427353771 /nfs/dbraw/zinc/35/37/71/427353771.db2.gz UQCRMSKBADUPCF-GFCCVEGCSA-N 1 2 319.836 2.948 20 30 DFEDLO CCc1nnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C#N)c1CC ZINC000269850599 427292889 /nfs/dbraw/zinc/29/28/89/427292889.db2.gz FOIFTZQEJGCPAW-CYBMUJFWSA-N 1 2 322.416 2.559 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H](C)CC ZINC000183583056 427295777 /nfs/dbraw/zinc/29/57/77/427295777.db2.gz JLUDBQCQGVFOER-BLLLJJGKSA-N 1 2 304.390 2.634 20 30 DFEDLO Cc1ccc(Cl)c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000331256289 427383867 /nfs/dbraw/zinc/38/38/67/427383867.db2.gz ZIYLQVRDHPEMKH-LBPRGKRZSA-N 1 2 311.813 2.613 20 30 DFEDLO Cc1ccc(Cl)c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000331256289 427383872 /nfs/dbraw/zinc/38/38/72/427383872.db2.gz ZIYLQVRDHPEMKH-LBPRGKRZSA-N 1 2 311.813 2.613 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3sccc3Cl)CC2)n1 ZINC000338566739 427385207 /nfs/dbraw/zinc/38/52/07/427385207.db2.gz GZKOUWHLMBTVFL-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000271181650 427435915 /nfs/dbraw/zinc/43/59/15/427435915.db2.gz HSVXZVPPBCNVGX-OKHZJLECSA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000271181650 427435922 /nfs/dbraw/zinc/43/59/22/427435922.db2.gz HSVXZVPPBCNVGX-OKHZJLECSA-N 1 2 323.458 2.601 20 30 DFEDLO CCn1c2ccccc2[nH+]c1CCNc1nc(C)cc(C#N)n1 ZINC000286348062 427500649 /nfs/dbraw/zinc/50/06/49/427500649.db2.gz RDOUGUGHHFHMKT-UHFFFAOYSA-N 1 2 306.373 2.681 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 ZINC000279003110 427528102 /nfs/dbraw/zinc/52/81/02/427528102.db2.gz RKDZXUFVBGVLFG-UHFFFAOYSA-N 1 2 322.408 2.836 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000298209947 427537013 /nfs/dbraw/zinc/53/70/13/427537013.db2.gz UOXMTNWZNBZDDG-UHFFFAOYSA-N 1 2 323.400 2.649 20 30 DFEDLO CO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287267213 427565211 /nfs/dbraw/zinc/56/52/11/427565211.db2.gz LCZHJWOFICHJIF-AWEZNQCLSA-N 1 2 309.207 2.932 20 30 DFEDLO CO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287267213 427565219 /nfs/dbraw/zinc/56/52/19/427565219.db2.gz LCZHJWOFICHJIF-AWEZNQCLSA-N 1 2 309.207 2.932 20 30 DFEDLO CCc1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123728 427567104 /nfs/dbraw/zinc/56/71/04/427567104.db2.gz LXYCRLVJUDZNRW-SWLSCSKDSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123728 427567110 /nfs/dbraw/zinc/56/71/10/427567110.db2.gz LXYCRLVJUDZNRW-SWLSCSKDSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000339009144 427622935 /nfs/dbraw/zinc/62/29/35/427622935.db2.gz IEQFLFMWIXVESE-HZSPNIEDSA-N 1 2 306.410 2.927 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000339009144 427622941 /nfs/dbraw/zinc/62/29/41/427622941.db2.gz IEQFLFMWIXVESE-HZSPNIEDSA-N 1 2 306.410 2.927 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263782622 427570787 /nfs/dbraw/zinc/57/07/87/427570787.db2.gz YZTBDYVAIKWHML-SFHVURJKSA-N 1 2 316.445 2.657 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263782622 427570792 /nfs/dbraw/zinc/57/07/92/427570792.db2.gz YZTBDYVAIKWHML-SFHVURJKSA-N 1 2 316.445 2.657 20 30 DFEDLO CCOC1(C)CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000298336690 427574232 /nfs/dbraw/zinc/57/42/32/427574232.db2.gz RXZLIDUZAYPWPB-MRXNPFEDSA-N 1 2 316.401 2.663 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000287344734 427583726 /nfs/dbraw/zinc/58/37/26/427583726.db2.gz PBHITGQUOIMITB-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000287344730 427584246 /nfs/dbraw/zinc/58/42/46/427584246.db2.gz PBHITGQUOIMITB-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332352006 427587664 /nfs/dbraw/zinc/58/76/64/427587664.db2.gz SRXSXCWNIVJAJQ-LLVKDONJSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332352006 427587673 /nfs/dbraw/zinc/58/76/73/427587673.db2.gz SRXSXCWNIVJAJQ-LLVKDONJSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332352006 427587678 /nfs/dbraw/zinc/58/76/78/427587678.db2.gz SRXSXCWNIVJAJQ-LLVKDONJSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332352006 427587685 /nfs/dbraw/zinc/58/76/85/427587685.db2.gz SRXSXCWNIVJAJQ-LLVKDONJSA-N 1 2 318.764 2.680 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264066082 427650063 /nfs/dbraw/zinc/65/00/63/427650063.db2.gz MUTLEYRGJLMMKX-UHFFFAOYSA-N 1 2 308.385 2.697 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(C4CC4)no3)CC2)cc1 ZINC000264078998 427652753 /nfs/dbraw/zinc/65/27/53/427652753.db2.gz DAORGWBMEUITOI-UHFFFAOYSA-N 1 2 324.384 2.862 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)on1 ZINC000264114191 427659994 /nfs/dbraw/zinc/65/99/94/427659994.db2.gz MYUNQKGFAOEXRB-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344207914 272287691 /nfs/dbraw/zinc/28/76/91/272287691.db2.gz HDMBRSJVKDKHFP-UHFFFAOYSA-N 1 2 315.304 2.904 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000287735053 427682761 /nfs/dbraw/zinc/68/27/61/427682761.db2.gz KWINGPKFDFRKIG-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000287735053 427682767 /nfs/dbraw/zinc/68/27/67/427682767.db2.gz KWINGPKFDFRKIG-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccco3)CC1)CCCC2 ZINC000287763386 427687729 /nfs/dbraw/zinc/68/77/29/427687729.db2.gz JGMPMBSAQXCEEC-UHFFFAOYSA-N 1 2 322.412 2.747 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(CCC)c2C)n1 ZINC000279500229 427688287 /nfs/dbraw/zinc/68/82/87/427688287.db2.gz ZFGJOOULBNUHTB-UHFFFAOYSA-N 1 2 313.449 2.762 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(CCC)c2C)n1 ZINC000279500229 427688289 /nfs/dbraw/zinc/68/82/89/427688289.db2.gz ZFGJOOULBNUHTB-UHFFFAOYSA-N 1 2 313.449 2.762 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000339122834 427688268 /nfs/dbraw/zinc/68/82/68/427688268.db2.gz IIAUJUOWKQYGTL-OAHLLOKOSA-N 1 2 321.421 2.693 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000339122834 427688273 /nfs/dbraw/zinc/68/82/73/427688273.db2.gz IIAUJUOWKQYGTL-OAHLLOKOSA-N 1 2 321.421 2.693 20 30 DFEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000298787468 427704731 /nfs/dbraw/zinc/70/47/31/427704731.db2.gz CJTXRGJMMAGDAF-UHFFFAOYSA-N 1 2 313.426 2.758 20 30 DFEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000298787468 427704734 /nfs/dbraw/zinc/70/47/34/427704734.db2.gz CJTXRGJMMAGDAF-UHFFFAOYSA-N 1 2 313.426 2.758 20 30 DFEDLO CCc1nc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000299173692 427758664 /nfs/dbraw/zinc/75/86/64/427758664.db2.gz ZFMQKHNGTWIHQZ-UHFFFAOYSA-N 1 2 312.442 2.899 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000336889633 427771784 /nfs/dbraw/zinc/77/17/84/427771784.db2.gz GNJAUCVBKKIPHG-UHFFFAOYSA-N 1 2 320.234 2.995 20 30 DFEDLO N#Cc1ccc2ncc(C[NH2+]Cc3c(F)cc(F)cc3F)n2c1 ZINC000339522601 427788492 /nfs/dbraw/zinc/78/84/92/427788492.db2.gz CGFIYMUJTGTDHQ-UHFFFAOYSA-N 1 2 316.286 2.913 20 30 DFEDLO N#CCCOCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000339198561 427727503 /nfs/dbraw/zinc/72/75/03/427727503.db2.gz LGYCPNDFRBKSPB-AWEZNQCLSA-N 1 2 304.394 2.794 20 30 DFEDLO N#CCCOCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000339198561 427727508 /nfs/dbraw/zinc/72/75/08/427727508.db2.gz LGYCPNDFRBKSPB-AWEZNQCLSA-N 1 2 304.394 2.794 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186039322 427742715 /nfs/dbraw/zinc/74/27/15/427742715.db2.gz NDYPDBIEPZKVKE-UHFFFAOYSA-N 1 2 321.384 2.697 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000339270152 427746220 /nfs/dbraw/zinc/74/62/20/427746220.db2.gz GRMCNCZFKBGTTK-MRXNPFEDSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000339270152 427746223 /nfs/dbraw/zinc/74/62/23/427746223.db2.gz GRMCNCZFKBGTTK-MRXNPFEDSA-N 1 2 319.836 2.948 20 30 DFEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000301363508 427791718 /nfs/dbraw/zinc/79/17/18/427791718.db2.gz RINPQKYDEWAPEP-UHFFFAOYSA-N 1 2 315.380 2.828 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc(C)cs2)C1=O ZINC000337121438 427801587 /nfs/dbraw/zinc/80/15/87/427801587.db2.gz AJWRWLATNIVTAO-KGLIPLIRSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc(C)cs2)C1=O ZINC000337121438 427801589 /nfs/dbraw/zinc/80/15/89/427801589.db2.gz AJWRWLATNIVTAO-KGLIPLIRSA-N 1 2 305.447 2.765 20 30 DFEDLO N#Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000301634934 427811208 /nfs/dbraw/zinc/81/12/08/427811208.db2.gz KWOZCCNKOHSQHV-LBPRGKRZSA-N 1 2 300.749 2.659 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](CC)c1ccccc1OCC ZINC000339751878 427822445 /nfs/dbraw/zinc/82/24/45/427822445.db2.gz BSBMZXPDCGIXQG-MRXNPFEDSA-N 1 2 302.418 2.608 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@H](CC)c1ccccc1OCC ZINC000339751878 427822447 /nfs/dbraw/zinc/82/24/47/427822447.db2.gz BSBMZXPDCGIXQG-MRXNPFEDSA-N 1 2 302.418 2.608 20 30 DFEDLO CCn1cnnc1[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301771380 427822788 /nfs/dbraw/zinc/82/27/88/427822788.db2.gz JIUPELSIZLZQLV-AWEZNQCLSA-N 1 2 310.405 2.566 20 30 DFEDLO Cc1ccc(NC(=O)CCNc2cc(C)[nH+]c(C)c2C#N)nc1 ZINC000301805171 427826347 /nfs/dbraw/zinc/82/63/47/427826347.db2.gz XOKDOJRNKLQHNA-UHFFFAOYSA-N 1 2 309.373 2.714 20 30 DFEDLO N#Cc1ccccc1N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301849732 427829589 /nfs/dbraw/zinc/82/95/89/427829589.db2.gz AQDFICFHFMBTIA-UHFFFAOYSA-N 1 2 303.369 2.761 20 30 DFEDLO Cc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000301918478 427840723 /nfs/dbraw/zinc/84/07/23/427840723.db2.gz HXXUVSDSILYXCW-UHFFFAOYSA-N 1 2 309.373 2.854 20 30 DFEDLO N#Cc1cc2c(nc1N[C@@H]1CCN(c3cccc[nH+]3)C1)CCCC2 ZINC000301944666 427843780 /nfs/dbraw/zinc/84/37/80/427843780.db2.gz WWAUGMUBKOVFGP-MRXNPFEDSA-N 1 2 319.412 2.918 20 30 DFEDLO N#Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000302748211 427863695 /nfs/dbraw/zinc/86/36/95/427863695.db2.gz UGXONNWOYUZZGJ-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302870223 427884315 /nfs/dbraw/zinc/88/43/15/427884315.db2.gz BJAKUPYMABGPJA-HNNXBMFYSA-N 1 2 317.396 2.708 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000345834611 427925936 /nfs/dbraw/zinc/92/59/36/427925936.db2.gz LEJKJWRQUQGLEJ-OIISXLGYSA-N 1 2 320.820 2.573 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000345834611 427925939 /nfs/dbraw/zinc/92/59/39/427925939.db2.gz LEJKJWRQUQGLEJ-OIISXLGYSA-N 1 2 320.820 2.573 20 30 DFEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccccc1 ZINC000337567456 427961903 /nfs/dbraw/zinc/96/19/03/427961903.db2.gz BUAGCWHDTWXIOV-LPHOPBHVSA-N 1 2 321.424 2.914 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000345976707 427973079 /nfs/dbraw/zinc/97/30/79/427973079.db2.gz OMUFWCKQSXHMPM-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000345976707 427973083 /nfs/dbraw/zinc/97/30/83/427973083.db2.gz OMUFWCKQSXHMPM-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000345919982 427953037 /nfs/dbraw/zinc/95/30/37/427953037.db2.gz ATNQNSIISWFDIB-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000345919982 427953041 /nfs/dbraw/zinc/95/30/41/427953041.db2.gz ATNQNSIISWFDIB-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)no1 ZINC000356195940 428062292 /nfs/dbraw/zinc/06/22/92/428062292.db2.gz RKLCULSYGXFYKY-NSHDSACASA-N 1 2 317.418 2.901 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)no1 ZINC000356195940 428062296 /nfs/dbraw/zinc/06/22/96/428062296.db2.gz RKLCULSYGXFYKY-NSHDSACASA-N 1 2 317.418 2.901 20 30 DFEDLO N#Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000377100516 428056794 /nfs/dbraw/zinc/05/67/94/428056794.db2.gz ADGZNWYCOVNODA-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369787298 428059691 /nfs/dbraw/zinc/05/96/91/428059691.db2.gz NYSYGABJXBMKGK-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369787298 428059695 /nfs/dbraw/zinc/05/96/95/428059695.db2.gz NYSYGABJXBMKGK-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCNC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000369564940 428001197 /nfs/dbraw/zinc/00/11/97/428001197.db2.gz LBVHLWABSKMIHY-UHFFFAOYSA-N 1 2 306.356 2.746 20 30 DFEDLO N#Cc1cccc(CCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000359930613 428080646 /nfs/dbraw/zinc/08/06/46/428080646.db2.gz SKYSORZSWKANEZ-UHFFFAOYSA-N 1 2 307.401 2.993 20 30 DFEDLO N#Cc1cccc(CCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000359930613 428080650 /nfs/dbraw/zinc/08/06/50/428080650.db2.gz SKYSORZSWKANEZ-UHFFFAOYSA-N 1 2 307.401 2.993 20 30 DFEDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C#N)cs1 ZINC000356298249 428112395 /nfs/dbraw/zinc/11/23/95/428112395.db2.gz GMGLHOJTAFAOCO-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C#N)cs1 ZINC000356298249 428112401 /nfs/dbraw/zinc/11/24/01/428112401.db2.gz GMGLHOJTAFAOCO-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO C[N@H+](Cc1ccoc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976820 428121052 /nfs/dbraw/zinc/12/10/52/428121052.db2.gz CFICWLPUHQDYDT-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccoc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976820 428121055 /nfs/dbraw/zinc/12/10/55/428121055.db2.gz CFICWLPUHQDYDT-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)s2)C(N)=O)cc1 ZINC000360063178 428139880 /nfs/dbraw/zinc/13/98/80/428139880.db2.gz ZYXBCZQWRHXUPA-ZDUSSCGKSA-N 1 2 305.790 2.589 20 30 DFEDLO CCn1nccc1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356394140 428159835 /nfs/dbraw/zinc/15/98/35/428159835.db2.gz MCOSAEVVKSGFTC-UHFFFAOYSA-N 1 2 301.419 2.611 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 ZINC000341710009 428164163 /nfs/dbraw/zinc/16/41/63/428164163.db2.gz VPCHQAFPQSZMEP-SJORKVTESA-N 1 2 322.412 2.760 20 30 DFEDLO C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000360141649 428178485 /nfs/dbraw/zinc/17/84/85/428178485.db2.gz MAUPERNTLFOAMG-ZDUSSCGKSA-N 1 2 308.385 2.511 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000414097356 428205962 /nfs/dbraw/zinc/20/59/62/428205962.db2.gz RRRNVRFJBXGNDX-SECBINFHSA-N 1 2 319.361 2.791 20 30 DFEDLO C=C(CNC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000360209688 428206581 /nfs/dbraw/zinc/20/65/81/428206581.db2.gz RDFOVXRIXAESAE-UHFFFAOYSA-N 1 2 308.372 2.793 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000370464202 428214927 /nfs/dbraw/zinc/21/49/27/428214927.db2.gz UVPWPWWHYQNBSV-UHFFFAOYSA-N 1 2 306.325 2.575 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000360161018 428187965 /nfs/dbraw/zinc/18/79/65/428187965.db2.gz DVMKSBGXNOXARW-BBRMVZONSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000370408107 428203799 /nfs/dbraw/zinc/20/37/99/428203799.db2.gz YBJCXZAGCVGIBK-KRWDZBQOSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000370408107 428203803 /nfs/dbraw/zinc/20/38/03/428203803.db2.gz YBJCXZAGCVGIBK-KRWDZBQOSA-N 1 2 313.380 2.743 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)n1 ZINC000352825515 428265151 /nfs/dbraw/zinc/26/51/51/428265151.db2.gz UHYBGOGTFGWIPF-UHFFFAOYSA-N 1 2 313.430 2.690 20 30 DFEDLO CC#CCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000360438270 428296037 /nfs/dbraw/zinc/29/60/37/428296037.db2.gz QMVXDLNWVPTHAJ-UHFFFAOYSA-N 1 2 302.399 2.666 20 30 DFEDLO Cn1cc(C#N)cc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356590894 428243493 /nfs/dbraw/zinc/24/34/93/428243493.db2.gz KHITZPMYWDTYOE-UHFFFAOYSA-N 1 2 316.324 2.799 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)CCc3ccc(C#N)cc3)cn2c1 ZINC000342147171 428323915 /nfs/dbraw/zinc/32/39/15/428323915.db2.gz DJIIOLUDRDCXFR-UHFFFAOYSA-N 1 2 318.380 2.763 20 30 DFEDLO C=C[C@@H](CO)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000356853306 428337142 /nfs/dbraw/zinc/33/71/42/428337142.db2.gz HXIHZXOJXDACNC-LBPRGKRZSA-N 1 2 318.760 2.804 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000372003028 428410404 /nfs/dbraw/zinc/41/04/04/428410404.db2.gz LWFVQDZCWCMPFI-MRXNPFEDSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000372003028 428410407 /nfs/dbraw/zinc/41/04/07/428410407.db2.gz LWFVQDZCWCMPFI-MRXNPFEDSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000372003028 428410412 /nfs/dbraw/zinc/41/04/12/428410412.db2.gz LWFVQDZCWCMPFI-MRXNPFEDSA-N 1 2 318.465 2.540 20 30 DFEDLO N#Cc1nc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000378328129 428364984 /nfs/dbraw/zinc/36/49/84/428364984.db2.gz AITCDHARBXERPJ-GFCCVEGCSA-N 1 2 313.792 3.083 20 30 DFEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc(C#N)c1 ZINC000360609271 428365836 /nfs/dbraw/zinc/36/58/36/428365836.db2.gz BBOLNWIWEAITPD-LRDDRELGSA-N 1 2 308.385 2.663 20 30 DFEDLO C=C(C)COCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357032890 428372307 /nfs/dbraw/zinc/37/23/07/428372307.db2.gz XUNIMVOBJKBDOI-INIZCTEOSA-N 1 2 303.381 2.831 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000371342114 428382461 /nfs/dbraw/zinc/38/24/61/428382461.db2.gz UUMCAIWLNFLVFI-AWEZNQCLSA-N 1 2 320.462 2.741 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000371342114 428382466 /nfs/dbraw/zinc/38/24/66/428382466.db2.gz UUMCAIWLNFLVFI-AWEZNQCLSA-N 1 2 320.462 2.741 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000346957102 428385918 /nfs/dbraw/zinc/38/59/18/428385918.db2.gz IAYKRKYLPBYVHN-SNVBAGLBSA-N 1 2 309.772 2.692 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000353106351 428387448 /nfs/dbraw/zinc/38/74/48/428387448.db2.gz BUTSZCHGSDWAEE-UHFFFAOYSA-N 1 2 322.368 2.731 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1c(F)cncc1F ZINC000353224696 428439221 /nfs/dbraw/zinc/43/92/21/428439221.db2.gz CBWDNAKEXJMEHP-SNVBAGLBSA-N 1 2 316.311 2.521 20 30 DFEDLO C[C@@H](NC(=O)c1cnccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000342772690 428450523 /nfs/dbraw/zinc/45/05/23/428450523.db2.gz AUUBWPIJSVWUDJ-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO N#Cc1ccnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1Cl ZINC000342779043 428452597 /nfs/dbraw/zinc/45/25/97/428452597.db2.gz DGGUVLGKJLBIIV-UHFFFAOYSA-N 1 2 315.739 3.277 20 30 DFEDLO COc1cc(NCc2ccc(C#N)cc2)[nH+]cc1Br ZINC000342822378 428464373 /nfs/dbraw/zinc/46/43/73/428464373.db2.gz RIUHNYYNHSGGBI-UHFFFAOYSA-N 1 2 318.174 3.336 20 30 DFEDLO N#C[C@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2ccccc2o1 ZINC000342464500 428429156 /nfs/dbraw/zinc/42/91/56/428429156.db2.gz QTDOKHHVWYIMJT-CYBMUJFWSA-N 1 2 302.293 2.966 20 30 DFEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2ccccc2o1 ZINC000342464500 428429164 /nfs/dbraw/zinc/42/91/64/428429164.db2.gz QTDOKHHVWYIMJT-CYBMUJFWSA-N 1 2 302.293 2.966 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(CCOC)[C@H](CC)C2)cc1 ZINC000353363003 428504567 /nfs/dbraw/zinc/50/45/67/428504567.db2.gz HVTVEIYFOXGRFP-GOSISDBHSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(CCOC)[C@H](CC)C2)cc1 ZINC000353363003 428504570 /nfs/dbraw/zinc/50/45/70/428504570.db2.gz HVTVEIYFOXGRFP-GOSISDBHSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347466804 428583241 /nfs/dbraw/zinc/58/32/41/428583241.db2.gz DLHLFCWKHVJMTP-ZFWWWQNUSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347466804 428583248 /nfs/dbraw/zinc/58/32/48/428583248.db2.gz DLHLFCWKHVJMTP-ZFWWWQNUSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCOc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1OC ZINC000361649279 428584682 /nfs/dbraw/zinc/58/46/82/428584682.db2.gz ZJHKBFMWBSMPPL-KBPBESRZSA-N 1 2 323.458 2.601 20 30 DFEDLO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704474 428556174 /nfs/dbraw/zinc/55/61/74/428556174.db2.gz PUGWLCMOBMDOAQ-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704474 428556176 /nfs/dbraw/zinc/55/61/76/428556176.db2.gz PUGWLCMOBMDOAQ-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CC1 ZINC000353512187 428571593 /nfs/dbraw/zinc/57/15/93/428571593.db2.gz QGRMHSWPEUAROK-AWEZNQCLSA-N 1 2 313.336 2.704 20 30 DFEDLO COc1cc2c(cc1OC)CC[NH+](C[C@@H](C#N)CCC#N)CC2 ZINC000361467109 428571716 /nfs/dbraw/zinc/57/17/16/428571716.db2.gz WYDXGJBHYPVEJB-CQSZACIVSA-N 1 2 313.401 2.548 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC3(CCC3)C2)c(C#N)c1C ZINC000373432181 428574015 /nfs/dbraw/zinc/57/40/15/428574015.db2.gz PHLVYUYLTCAQTP-UHFFFAOYSA-N 1 2 301.390 2.973 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCCC3(CCC3)C2)c(C#N)c1C ZINC000373432181 428574022 /nfs/dbraw/zinc/57/40/22/428574022.db2.gz PHLVYUYLTCAQTP-UHFFFAOYSA-N 1 2 301.390 2.973 20 30 DFEDLO O=C1OCC[C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]12 ZINC000373445827 428579399 /nfs/dbraw/zinc/57/93/99/428579399.db2.gz ARIVSBFXHVKIGW-DZGCQCFKSA-N 1 2 323.314 2.694 20 30 DFEDLO O=C1OCC[C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]12 ZINC000373445827 428579401 /nfs/dbraw/zinc/57/94/01/428579401.db2.gz ARIVSBFXHVKIGW-DZGCQCFKSA-N 1 2 323.314 2.694 20 30 DFEDLO C=C(CC)CN1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000358493154 428604724 /nfs/dbraw/zinc/60/47/24/428604724.db2.gz AGVYBSLROJDBOS-UHFFFAOYSA-N 1 2 304.434 2.658 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000361996663 428607869 /nfs/dbraw/zinc/60/78/69/428607869.db2.gz QJBZRDGPASHEOM-KRWDZBQOSA-N 1 2 304.434 2.731 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000361996663 428607871 /nfs/dbraw/zinc/60/78/71/428607871.db2.gz QJBZRDGPASHEOM-KRWDZBQOSA-N 1 2 304.434 2.731 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000353589782 428609970 /nfs/dbraw/zinc/60/99/70/428609970.db2.gz HOBWGEFTGBWARJ-JKSUJKDBSA-N 1 2 316.355 2.887 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000353589782 428609974 /nfs/dbraw/zinc/60/99/74/428609974.db2.gz HOBWGEFTGBWARJ-JKSUJKDBSA-N 1 2 316.355 2.887 20 30 DFEDLO COc1cc(CNC(=O)Nc2c(C)cc[nH+]c2C)ccc1C#N ZINC000353597619 428615125 /nfs/dbraw/zinc/61/51/25/428615125.db2.gz QDZPKMFVXHJPOM-UHFFFAOYSA-N 1 2 310.357 2.900 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)S1=O ZINC000362089479 428615376 /nfs/dbraw/zinc/61/53/76/428615376.db2.gz IWBPXUSCAJGCBB-KBPBESRZSA-N 1 2 304.459 2.829 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000347694018 428621797 /nfs/dbraw/zinc/62/17/97/428621797.db2.gz SESJEIMFBCCVDB-ONGXEEELSA-N 1 2 318.377 2.656 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000347708725 428621822 /nfs/dbraw/zinc/62/18/22/428621822.db2.gz SAISMFHPJGLRAL-HEHGZKQESA-N 1 2 301.390 2.694 20 30 DFEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000347897444 428630390 /nfs/dbraw/zinc/63/03/90/428630390.db2.gz HVOLTXJMKKSDHW-UHFFFAOYSA-N 1 2 313.311 2.755 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000353629474 428631178 /nfs/dbraw/zinc/63/11/78/428631178.db2.gz FZLCZRONESYKFN-UHFFFAOYSA-N 1 2 310.401 2.736 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000353629474 428631183 /nfs/dbraw/zinc/63/11/83/428631183.db2.gz FZLCZRONESYKFN-UHFFFAOYSA-N 1 2 310.401 2.736 20 30 DFEDLO C=CCCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000344444398 428643259 /nfs/dbraw/zinc/64/32/59/428643259.db2.gz GGZWRXHJNOKETN-UHFFFAOYSA-N 1 2 310.401 3.093 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C ZINC000353665751 428647395 /nfs/dbraw/zinc/64/73/95/428647395.db2.gz PWANFFSXPSXUMB-UHFFFAOYSA-N 1 2 316.445 2.976 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C ZINC000353665751 428647400 /nfs/dbraw/zinc/64/74/00/428647400.db2.gz PWANFFSXPSXUMB-UHFFFAOYSA-N 1 2 316.445 2.976 20 30 DFEDLO Cc1cccc2nc(C[N@@H+](CCC#N)CCC(C)C)cc(=O)n12 ZINC000362174443 428648975 /nfs/dbraw/zinc/64/89/75/428648975.db2.gz YIXZTWKHICWSEV-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1cccc2nc(C[N@H+](CCC#N)CCC(C)C)cc(=O)n12 ZINC000362174443 428648983 /nfs/dbraw/zinc/64/89/83/428648983.db2.gz YIXZTWKHICWSEV-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cs1 ZINC000348326010 428707680 /nfs/dbraw/zinc/70/76/80/428707680.db2.gz ZWMQDRAWRFOXBV-SNVBAGLBSA-N 1 2 300.387 2.613 20 30 DFEDLO COCc1noc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374612826 428713041 /nfs/dbraw/zinc/71/30/41/428713041.db2.gz MZZPODCGGFGEGA-ZDUSSCGKSA-N 1 2 324.384 2.938 20 30 DFEDLO COCc1noc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374612826 428713048 /nfs/dbraw/zinc/71/30/48/428713048.db2.gz MZZPODCGGFGEGA-ZDUSSCGKSA-N 1 2 324.384 2.938 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000348344197 428714060 /nfs/dbraw/zinc/71/40/60/428714060.db2.gz QQSCECWUDSRRHH-INIZCTEOSA-N 1 2 304.353 2.891 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C1=O ZINC000348348453 428716180 /nfs/dbraw/zinc/71/61/80/428716180.db2.gz LHNJEBMTAUBQIU-MRXNPFEDSA-N 1 2 311.385 2.560 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C1=O ZINC000348348453 428716187 /nfs/dbraw/zinc/71/61/87/428716187.db2.gz LHNJEBMTAUBQIU-MRXNPFEDSA-N 1 2 311.385 2.560 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416398262 428731548 /nfs/dbraw/zinc/73/15/48/428731548.db2.gz MIBFWZLWPFVLNM-GUYCJALGSA-N 1 2 323.400 2.520 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)C(F)(F)F ZINC000411191844 428756091 /nfs/dbraw/zinc/75/60/91/428756091.db2.gz KNSZDTZKGHDQDV-CYBMUJFWSA-N 1 2 318.295 2.896 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)C(F)(F)F ZINC000411191844 428756095 /nfs/dbraw/zinc/75/60/95/428756095.db2.gz KNSZDTZKGHDQDV-CYBMUJFWSA-N 1 2 318.295 2.896 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000348542192 428778552 /nfs/dbraw/zinc/77/85/52/428778552.db2.gz BDIIRCUXGVWNNF-CMPZQBNXSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000348542192 428778558 /nfs/dbraw/zinc/77/85/58/428778558.db2.gz BDIIRCUXGVWNNF-CMPZQBNXSA-N 1 2 307.459 2.983 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000362543204 428790571 /nfs/dbraw/zinc/79/05/71/428790571.db2.gz OWCZNHQLDOEKHW-SMDDNHRTSA-N 1 2 302.353 2.522 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000362605777 428793784 /nfs/dbraw/zinc/79/37/84/428793784.db2.gz IMTMKAAZRZLCDP-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000362605777 428793787 /nfs/dbraw/zinc/79/37/87/428793787.db2.gz IMTMKAAZRZLCDP-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C=CCCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000359055315 428795586 /nfs/dbraw/zinc/79/55/86/428795586.db2.gz MXEQSSVHYQOLGQ-SFHVURJKSA-N 1 2 316.445 2.841 20 30 DFEDLO COc1cc(OC)c(C[NH+]2CCC(F)(C#N)CC2)c(OC)c1 ZINC000348699126 428815674 /nfs/dbraw/zinc/81/56/74/428815674.db2.gz AKWSHHMGDZBTAQ-UHFFFAOYSA-N 1 2 308.353 2.540 20 30 DFEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000375187840 428819413 /nfs/dbraw/zinc/81/94/13/428819413.db2.gz POJZZFJZUSYOIT-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000375187840 428819415 /nfs/dbraw/zinc/81/94/15/428819415.db2.gz POJZZFJZUSYOIT-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO CCC[N@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362970158 428830174 /nfs/dbraw/zinc/83/01/74/428830174.db2.gz SAMJGSXPGCCFIH-UHFFFAOYSA-N 1 2 319.359 2.827 20 30 DFEDLO CCC[N@@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362970158 428830180 /nfs/dbraw/zinc/83/01/80/428830180.db2.gz SAMJGSXPGCCFIH-UHFFFAOYSA-N 1 2 319.359 2.827 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416958321 428830496 /nfs/dbraw/zinc/83/04/96/428830496.db2.gz OXVZRESWQVPZDM-KRWDZBQOSA-N 1 2 306.369 2.883 20 30 DFEDLO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411642942 428832170 /nfs/dbraw/zinc/83/21/70/428832170.db2.gz HUXATMBBHSFBJY-CYBMUJFWSA-N 1 2 308.422 2.875 20 30 DFEDLO C=CCN(C)CC[N@H+](CC)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411642942 428832175 /nfs/dbraw/zinc/83/21/75/428832175.db2.gz HUXATMBBHSFBJY-CYBMUJFWSA-N 1 2 308.422 2.875 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000363021099 428843763 /nfs/dbraw/zinc/84/37/63/428843763.db2.gz FCPCKROICLRRMI-UHFFFAOYSA-N 1 2 306.431 2.626 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCOCC1 ZINC000363021099 428843767 /nfs/dbraw/zinc/84/37/67/428843767.db2.gz FCPCKROICLRRMI-UHFFFAOYSA-N 1 2 306.431 2.626 20 30 DFEDLO N#Cc1cnc(NCc2ccnc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000363541012 428936829 /nfs/dbraw/zinc/93/68/29/428936829.db2.gz DXLONCIGTNFBCM-UHFFFAOYSA-N 1 2 310.748 2.799 20 30 DFEDLO C=CCC[C@@H]1NC(=O)N(CCC[N@@H+](CC)c2ccccc2)C1=O ZINC000419925094 428944018 /nfs/dbraw/zinc/94/40/18/428944018.db2.gz NZELYGCXJYULGO-INIZCTEOSA-N 1 2 315.417 2.790 20 30 DFEDLO C=CCC[C@@H]1NC(=O)N(CCC[N@H+](CC)c2ccccc2)C1=O ZINC000419925094 428944023 /nfs/dbraw/zinc/94/40/23/428944023.db2.gz NZELYGCXJYULGO-INIZCTEOSA-N 1 2 315.417 2.790 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(CCC#N)c1ccccc1 ZINC000349252527 428948714 /nfs/dbraw/zinc/94/87/14/428948714.db2.gz UQPGSLDNUCANGB-UONOGXRCSA-N 1 2 312.373 2.661 20 30 DFEDLO CC1CCN(c2ccc(CNc3cncc(C#N)n3)c[nH+]2)CC1 ZINC000420585159 428958296 /nfs/dbraw/zinc/95/82/96/428958296.db2.gz MBRMRDOYFVCDOL-UHFFFAOYSA-N 1 2 308.389 2.592 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354896561 429017977 /nfs/dbraw/zinc/01/79/77/429017977.db2.gz LOQYJRHIHMWAAJ-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354896561 429017983 /nfs/dbraw/zinc/01/79/83/429017983.db2.gz LOQYJRHIHMWAAJ-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420949092 428975361 /nfs/dbraw/zinc/97/53/61/428975361.db2.gz OILFXJKFZSAWNG-OAGGEKHMSA-N 1 2 321.465 2.607 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420949092 428975367 /nfs/dbraw/zinc/97/53/67/428975367.db2.gz OILFXJKFZSAWNG-OAGGEKHMSA-N 1 2 321.465 2.607 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837106 428992917 /nfs/dbraw/zinc/99/29/17/428992917.db2.gz AYXFJTKOYUAGIN-WMLDXEAASA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837106 428992925 /nfs/dbraw/zinc/99/29/25/428992925.db2.gz AYXFJTKOYUAGIN-WMLDXEAASA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837105 428994074 /nfs/dbraw/zinc/99/40/74/428994074.db2.gz AYXFJTKOYUAGIN-RHSMWYFYSA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837105 428994080 /nfs/dbraw/zinc/99/40/80/428994080.db2.gz AYXFJTKOYUAGIN-RHSMWYFYSA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837107 428994778 /nfs/dbraw/zinc/99/47/78/428994778.db2.gz AYXFJTKOYUAGIN-YOEHRIQHSA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837107 428994784 /nfs/dbraw/zinc/99/47/84/428994784.db2.gz AYXFJTKOYUAGIN-YOEHRIQHSA-N 1 2 315.417 2.815 20 30 DFEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000452038294 429041941 /nfs/dbraw/zinc/04/19/41/429041941.db2.gz MMOAHLAKABHVND-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000452038294 429041946 /nfs/dbraw/zinc/04/19/46/429041946.db2.gz MMOAHLAKABHVND-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000376158955 429068020 /nfs/dbraw/zinc/06/80/20/429068020.db2.gz XOJMQZNCQRYITM-GFCCVEGCSA-N 1 2 314.776 2.716 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000435468970 429144699 /nfs/dbraw/zinc/14/46/99/429144699.db2.gz SAYLQBRNURZBQO-HNNXBMFYSA-N 1 2 320.396 2.719 20 30 DFEDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Cl)cc1C#N ZINC000434697627 429106416 /nfs/dbraw/zinc/10/64/16/429106416.db2.gz QRDLOJGTBRKARS-UHFFFAOYSA-N 1 2 321.852 2.754 20 30 DFEDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Cl)cc1C#N ZINC000434697627 429106419 /nfs/dbraw/zinc/10/64/19/429106419.db2.gz QRDLOJGTBRKARS-UHFFFAOYSA-N 1 2 321.852 2.754 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487136136 429135718 /nfs/dbraw/zinc/13/57/18/429135718.db2.gz KECPUWLXYUCQKK-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487136136 429135724 /nfs/dbraw/zinc/13/57/24/429135724.db2.gz KECPUWLXYUCQKK-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331141 429184016 /nfs/dbraw/zinc/18/40/16/429184016.db2.gz XZOAKFQTOGCCBD-OAHLLOKOSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331141 429184019 /nfs/dbraw/zinc/18/40/19/429184019.db2.gz XZOAKFQTOGCCBD-OAHLLOKOSA-N 1 2 311.345 2.500 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(F)c1C#N)CCC2 ZINC000364468914 429208608 /nfs/dbraw/zinc/20/86/08/429208608.db2.gz SHJIHUNWXQUPLF-GFCCVEGCSA-N 1 2 312.348 2.510 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489059744 429218011 /nfs/dbraw/zinc/21/80/11/429218011.db2.gz WMSWJMMKSQDJSO-UHFFFAOYSA-N 1 2 324.428 2.989 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C/c2cccc(OC)c2O)C1 ZINC000495533831 429218910 /nfs/dbraw/zinc/21/89/10/429218910.db2.gz OLMNFIUKLYSHKT-DFGDDMDISA-N 1 2 320.389 2.687 20 30 DFEDLO CN(C)C(=O)OC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000495594109 429228381 /nfs/dbraw/zinc/22/83/81/429228381.db2.gz DRNUAILHKZZLKX-UHFFFAOYSA-N 1 2 320.820 2.854 20 30 DFEDLO COc1cc(CNc2ccc(N3CCCC3)c[nH+]2)ccc1C#N ZINC000440813420 429228480 /nfs/dbraw/zinc/22/84/80/429228480.db2.gz MLRMLWKDDIGQNL-UHFFFAOYSA-N 1 2 308.385 3.174 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455996938 429229492 /nfs/dbraw/zinc/22/94/92/429229492.db2.gz UNPJEYXITRUVMK-UHFFFAOYSA-N 1 2 324.428 2.872 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441000940 429229687 /nfs/dbraw/zinc/22/96/87/429229687.db2.gz RROJSZHJNICTMD-UHFFFAOYSA-N 1 2 317.437 2.668 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC2(C#N)CC2)C1 ZINC000495612511 429231546 /nfs/dbraw/zinc/23/15/46/429231546.db2.gz QUXUJEIMCLTNMW-QGZVFWFLSA-N 1 2 305.422 2.766 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC2(C#N)CC2)C1 ZINC000495612511 429231549 /nfs/dbraw/zinc/23/15/49/429231549.db2.gz QUXUJEIMCLTNMW-QGZVFWFLSA-N 1 2 305.422 2.766 20 30 DFEDLO CC#CCNC(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000180369527 275441643 /nfs/dbraw/zinc/44/16/43/275441643.db2.gz DNPAIPKVJGFKJC-UHFFFAOYSA-N 1 2 324.428 2.969 20 30 DFEDLO C[C@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495878519 429285122 /nfs/dbraw/zinc/28/51/22/429285122.db2.gz XASHKJCKJNXHMH-KBPBESRZSA-N 1 2 307.438 2.867 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000365231193 429285323 /nfs/dbraw/zinc/28/53/23/429285323.db2.gz WCBWQUBWXGPDFV-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000365231193 429285326 /nfs/dbraw/zinc/28/53/26/429285326.db2.gz WCBWQUBWXGPDFV-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442900235 429240315 /nfs/dbraw/zinc/24/03/15/429240315.db2.gz REGOPOCFWCTPGJ-LBPRGKRZSA-N 1 2 308.341 2.981 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442900235 429240318 /nfs/dbraw/zinc/24/03/18/429240318.db2.gz REGOPOCFWCTPGJ-LBPRGKRZSA-N 1 2 308.341 2.981 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CCOC)c1C ZINC000489449696 429242540 /nfs/dbraw/zinc/24/25/40/429242540.db2.gz OMLKMBHGLDYALF-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CCOC)c1C ZINC000489449696 429242544 /nfs/dbraw/zinc/24/25/44/429242544.db2.gz OMLKMBHGLDYALF-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(N(CCOC)C(C)=O)n1 ZINC000489447751 429242715 /nfs/dbraw/zinc/24/27/15/429242715.db2.gz KZMXYJHBBFCZIE-OAHLLOKOSA-N 1 2 323.462 2.683 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(N(CCOC)C(C)=O)n1 ZINC000489447751 429242716 /nfs/dbraw/zinc/24/27/16/429242716.db2.gz KZMXYJHBBFCZIE-OAHLLOKOSA-N 1 2 323.462 2.683 20 30 DFEDLO COc1cccc(N2CCC[C@@H](Nc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425241035 429250202 /nfs/dbraw/zinc/25/02/02/429250202.db2.gz ZSIUJVXJFRBZAI-MRXNPFEDSA-N 1 2 322.412 2.773 20 30 DFEDLO Cc1cc(NCCOCc2ccc(Cl)cc2)c(C#N)c[nH+]1 ZINC000425249785 429250558 /nfs/dbraw/zinc/25/05/58/429250558.db2.gz URJCRCQJTGPUGY-UHFFFAOYSA-N 1 2 301.777 2.966 20 30 DFEDLO Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425251657 429251563 /nfs/dbraw/zinc/25/15/63/429251563.db2.gz FWYVOFDMBKOITK-GXTWGEPZSA-N 1 2 313.323 2.579 20 30 DFEDLO C=CCN(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443582391 429256476 /nfs/dbraw/zinc/25/64/76/429256476.db2.gz VBPKENMAXZJYBT-UHFFFAOYSA-N 1 2 307.825 2.526 20 30 DFEDLO C=CCN(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443582391 429256480 /nfs/dbraw/zinc/25/64/80/429256480.db2.gz VBPKENMAXZJYBT-UHFFFAOYSA-N 1 2 307.825 2.526 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444707096 429273902 /nfs/dbraw/zinc/27/39/02/429273902.db2.gz OHFSBCWZQNBXDB-NSHDSACASA-N 1 2 311.788 2.671 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444707096 429273904 /nfs/dbraw/zinc/27/39/04/429273904.db2.gz OHFSBCWZQNBXDB-NSHDSACASA-N 1 2 311.788 2.671 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444727779 429277039 /nfs/dbraw/zinc/27/70/39/429277039.db2.gz CNYPCTUOZXNIJA-AWEZNQCLSA-N 1 2 305.397 2.574 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444727779 429277043 /nfs/dbraw/zinc/27/70/43/429277043.db2.gz CNYPCTUOZXNIJA-AWEZNQCLSA-N 1 2 305.397 2.574 20 30 DFEDLO C#CC[N@@H+](Cc1oncc1C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000491071589 429322851 /nfs/dbraw/zinc/32/28/51/429322851.db2.gz LTGWJYXPAKZXRE-MRXNPFEDSA-N 1 2 310.353 2.584 20 30 DFEDLO C#CC[N@H+](Cc1oncc1C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000491071589 429322855 /nfs/dbraw/zinc/32/28/55/429322855.db2.gz LTGWJYXPAKZXRE-MRXNPFEDSA-N 1 2 310.353 2.584 20 30 DFEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000491313813 429347851 /nfs/dbraw/zinc/34/78/51/429347851.db2.gz AYYHBKPPVAEUPY-INIZCTEOSA-N 1 2 320.396 2.601 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000491231300 429338876 /nfs/dbraw/zinc/33/88/76/429338876.db2.gz SAIUITMLTJLMSW-INIZCTEOSA-N 1 2 314.433 2.673 20 30 DFEDLO C#CC[N@@H+](Cc1c(Br)c(C)nn1C)C1CCCC1 ZINC000491255140 429339977 /nfs/dbraw/zinc/33/99/77/429339977.db2.gz WDISEQAZWUEZJX-UHFFFAOYSA-N 1 2 310.239 2.869 20 30 DFEDLO C#CC[N@H+](Cc1c(Br)c(C)nn1C)C1CCCC1 ZINC000491255140 429339983 /nfs/dbraw/zinc/33/99/83/429339983.db2.gz WDISEQAZWUEZJX-UHFFFAOYSA-N 1 2 310.239 2.869 20 30 DFEDLO C=C[C@@H](CC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000365581555 429345361 /nfs/dbraw/zinc/34/53/61/429345361.db2.gz PAZPVFBOUXLXFV-HOTGVXAUSA-N 1 2 309.413 2.922 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(F)cc1 ZINC000491297092 429345508 /nfs/dbraw/zinc/34/55/08/429345508.db2.gz ONDAQXKRXHATEW-SWLSCSKDSA-N 1 2 314.364 2.777 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@@H](C)O1 ZINC000446085463 429295988 /nfs/dbraw/zinc/29/59/88/429295988.db2.gz WMKILYVIMQSSML-IJLUTSLNSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@@H](C)O1 ZINC000446085463 429295993 /nfs/dbraw/zinc/29/59/93/429295993.db2.gz WMKILYVIMQSSML-IJLUTSLNSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H](C)O1 ZINC000446085465 429296503 /nfs/dbraw/zinc/29/65/03/429296503.db2.gz WMKILYVIMQSSML-WOPDTQHZSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H](C)O1 ZINC000446085465 429296508 /nfs/dbraw/zinc/29/65/08/429296508.db2.gz WMKILYVIMQSSML-WOPDTQHZSA-N 1 2 321.808 2.648 20 30 DFEDLO N#CCc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000365325912 429300387 /nfs/dbraw/zinc/30/03/87/429300387.db2.gz JHCHUNAKBURKNE-GOSISDBHSA-N 1 2 305.381 2.966 20 30 DFEDLO N#CCc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000365325912 429300390 /nfs/dbraw/zinc/30/03/90/429300390.db2.gz JHCHUNAKBURKNE-GOSISDBHSA-N 1 2 305.381 2.966 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456410751 429300835 /nfs/dbraw/zinc/30/08/35/429300835.db2.gz GLPNMCDOHHWPDL-SWLSCSKDSA-N 1 2 324.384 2.734 20 30 DFEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973764 429301202 /nfs/dbraw/zinc/30/12/02/429301202.db2.gz FQZDPAPYFJRYQG-HZPDHXFCSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973764 429301207 /nfs/dbraw/zinc/30/12/07/429301207.db2.gz FQZDPAPYFJRYQG-HZPDHXFCSA-N 1 2 312.373 2.520 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425454718 429301361 /nfs/dbraw/zinc/30/13/61/429301361.db2.gz FDOQHKXJEDHBLA-MRXNPFEDSA-N 1 2 320.433 2.549 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425454718 429301366 /nfs/dbraw/zinc/30/13/66/429301366.db2.gz FDOQHKXJEDHBLA-MRXNPFEDSA-N 1 2 320.433 2.549 20 30 DFEDLO Cc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)nc1 ZINC000447310478 429303078 /nfs/dbraw/zinc/30/30/78/429303078.db2.gz YFBYSEICHMMMDW-UHFFFAOYSA-N 1 2 312.373 2.728 20 30 DFEDLO Cc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)nc1 ZINC000447310478 429303083 /nfs/dbraw/zinc/30/30/83/429303083.db2.gz YFBYSEICHMMMDW-UHFFFAOYSA-N 1 2 312.373 2.728 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000490897732 429311909 /nfs/dbraw/zinc/31/19/09/429311909.db2.gz FCVYKZVAGYTVFY-UHFFFAOYSA-N 1 2 324.403 2.851 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000490897732 429311911 /nfs/dbraw/zinc/31/19/11/429311911.db2.gz FCVYKZVAGYTVFY-UHFFFAOYSA-N 1 2 324.403 2.851 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000448768538 429317466 /nfs/dbraw/zinc/31/74/66/429317466.db2.gz DQMSWAUDYRVRRN-ABAIWWIYSA-N 1 2 304.419 2.617 20 30 DFEDLO C#C[C@H](CC)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000491692920 429391684 /nfs/dbraw/zinc/39/16/84/429391684.db2.gz BYSQXYLJIWODCB-QGZVFWFLSA-N 1 2 324.428 2.727 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)C[C@]2(C)CC2(Cl)Cl)n1 ZINC000491704893 429393598 /nfs/dbraw/zinc/39/35/98/429393598.db2.gz PPWQCFSFANIVHS-ZDUSSCGKSA-N 1 2 300.233 2.922 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)C[C@]2(C)CC2(Cl)Cl)n1 ZINC000491704893 429393603 /nfs/dbraw/zinc/39/36/03/429393603.db2.gz PPWQCFSFANIVHS-ZDUSSCGKSA-N 1 2 300.233 2.922 20 30 DFEDLO C#C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000491713478 429395072 /nfs/dbraw/zinc/39/50/72/429395072.db2.gz CSSVHQBNLXBAHB-KRWDZBQOSA-N 1 2 317.385 2.693 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000491733108 429399044 /nfs/dbraw/zinc/39/90/44/429399044.db2.gz IAAQXQXHKYPGAP-UKRRQHHQSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491785951 429408159 /nfs/dbraw/zinc/40/81/59/429408159.db2.gz SZCGYMVKGHHYRC-ZDUSSCGKSA-N 1 2 301.777 2.831 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491789528 429408226 /nfs/dbraw/zinc/40/82/26/429408226.db2.gz YWQVZIOFSDTLRH-KRWDZBQOSA-N 1 2 316.449 2.887 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000491360099 429351267 /nfs/dbraw/zinc/35/12/67/429351267.db2.gz DFTSAMSHULYPRT-AWEZNQCLSA-N 1 2 315.442 2.794 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000491464834 429362164 /nfs/dbraw/zinc/36/21/64/429362164.db2.gz UESSWFZCMJDKCW-JTQLQIEISA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000491464834 429362168 /nfs/dbraw/zinc/36/21/68/429362168.db2.gz UESSWFZCMJDKCW-JTQLQIEISA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000491454584 429363260 /nfs/dbraw/zinc/36/32/60/429363260.db2.gz ZWWIZYXFMYKQJT-CZUORRHYSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(C)(C)C ZINC000491483243 429364686 /nfs/dbraw/zinc/36/46/86/429364686.db2.gz AJVZQCDCQYUYLE-CYBMUJFWSA-N 1 2 318.808 2.835 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000491632909 429381100 /nfs/dbraw/zinc/38/11/00/429381100.db2.gz IGXKWDZQGUBJNI-CQSZACIVSA-N 1 2 304.802 2.965 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)c(C)c2)n1 ZINC000491646684 429384799 /nfs/dbraw/zinc/38/47/99/429384799.db2.gz UJYFULRMRLQQBE-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)c(C)c2)n1 ZINC000491646684 429384802 /nfs/dbraw/zinc/38/48/02/429384802.db2.gz UJYFULRMRLQQBE-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO COc1ccc(-n2cc(C[NH+]3CCC(F)(C#N)CC3)cn2)cc1 ZINC000449316647 429386566 /nfs/dbraw/zinc/38/65/66/429386566.db2.gz OQYDTLXILNFYMI-UHFFFAOYSA-N 1 2 314.364 2.709 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000517172152 429386807 /nfs/dbraw/zinc/38/68/07/429386807.db2.gz DRKPEGYPSXOZKS-YVEFUNNKSA-N 1 2 308.385 2.654 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000517172152 429386811 /nfs/dbraw/zinc/38/68/11/429386811.db2.gz DRKPEGYPSXOZKS-YVEFUNNKSA-N 1 2 308.385 2.654 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449526220 429444624 /nfs/dbraw/zinc/44/46/24/429444624.db2.gz DGNYWTOLKUWPQP-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449526220 429444628 /nfs/dbraw/zinc/44/46/28/429444628.db2.gz DGNYWTOLKUWPQP-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000366275702 429446257 /nfs/dbraw/zinc/44/62/57/429446257.db2.gz YUTCKVXNYFSYMN-JKSUJKDBSA-N 1 2 312.373 2.510 20 30 DFEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000366275702 429446259 /nfs/dbraw/zinc/44/62/59/429446259.db2.gz YUTCKVXNYFSYMN-JKSUJKDBSA-N 1 2 312.373 2.510 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000366341246 429447389 /nfs/dbraw/zinc/44/73/89/429447389.db2.gz JYEZHFPOKFRDAD-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000366341246 429447394 /nfs/dbraw/zinc/44/73/94/429447394.db2.gz JYEZHFPOKFRDAD-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449573346 429451331 /nfs/dbraw/zinc/45/13/31/429451331.db2.gz RMLLPZAXGNWLJE-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000449573346 429451334 /nfs/dbraw/zinc/45/13/34/429451334.db2.gz RMLLPZAXGNWLJE-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO CN1C(=O)C[C@@H]([NH2+]CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519517714 429459400 /nfs/dbraw/zinc/45/94/00/429459400.db2.gz OWPGDPOPZSTHAP-UKRRQHHQSA-N 1 2 321.783 2.644 20 30 DFEDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366490648 429464520 /nfs/dbraw/zinc/46/45/20/429464520.db2.gz OZLNWPAMTBFZIV-NXHRZFHOSA-N 1 2 313.445 2.776 20 30 DFEDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366490648 429464523 /nfs/dbraw/zinc/46/45/23/429464523.db2.gz OZLNWPAMTBFZIV-NXHRZFHOSA-N 1 2 313.445 2.776 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000519609436 429469706 /nfs/dbraw/zinc/46/97/06/429469706.db2.gz MDTNSVZJFAJYIW-UHFFFAOYSA-N 1 2 301.390 2.626 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2oc(CCC)nc2C)n1 ZINC000491808230 429411687 /nfs/dbraw/zinc/41/16/87/429411687.db2.gz UNRPTYWMXSACJL-UHFFFAOYSA-N 1 2 300.406 2.787 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2oc(CCC)nc2C)n1 ZINC000491808230 429411692 /nfs/dbraw/zinc/41/16/92/429411692.db2.gz UNRPTYWMXSACJL-UHFFFAOYSA-N 1 2 300.406 2.787 20 30 DFEDLO N#CCCn1cc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c2ccccc21 ZINC000491836513 429417929 /nfs/dbraw/zinc/41/79/29/429417929.db2.gz AARDSCKRKXCEOB-SREVYHEPSA-N 1 2 319.368 2.608 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366105737 429419396 /nfs/dbraw/zinc/41/93/96/429419396.db2.gz NFTJJURSIIEFPT-HNNXBMFYSA-N 1 2 310.401 2.665 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366105737 429419400 /nfs/dbraw/zinc/41/94/00/429419400.db2.gz NFTJJURSIIEFPT-HNNXBMFYSA-N 1 2 310.401 2.665 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000518371372 429419771 /nfs/dbraw/zinc/41/97/71/429419771.db2.gz STTWFRGXPPFAHL-KGLIPLIRSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000518371372 429419772 /nfs/dbraw/zinc/41/97/72/429419772.db2.gz STTWFRGXPPFAHL-KGLIPLIRSA-N 1 2 313.401 2.529 20 30 DFEDLO Cc1cc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)ccc1C#N ZINC000449468425 429426919 /nfs/dbraw/zinc/42/69/19/429426919.db2.gz DMKBHCTVGKIDFA-UHFFFAOYSA-N 1 2 306.291 2.965 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000366562942 429475879 /nfs/dbraw/zinc/47/58/79/429475879.db2.gz BKYGNPGQYPYBCE-CHWSQXEVSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000366562942 429475882 /nfs/dbraw/zinc/47/58/82/429475882.db2.gz BKYGNPGQYPYBCE-CHWSQXEVSA-N 1 2 304.228 2.555 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCCOC2)O1 ZINC000366569006 429477715 /nfs/dbraw/zinc/47/77/15/429477715.db2.gz LBBKZLLZNUQWBM-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCCOC2)O1 ZINC000366569006 429477716 /nfs/dbraw/zinc/47/77/16/429477716.db2.gz LBBKZLLZNUQWBM-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(F)cc1OCC#N ZINC000492407095 429530556 /nfs/dbraw/zinc/53/05/56/429530556.db2.gz JCQJXGDPQLHFBN-WAYWQWQTSA-N 1 2 314.320 2.596 20 30 DFEDLO COc1ccnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367065025 429569991 /nfs/dbraw/zinc/56/99/91/429569991.db2.gz GUJMYECCLWIACL-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO COc1cc[nH+]c(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367065025 429569994 /nfs/dbraw/zinc/56/99/94/429569994.db2.gz GUJMYECCLWIACL-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129512 429582398 /nfs/dbraw/zinc/58/23/98/429582398.db2.gz SZHZKFJDPKZDBH-KRWDZBQOSA-N 1 2 310.401 2.909 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@]3(C#N)CCC[C@@H](C)C3)[nH+]c12 ZINC000523971590 429616945 /nfs/dbraw/zinc/61/69/45/429616945.db2.gz NPRQRYOSMVWFAC-FZKQIMNGSA-N 1 2 310.401 2.774 20 30 DFEDLO C=CCC1(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000458322064 429620517 /nfs/dbraw/zinc/62/05/17/429620517.db2.gz YEEAFQYFWPQCJN-CVEARBPZSA-N 1 2 323.481 2.674 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1cccc(C#N)c1)C1CC1 ZINC000492883310 429635871 /nfs/dbraw/zinc/63/58/71/429635871.db2.gz WVCNQKYTXUIPEC-AFCDSYGPSA-N 1 2 306.369 2.572 20 30 DFEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000367512650 429662703 /nfs/dbraw/zinc/66/27/03/429662703.db2.gz FJMHHNBUWXWFHJ-OAHLLOKOSA-N 1 2 322.347 2.731 20 30 DFEDLO COc1cccc([C@@H](Nc2cc(C#N)ccn2)c2[nH+]ccn2C)c1 ZINC000367519255 429663605 /nfs/dbraw/zinc/66/36/05/429663605.db2.gz NBANWHOBCLQNNK-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000367520039 429664096 /nfs/dbraw/zinc/66/40/96/429664096.db2.gz TVSKAKCLQSEKGG-OAHLLOKOSA-N 1 2 322.347 2.731 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493098134 429688864 /nfs/dbraw/zinc/68/88/64/429688864.db2.gz LJQNJKGWSRCEOG-LLVKDONJSA-N 1 2 319.243 2.836 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493098134 429688868 /nfs/dbraw/zinc/68/88/68/429688868.db2.gz LJQNJKGWSRCEOG-LLVKDONJSA-N 1 2 319.243 2.836 20 30 DFEDLO CO[C@H]1C[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498901 429698877 /nfs/dbraw/zinc/69/88/77/429698877.db2.gz AFBLFSADPSFXIP-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO CO[C@H]1C[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498901 429698881 /nfs/dbraw/zinc/69/88/81/429698881.db2.gz AFBLFSADPSFXIP-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO CC(C)Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493123856 429694659 /nfs/dbraw/zinc/69/46/59/429694659.db2.gz VSIMKEAGCZAUSR-GDWUOILNSA-N 1 2 313.445 2.858 20 30 DFEDLO COCc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000459358110 429695971 /nfs/dbraw/zinc/69/59/71/429695971.db2.gz MUMFHISLFSYCDX-UHFFFAOYSA-N 1 2 309.369 2.982 20 30 DFEDLO COCc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000459358110 429695978 /nfs/dbraw/zinc/69/59/78/429695978.db2.gz MUMFHISLFSYCDX-UHFFFAOYSA-N 1 2 309.369 2.982 20 30 DFEDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000459334159 429696397 /nfs/dbraw/zinc/69/63/97/429696397.db2.gz FNGPGCSVBDYPBW-HNNXBMFYSA-N 1 2 311.345 2.537 20 30 DFEDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000459334159 429696400 /nfs/dbraw/zinc/69/64/00/429696400.db2.gz FNGPGCSVBDYPBW-HNNXBMFYSA-N 1 2 311.345 2.537 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000367685006 429700061 /nfs/dbraw/zinc/70/00/61/429700061.db2.gz GRVUIPRMAAXVEB-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000367685006 429700062 /nfs/dbraw/zinc/70/00/62/429700062.db2.gz GRVUIPRMAAXVEB-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1csc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)n1 ZINC000459620894 429700725 /nfs/dbraw/zinc/70/07/25/429700725.db2.gz AZXUXQSDUZMJGK-UHFFFAOYSA-N 1 2 305.353 2.967 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000367756033 429712706 /nfs/dbraw/zinc/71/27/06/429712706.db2.gz RHFSNCDWLGXNLX-HNNXBMFYSA-N 1 2 321.218 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000367756033 429712710 /nfs/dbraw/zinc/71/27/10/429712710.db2.gz RHFSNCDWLGXNLX-HNNXBMFYSA-N 1 2 321.218 2.668 20 30 DFEDLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000479472327 429718976 /nfs/dbraw/zinc/71/89/76/429718976.db2.gz NLQMFCRKQZMMBA-UHFFFAOYSA-N 1 2 316.364 2.776 20 30 DFEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518913 429722691 /nfs/dbraw/zinc/72/26/91/429722691.db2.gz MKZXTFAKUNQZAZ-CZUORRHYSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518913 429722696 /nfs/dbraw/zinc/72/26/96/429722696.db2.gz MKZXTFAKUNQZAZ-CZUORRHYSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507569 429722935 /nfs/dbraw/zinc/72/29/35/429722935.db2.gz MDGORRMRFYXVNM-BBRMVZONSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507569 429722938 /nfs/dbraw/zinc/72/29/38/429722938.db2.gz MDGORRMRFYXVNM-BBRMVZONSA-N 1 2 305.805 2.965 20 30 DFEDLO CC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483135783 429730069 /nfs/dbraw/zinc/73/00/69/429730069.db2.gz PXQLCOPRXQIDCU-WMZOPIPTSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483135783 429730071 /nfs/dbraw/zinc/73/00/71/429730071.db2.gz PXQLCOPRXQIDCU-WMZOPIPTSA-N 1 2 319.832 2.961 20 30 DFEDLO CC(C)(C)[C@@H](C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493328109 429738516 /nfs/dbraw/zinc/73/85/16/429738516.db2.gz VLJAOOKQRFAHEX-CXOKCQFOSA-N 1 2 308.385 2.940 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000367892853 429738602 /nfs/dbraw/zinc/73/86/02/429738602.db2.gz KMGCAONEFUKFNK-UHFFFAOYSA-N 1 2 307.357 2.734 20 30 DFEDLO C=CCCCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000367905779 429740086 /nfs/dbraw/zinc/74/00/86/429740086.db2.gz BPTGHAABAGFTEX-KRWDZBQOSA-N 1 2 323.481 2.629 20 30 DFEDLO C=CCOc1ccc(CNC(=O)/C=C\c2[nH+]ccn2CC)cc1 ZINC000493371981 429748456 /nfs/dbraw/zinc/74/84/56/429748456.db2.gz RBEQXYBAZZFTSQ-KTKRTIGZSA-N 1 2 311.385 2.797 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000493446423 429765233 /nfs/dbraw/zinc/76/52/33/429765233.db2.gz CRJXLCVTOAYLCU-AATRIKPKSA-N 1 2 304.353 2.610 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](F)C1 ZINC000451193766 429784811 /nfs/dbraw/zinc/78/48/11/429784811.db2.gz VIXDAWCYSIRWQC-OCCSQVGLSA-N 1 2 307.344 2.505 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](F)C1 ZINC000451193766 429784814 /nfs/dbraw/zinc/78/48/14/429784814.db2.gz VIXDAWCYSIRWQC-OCCSQVGLSA-N 1 2 307.344 2.505 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)c2[nH+]ccn21 ZINC000493579619 429789147 /nfs/dbraw/zinc/78/91/47/429789147.db2.gz GWUDREWLKWGSQO-MPHRNGTFSA-N 1 2 322.368 2.621 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000528073561 429844339 /nfs/dbraw/zinc/84/43/39/429844339.db2.gz FAUBNFNFYYNSAA-KBPBESRZSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000528073561 429844341 /nfs/dbraw/zinc/84/43/41/429844341.db2.gz FAUBNFNFYYNSAA-KBPBESRZSA-N 1 2 304.438 2.698 20 30 DFEDLO N#Cc1ccccc1Cn1cccc1C[NH+]1CC(n2cccn2)C1 ZINC000368873425 429899405 /nfs/dbraw/zinc/89/94/05/429899405.db2.gz VCGNXEHRSMHHDF-UHFFFAOYSA-N 1 2 317.396 2.661 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C[C@H](CC#N)c1ccccc1)C2 ZINC000369097782 429912470 /nfs/dbraw/zinc/91/24/70/429912470.db2.gz NSJZOYPJGCBHLE-KRWDZBQOSA-N 1 2 322.412 2.930 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cn2ccccc12 ZINC000528788210 429915852 /nfs/dbraw/zinc/91/58/52/429915852.db2.gz DJSHJTMCSKDPQE-QGZVFWFLSA-N 1 2 319.368 2.644 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cn2ccccc12 ZINC000528788210 429915853 /nfs/dbraw/zinc/91/58/53/429915853.db2.gz DJSHJTMCSKDPQE-QGZVFWFLSA-N 1 2 319.368 2.644 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@](=O)C1 ZINC000369347294 429925768 /nfs/dbraw/zinc/92/57/68/429925768.db2.gz WTHMCMZJRFDMBQ-NYHFZMIOSA-N 1 2 320.458 2.570 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@](=O)C1 ZINC000369347294 429925774 /nfs/dbraw/zinc/92/57/74/429925774.db2.gz WTHMCMZJRFDMBQ-NYHFZMIOSA-N 1 2 320.458 2.570 20 30 DFEDLO CN1CCCC[C@@H]([N@H+](C)CC#Cc2ccccc2Cl)C1=O ZINC000634742216 430097985 /nfs/dbraw/zinc/09/79/85/430097985.db2.gz DEBAHZVGFZPTKH-MRXNPFEDSA-N 1 2 304.821 2.634 20 30 DFEDLO CN1CCCC[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1=O ZINC000634742216 430097990 /nfs/dbraw/zinc/09/79/90/430097990.db2.gz DEBAHZVGFZPTKH-MRXNPFEDSA-N 1 2 304.821 2.634 20 30 DFEDLO CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000562071867 430108061 /nfs/dbraw/zinc/10/80/61/430108061.db2.gz WIGAWCKAGAAZLK-CQSZACIVSA-N 1 2 312.398 2.602 20 30 DFEDLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CCC#N)CC1 ZINC000576819581 430108269 /nfs/dbraw/zinc/10/82/69/430108269.db2.gz IWRWFRRYFAGYNX-UHFFFAOYSA-N 1 2 324.432 2.795 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000575069952 430054702 /nfs/dbraw/zinc/05/47/02/430054702.db2.gz NHEMQVCJNOZKBW-UKRRQHHQSA-N 1 2 316.380 2.743 20 30 DFEDLO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N ZINC000640029483 430061066 /nfs/dbraw/zinc/06/10/66/430061066.db2.gz HEMZBRXERPJXJG-CABCVRRESA-N 1 2 314.385 2.655 20 30 DFEDLO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N ZINC000640029483 430061069 /nfs/dbraw/zinc/06/10/69/430061069.db2.gz HEMZBRXERPJXJG-CABCVRRESA-N 1 2 314.385 2.655 20 30 DFEDLO NC(=O)C[N@@H+](CC#Cc1ccc(F)cc1)CCC1CCCCC1 ZINC000533463564 430158656 /nfs/dbraw/zinc/15/86/56/430158656.db2.gz LXQXHMZLICPHBX-UHFFFAOYSA-N 1 2 316.420 2.935 20 30 DFEDLO NC(=O)C[N@H+](CC#Cc1ccc(F)cc1)CCC1CCCCC1 ZINC000533463564 430158660 /nfs/dbraw/zinc/15/86/60/430158660.db2.gz LXQXHMZLICPHBX-UHFFFAOYSA-N 1 2 316.420 2.935 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000562706465 430169420 /nfs/dbraw/zinc/16/94/20/430169420.db2.gz XCZNLKQKMAZJOC-JTQLQIEISA-N 1 2 301.371 2.652 20 30 DFEDLO COc1c(C)[nH+]c(C2CC2)nc1NCC1CCC(C#N)CC1 ZINC000578549514 430120953 /nfs/dbraw/zinc/12/09/53/430120953.db2.gz PODDJVGATCSFOM-UHFFFAOYSA-N 1 2 300.406 3.413 20 30 DFEDLO N#Cc1cccc(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000531387832 430140244 /nfs/dbraw/zinc/14/02/44/430140244.db2.gz OXHPQWPKTDKHNB-UHFFFAOYSA-N 1 2 324.771 2.718 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(C4CCC4)no3)CC2)cc1 ZINC000562530093 430142993 /nfs/dbraw/zinc/14/29/93/430142993.db2.gz NLCYMVBUUTYWNN-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO CCC(C)(C)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000566128402 430243168 /nfs/dbraw/zinc/24/31/68/430243168.db2.gz CGINOIHOZWHMLS-KRWDZBQOSA-N 1 2 303.450 2.992 20 30 DFEDLO CCC(C)(C)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000566128402 430243171 /nfs/dbraw/zinc/24/31/71/430243171.db2.gz CGINOIHOZWHMLS-KRWDZBQOSA-N 1 2 303.450 2.992 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000544634545 430288389 /nfs/dbraw/zinc/28/83/89/430288389.db2.gz KYJVRNSYUOEUQD-CQSZACIVSA-N 1 2 314.776 2.713 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000568105108 430319351 /nfs/dbraw/zinc/31/93/51/430319351.db2.gz OPYUWPNUSWUDHB-QWRGUYRKSA-N 1 2 316.430 2.717 20 30 DFEDLO CC#CC[NH2+]Cc1cn(C[C@H](OC(C)C)c2ccccc2)nn1 ZINC000641104389 430330426 /nfs/dbraw/zinc/33/04/26/430330426.db2.gz QMEJTVMYWMAYFY-SFHVURJKSA-N 1 2 312.417 2.557 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1nc(C#N)cs1 ZINC000568455380 430358382 /nfs/dbraw/zinc/35/83/82/430358382.db2.gz IMPASYRQNUVWQL-ZDUSSCGKSA-N 1 2 301.419 2.958 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000569066201 430417395 /nfs/dbraw/zinc/41/73/95/430417395.db2.gz AODPULDLTSEGDH-ZBFHGGJFSA-N 1 2 320.339 2.822 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000569066201 430417400 /nfs/dbraw/zinc/41/74/00/430417400.db2.gz AODPULDLTSEGDH-ZBFHGGJFSA-N 1 2 320.339 2.822 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635889416 430403936 /nfs/dbraw/zinc/40/39/36/430403936.db2.gz JVDJJKLVDMTTTJ-OAGGEKHMSA-N 1 2 305.422 2.568 20 30 DFEDLO C=CCCCCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000569255681 430437600 /nfs/dbraw/zinc/43/76/00/430437600.db2.gz CSBQXKRJJGCMBH-UHFFFAOYSA-N 1 2 309.377 2.764 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(CO)cc[nH+]1 ZINC000641595077 430426699 /nfs/dbraw/zinc/42/66/99/430426699.db2.gz YKEUUPMMIQUXBY-UHFFFAOYSA-N 1 2 300.406 2.934 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569813366 430489200 /nfs/dbraw/zinc/48/92/00/430489200.db2.gz FMVFFYQBESMSEJ-AWEZNQCLSA-N 1 2 323.400 2.778 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636235196 430492009 /nfs/dbraw/zinc/49/20/09/430492009.db2.gz CDOMPUHGGBRAJM-GASCZTMLSA-N 1 2 309.369 2.901 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000569985697 430503538 /nfs/dbraw/zinc/50/35/38/430503538.db2.gz IWKXUEQOINFNSR-ZTFGCOKTSA-N 1 2 322.412 2.887 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000569985697 430503541 /nfs/dbraw/zinc/50/35/41/430503541.db2.gz IWKXUEQOINFNSR-ZTFGCOKTSA-N 1 2 322.412 2.887 20 30 DFEDLO CCN(CC)c1ccc(CNc2cc(C#N)nc(C3CC3)n2)c[nH+]1 ZINC000601104672 430536018 /nfs/dbraw/zinc/53/60/18/430536018.db2.gz CIAZPTLIWCFVLJ-UHFFFAOYSA-N 1 2 322.416 3.079 20 30 DFEDLO CC(C)c1cc(NC2CCN(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000611181883 430567028 /nfs/dbraw/zinc/56/70/28/430567028.db2.gz GGGFZJGJBXHUGI-UHFFFAOYSA-N 1 2 301.438 3.123 20 30 DFEDLO N#Cc1nc(NCc2cn3c([nH+]2)CCCC3)ccc1C(F)(F)F ZINC000619695505 430597560 /nfs/dbraw/zinc/59/75/60/430597560.db2.gz VZIOKTYXHMPDBP-UHFFFAOYSA-N 1 2 321.306 3.117 20 30 DFEDLO N#Cc1cncnc1N[C@@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000571280714 430616675 /nfs/dbraw/zinc/61/66/75/430616675.db2.gz OZVHGIJXDTVQII-GXTWGEPZSA-N 1 2 318.384 2.785 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc(C#N)ncn1 ZINC000571383023 430624555 /nfs/dbraw/zinc/62/45/55/430624555.db2.gz QEPZQOGHSOPIME-OAHLLOKOSA-N 1 2 318.384 2.675 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Cl)cc1CC#N ZINC000571417403 430628183 /nfs/dbraw/zinc/62/81/83/430628183.db2.gz PRZLLFNEIVUZCC-SNVBAGLBSA-N 1 2 302.765 2.946 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Cl)cc1CC#N ZINC000571417403 430628185 /nfs/dbraw/zinc/62/81/85/430628185.db2.gz PRZLLFNEIVUZCC-SNVBAGLBSA-N 1 2 302.765 2.946 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(F)(c3cccnc3)CC2)n1 ZINC000571458201 430628756 /nfs/dbraw/zinc/62/87/56/430628756.db2.gz ZHWBCXOFPDPFAS-UHFFFAOYSA-N 1 2 302.378 2.871 20 30 DFEDLO Cc1nn(-c2ccccn2)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000555505767 430667411 /nfs/dbraw/zinc/66/74/11/430667411.db2.gz BTSMJCHEWSXUSQ-UHFFFAOYSA-N 1 2 318.384 2.957 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000556312892 430682806 /nfs/dbraw/zinc/68/28/06/430682806.db2.gz YFCWUHMDXPCZCC-HNNXBMFYSA-N 1 2 319.355 2.664 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000556312892 430682808 /nfs/dbraw/zinc/68/28/08/430682808.db2.gz YFCWUHMDXPCZCC-HNNXBMFYSA-N 1 2 319.355 2.664 20 30 DFEDLO C=C(C)C[C@@H](NC(C)=O)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000664768445 430741508 /nfs/dbraw/zinc/74/15/08/430741508.db2.gz CJYYUBBVQVGNQT-CQSZACIVSA-N 1 2 300.362 2.507 20 30 DFEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000661572720 430761264 /nfs/dbraw/zinc/76/12/64/430761264.db2.gz YCZNHLWCKZLCCF-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651326023 430765955 /nfs/dbraw/zinc/76/59/55/430765955.db2.gz XAXSDUVZVOOHQN-HOCLYGCPSA-N 1 2 312.417 2.968 20 30 DFEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000645143636 430914615 /nfs/dbraw/zinc/91/46/15/430914615.db2.gz JSFKYYJBBBBETC-CQSZACIVSA-N 1 2 309.207 2.631 20 30 DFEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000645143636 430914622 /nfs/dbraw/zinc/91/46/22/430914622.db2.gz JSFKYYJBBBBETC-CQSZACIVSA-N 1 2 309.207 2.631 20 30 DFEDLO C=CCCCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000655247005 430938713 /nfs/dbraw/zinc/93/87/13/430938713.db2.gz OLBIOUYSSZRPSV-UHFFFAOYSA-N 1 2 316.445 2.995 20 30 DFEDLO CC#CC[C@@H](CO)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000645407049 430991892 /nfs/dbraw/zinc/99/18/92/430991892.db2.gz IVYHIZCTHBAQRB-ZDUSSCGKSA-N 1 2 308.303 3.440 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198089 430993770 /nfs/dbraw/zinc/99/37/70/430993770.db2.gz DDTKUJNGBCEKAJ-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198089 430993774 /nfs/dbraw/zinc/99/37/74/430993774.db2.gz DDTKUJNGBCEKAJ-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662101693 430961639 /nfs/dbraw/zinc/96/16/39/430961639.db2.gz VMJPRPBXSVPJBP-LBPRGKRZSA-N 1 2 304.419 2.940 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000652403357 431041938 /nfs/dbraw/zinc/04/19/38/431041938.db2.gz WEWZJFOWMJKXQP-UHFFFAOYSA-N 1 2 300.406 2.697 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676050 431229435 /nfs/dbraw/zinc/22/94/35/431229435.db2.gz RYRKSJXSFVJEEZ-CQSZACIVSA-N 1 2 310.397 2.995 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676050 431229443 /nfs/dbraw/zinc/22/94/43/431229443.db2.gz RYRKSJXSFVJEEZ-CQSZACIVSA-N 1 2 310.397 2.995 20 30 DFEDLO CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1[nH]cc[nH+]1 ZINC000660142523 431288360 /nfs/dbraw/zinc/28/83/60/431288360.db2.gz GRVPUGSGCLFWAZ-UHFFFAOYSA-N 1 2 309.291 2.792 20 30 DFEDLO C=CCC1(CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000656210099 431310740 /nfs/dbraw/zinc/31/07/40/431310740.db2.gz XYOPIAQLTCKWFC-OAHLLOKOSA-N 1 2 316.449 2.881 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660070054 431259583 /nfs/dbraw/zinc/25/95/83/431259583.db2.gz NVQDGPHRBNJGOV-QGZVFWFLSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660070054 431259590 /nfs/dbraw/zinc/25/95/90/431259590.db2.gz NVQDGPHRBNJGOV-QGZVFWFLSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CCOCCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000666516075 431261411 /nfs/dbraw/zinc/26/14/11/431261411.db2.gz XSYJPARKUCPZSZ-HNNXBMFYSA-N 1 2 320.437 2.732 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000656457330 431392156 /nfs/dbraw/zinc/39/21/56/431392156.db2.gz LTKHDXBRVQBMEF-SFHVURJKSA-N 1 2 314.433 2.716 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)n1cc(C[N@H+](C)CCOC)nn1 ZINC000656457330 431392161 /nfs/dbraw/zinc/39/21/61/431392161.db2.gz LTKHDXBRVQBMEF-SFHVURJKSA-N 1 2 314.433 2.716 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(OC)c(C)c2)nn1 ZINC000653541930 431425797 /nfs/dbraw/zinc/42/57/97/431425797.db2.gz AHPOYPCZJZOMOK-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(OC)c(C)c2)nn1 ZINC000653541930 431425802 /nfs/dbraw/zinc/42/58/02/431425802.db2.gz AHPOYPCZJZOMOK-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)nn1 ZINC000653581702 431444724 /nfs/dbraw/zinc/44/47/24/431444724.db2.gz FDDWTFDMPFVONJ-SFHVURJKSA-N 1 2 322.416 2.582 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)nn1 ZINC000653609116 431460804 /nfs/dbraw/zinc/46/08/04/431460804.db2.gz YEPMZDMDNDJQQO-AWEZNQCLSA-N 1 2 303.435 2.860 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653648271 431475805 /nfs/dbraw/zinc/47/58/05/431475805.db2.gz MTLJFBNHKRFBBY-MRXNPFEDSA-N 1 2 320.824 2.985 20 30 DFEDLO C=CCCn1cc(CN2CCCC[C@@H]2c2[nH+]ccn2CC)nn1 ZINC000653656762 431479275 /nfs/dbraw/zinc/47/92/75/431479275.db2.gz PVEZTYNLZGEQQC-MRXNPFEDSA-N 1 2 314.437 2.798 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCNc1cccc[nH+]1 ZINC000660688876 431550654 /nfs/dbraw/zinc/55/06/54/431550654.db2.gz MEMWSVOTSQEYFG-GASCZTMLSA-N 1 2 300.406 2.776 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000122659919 280315724 /nfs/dbraw/zinc/31/57/24/280315724.db2.gz FWNMCRKWMKBUEB-UHFFFAOYSA-N 1 2 322.412 2.922 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OC(C)C)nn1 ZINC000657324809 431675796 /nfs/dbraw/zinc/67/57/96/431675796.db2.gz XOCIHJXCWFWKSL-UHFFFAOYSA-N 1 2 300.406 2.931 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660966572 431681448 /nfs/dbraw/zinc/68/14/48/431681448.db2.gz FBRUHQGUKKAPEO-HUUCEWRRSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660966572 431681451 /nfs/dbraw/zinc/68/14/51/431681451.db2.gz FBRUHQGUKKAPEO-HUUCEWRRSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OCC2CC2)nn1 ZINC000657372871 431709250 /nfs/dbraw/zinc/70/92/50/431709250.db2.gz ZLGBNDRRNGWFEQ-UHFFFAOYSA-N 1 2 312.417 2.933 20 30 DFEDLO FC(F)(F)c1ccc(C#CCN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647933588 431732953 /nfs/dbraw/zinc/73/29/53/431732953.db2.gz UWKUZFDTRDKPDF-UHFFFAOYSA-N 1 2 305.303 2.838 20 30 DFEDLO C=CCC1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000664522145 431805325 /nfs/dbraw/zinc/80/53/25/431805325.db2.gz VWPGOHOCQONDBS-HNNXBMFYSA-N 1 2 314.433 2.848 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2nccnc2C#N)CC1 ZINC000280289360 282077690 /nfs/dbraw/zinc/07/76/90/282077690.db2.gz QMUPDOXLXYXSKA-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000535206402 301250766 /nfs/dbraw/zinc/25/07/66/301250766.db2.gz MKDINXJUPKBQNN-RYUDHWBXSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000535206402 301250767 /nfs/dbraw/zinc/25/07/67/301250767.db2.gz MKDINXJUPKBQNN-RYUDHWBXSA-N 1 2 304.415 2.671 20 30 DFEDLO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000535748483 301258185 /nfs/dbraw/zinc/25/81/85/301258185.db2.gz ISLBIGJFYIDURG-UHFFFAOYSA-N 1 2 311.410 2.864 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000537585377 301304048 /nfs/dbraw/zinc/30/40/48/301304048.db2.gz USPRMNUDFICBJK-UHFFFAOYSA-N 1 2 314.776 2.603 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000540851805 301370889 /nfs/dbraw/zinc/37/08/89/301370889.db2.gz CFEDUMGKXHWFEN-UHFFFAOYSA-N 1 2 302.337 2.878 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@@H]3c3nccs3)cnc12 ZINC000563621617 302088344 /nfs/dbraw/zinc/08/83/44/302088344.db2.gz AMYVTDLQGOSIRL-CQSZACIVSA-N 1 2 324.413 2.785 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CCCC[C@@H]3c3nccs3)cnc12 ZINC000563621617 302088347 /nfs/dbraw/zinc/08/83/47/302088347.db2.gz AMYVTDLQGOSIRL-CQSZACIVSA-N 1 2 324.413 2.785 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567059050 302332791 /nfs/dbraw/zinc/33/27/91/302332791.db2.gz MDLDWNGQKMITOR-CQSZACIVSA-N 1 2 310.401 2.899 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567059050 302332794 /nfs/dbraw/zinc/33/27/94/302332794.db2.gz MDLDWNGQKMITOR-CQSZACIVSA-N 1 2 310.401 2.899 20 30 DFEDLO Cc1csc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)c1C#N ZINC000567120726 302337971 /nfs/dbraw/zinc/33/79/71/302337971.db2.gz KPMHXGYHYKCWJV-LLVKDONJSA-N 1 2 315.402 2.824 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)Nc2cccc(C#N)n2)c[nH+]1 ZINC000568760277 302475642 /nfs/dbraw/zinc/47/56/42/302475642.db2.gz CWTPOAWMMQDSDS-UHFFFAOYSA-N 1 2 324.388 2.516 20 30 DFEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000571287969 302612217 /nfs/dbraw/zinc/61/22/17/302612217.db2.gz MIXNMEYXZXMUJQ-CQSZACIVSA-N 1 2 315.329 2.845 20 30 DFEDLO C[C@@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)n1cc[nH+]c1 ZINC000573729859 302720238 /nfs/dbraw/zinc/72/02/38/302720238.db2.gz PCMWRGVTSIPOOW-JTQLQIEISA-N 1 2 320.299 2.946 20 30 DFEDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000182872343 316121523 /nfs/dbraw/zinc/12/15/23/316121523.db2.gz UARSQSXLLROEQP-CQSZACIVSA-N 1 2 308.385 2.963 20 30 DFEDLO C[C@@H]1CCN(c2ncc3c(c2C#N)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000575384255 318075457 /nfs/dbraw/zinc/07/54/57/318075457.db2.gz PEFZVKFOBGXHKI-CXAGYDPISA-N 1 2 307.401 2.726 20 30 DFEDLO N#Cc1cnc2c(Cl)cccc2c1NCC[NH+]1CCOCC1 ZINC000575744470 318080457 /nfs/dbraw/zinc/08/04/57/318080457.db2.gz YXKOBILNRLDXRX-UHFFFAOYSA-N 1 2 316.792 2.504 20 30 DFEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000577332806 318184767 /nfs/dbraw/zinc/18/47/67/318184767.db2.gz INHYKWMYPVKOKH-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000577332806 318184768 /nfs/dbraw/zinc/18/47/68/318184768.db2.gz INHYKWMYPVKOKH-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000577843747 318220790 /nfs/dbraw/zinc/22/07/90/318220790.db2.gz DENAYHZRQDQOKT-SWLSCSKDSA-N 1 2 323.400 2.541 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000577843747 318220791 /nfs/dbraw/zinc/22/07/91/318220791.db2.gz DENAYHZRQDQOKT-SWLSCSKDSA-N 1 2 323.400 2.541 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000578049964 318234575 /nfs/dbraw/zinc/23/45/75/318234575.db2.gz MDAIDNNOYSBODU-CVEARBPZSA-N 1 2 320.396 2.895 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000578049964 318234577 /nfs/dbraw/zinc/23/45/77/318234577.db2.gz MDAIDNNOYSBODU-CVEARBPZSA-N 1 2 320.396 2.895 20 30 DFEDLO CC(C)c1ccc2ncc(C#N)c(NCc3c[nH+]cn3C)c2c1 ZINC000579657723 318344373 /nfs/dbraw/zinc/34/43/73/318344373.db2.gz HBEFGDIWYVTBGB-UHFFFAOYSA-N 1 2 305.385 2.997 20 30 DFEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc[nH+]1 ZINC000579670506 318345988 /nfs/dbraw/zinc/34/59/88/318345988.db2.gz LEEYHNXLBOMYKY-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000579957455 318366109 /nfs/dbraw/zinc/36/61/09/318366109.db2.gz BTYYKAQGWUGTPF-CYBMUJFWSA-N 1 2 301.302 2.537 20 30 DFEDLO C#CCNC(=O)c1ccccc1OCc1cn2cc(C)ccc2[nH+]1 ZINC000047057479 331499128 /nfs/dbraw/zinc/49/91/28/331499128.db2.gz GTUPGLSIKMCLOP-UHFFFAOYSA-N 1 2 319.364 2.585 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000068562864 331763578 /nfs/dbraw/zinc/76/35/78/331763578.db2.gz YIICPKZAWATUEC-INIZCTEOSA-N 1 2 312.417 2.712 20 30 DFEDLO CCCCc1noc([C@H](C)O[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000072920123 331933408 /nfs/dbraw/zinc/93/34/08/331933408.db2.gz HIRQBARGZBILOT-VIFPVBQESA-N 1 2 323.422 2.770 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2OCC)C1=O ZINC000569351749 332022265 /nfs/dbraw/zinc/02/22/65/332022265.db2.gz MRARNBPJRAGOSA-HNNXBMFYSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2OCC)C1=O ZINC000569351749 332022266 /nfs/dbraw/zinc/02/22/66/332022266.db2.gz MRARNBPJRAGOSA-HNNXBMFYSA-N 1 2 322.836 2.957 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000518542582 332077619 /nfs/dbraw/zinc/07/76/19/332077619.db2.gz ZZIWTIXWARYWAY-BJLQDIEVSA-N 1 2 321.424 2.903 20 30 DFEDLO CCCOc1c(C[NH+]2CCN(CC#N)CC2)cccc1OCC ZINC000092936304 332132391 /nfs/dbraw/zinc/13/23/91/332132391.db2.gz OJDFTLKDEHLFFO-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1Cl ZINC000092936094 332132487 /nfs/dbraw/zinc/13/24/87/332132487.db2.gz MGLUTNIUNFBSKD-UHFFFAOYSA-N 1 2 305.809 2.546 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000559653461 332275665 /nfs/dbraw/zinc/27/56/65/332275665.db2.gz HCZIKBGQHVKUNN-WMLDXEAASA-N 1 2 313.401 2.593 20 30 DFEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)no1 ZINC000109062353 332276587 /nfs/dbraw/zinc/27/65/87/332276587.db2.gz REPWBQCINPAYRH-UHFFFAOYSA-N 1 2 306.341 2.697 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccs1 ZINC000119931317 332327193 /nfs/dbraw/zinc/32/71/93/332327193.db2.gz YYZFAYJXRULVTC-UHFFFAOYSA-N 1 2 303.431 2.966 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccs1 ZINC000119931317 332327195 /nfs/dbraw/zinc/32/71/95/332327195.db2.gz YYZFAYJXRULVTC-UHFFFAOYSA-N 1 2 303.431 2.966 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000062465620 335101782 /nfs/dbraw/zinc/10/17/82/335101782.db2.gz GLGXCXSWQZCGTJ-UHFFFAOYSA-N 1 2 312.417 2.714 20 30 DFEDLO CN(C(=O)C[NH2+]C(C)(C)c1nccs1)C1(C#N)CCCCC1 ZINC000118848022 332357212 /nfs/dbraw/zinc/35/72/12/332357212.db2.gz YOSJZJAFRWKRGO-UHFFFAOYSA-N 1 2 320.462 2.653 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000153287405 332368403 /nfs/dbraw/zinc/36/84/03/332368403.db2.gz BYHYXQAQDQGCPF-INIZCTEOSA-N 1 2 321.465 3.000 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000293293752 335103369 /nfs/dbraw/zinc/10/33/69/335103369.db2.gz YOPAMGPLYNDXMO-CQSZACIVSA-N 1 2 302.422 2.562 20 30 DFEDLO COc1ccc(CCO[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000123194749 332419343 /nfs/dbraw/zinc/41/93/43/332419343.db2.gz UUMGMSRVHQZHPN-UHFFFAOYSA-N 1 2 305.403 2.534 20 30 DFEDLO C#CC[C@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000293201136 335105104 /nfs/dbraw/zinc/10/51/04/335105104.db2.gz URCWIZDOQNSUCG-IRXDYDNUSA-N 1 2 322.412 2.614 20 30 DFEDLO C#CC[C@H](Nc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000293201136 335105105 /nfs/dbraw/zinc/10/51/05/335105105.db2.gz URCWIZDOQNSUCG-IRXDYDNUSA-N 1 2 322.412 2.614 20 30 DFEDLO CC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nccs1 ZINC000185061720 335109713 /nfs/dbraw/zinc/10/97/13/335109713.db2.gz PKJWTFYLMOVMCP-LBPRGKRZSA-N 1 2 306.435 2.526 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185040855 335110615 /nfs/dbraw/zinc/11/06/15/335110615.db2.gz AVGRRFLFOOFOHT-AEFFLSMTSA-N 1 2 316.445 2.778 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)NCCCCC#N)cn2c1 ZINC000170904655 333042099 /nfs/dbraw/zinc/04/20/99/333042099.db2.gz IHKNTLDGSGBGBT-UHFFFAOYSA-N 1 2 316.430 2.686 20 30 DFEDLO COc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1OCCCC#N ZINC000171384253 333047676 /nfs/dbraw/zinc/04/76/76/333047676.db2.gz XVLRLJNHVCYUEE-UHFFFAOYSA-N 1 2 314.389 2.699 20 30 DFEDLO C=CCN(Cc1c[nH+]cn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000417759212 335118150 /nfs/dbraw/zinc/11/81/50/335118150.db2.gz WANYVZNBLQOKIH-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO C[C@@H](O[NH+]=C(N)c1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000174100681 333082100 /nfs/dbraw/zinc/08/21/00/333082100.db2.gz GCBPIRDVKZARJQ-MRVPVSSYSA-N 1 2 306.753 2.999 20 30 DFEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000174124070 333082419 /nfs/dbraw/zinc/08/24/19/333082419.db2.gz UXKXTBGXPHUWOB-JTQLQIEISA-N 1 2 316.361 2.548 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000491475265 333105851 /nfs/dbraw/zinc/10/58/51/333105851.db2.gz VEVVBHSCXDHIBL-SNVBAGLBSA-N 1 2 320.190 2.953 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000491475265 333105852 /nfs/dbraw/zinc/10/58/52/333105852.db2.gz VEVVBHSCXDHIBL-SNVBAGLBSA-N 1 2 320.190 2.953 20 30 DFEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCC1 ZINC000176635169 333116647 /nfs/dbraw/zinc/11/66/47/333116647.db2.gz KVIVVCZIGCKCKO-UHFFFAOYSA-N 1 2 322.412 2.826 20 30 DFEDLO COC(=O)C1(C/[NH+]=C/c2cc(OC)ccc2O)CCCCC1 ZINC000181281144 333168590 /nfs/dbraw/zinc/16/85/90/333168590.db2.gz JLDXCJSORUVMQC-WOJGMQOQSA-N 1 2 305.374 2.943 20 30 DFEDLO CC(C)(C#N)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000497167913 333196994 /nfs/dbraw/zinc/19/69/94/333196994.db2.gz LSMBPXRYBWGBMF-UHFFFAOYSA-N 1 2 315.417 2.927 20 30 DFEDLO CN(C)C(=O)COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185725343 333212732 /nfs/dbraw/zinc/21/27/32/333212732.db2.gz HDOOLVDQSZYLKY-DZGCQCFKSA-N 1 2 301.390 2.648 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000294821039 335127821 /nfs/dbraw/zinc/12/78/21/335127821.db2.gz CPURZMBUQKMTDO-CQSZACIVSA-N 1 2 322.474 2.758 20 30 DFEDLO CC(C)(C)n1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000191570539 333280866 /nfs/dbraw/zinc/28/08/66/333280866.db2.gz OXILMPKFFNDNFH-UHFFFAOYSA-N 1 2 314.393 2.723 20 30 DFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000364512056 333324633 /nfs/dbraw/zinc/32/46/33/333324633.db2.gz ANGBBPINOROWDB-CQSZACIVSA-N 1 2 311.385 2.501 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C#N)CCCCC1)C2 ZINC000364559772 333324991 /nfs/dbraw/zinc/32/49/91/333324991.db2.gz DFSKILDCSRPSTD-ZDUSSCGKSA-N 1 2 314.433 2.981 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CCCCC1)CC2 ZINC000364559772 333324992 /nfs/dbraw/zinc/32/49/92/333324992.db2.gz DFSKILDCSRPSTD-ZDUSSCGKSA-N 1 2 314.433 2.981 20 30 DFEDLO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364727882 333329935 /nfs/dbraw/zinc/32/99/35/333329935.db2.gz HSMGKQPMOHTAQA-GOEBONIOSA-N 1 2 322.412 2.873 20 30 DFEDLO CC#CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337681409 333456776 /nfs/dbraw/zinc/45/67/76/333456776.db2.gz NKQPAOWLFMQLON-OAHLLOKOSA-N 1 2 314.433 2.522 20 30 DFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)C[C@@H](COc2ccccc2)O1 ZINC000343345641 335145558 /nfs/dbraw/zinc/14/55/58/335145558.db2.gz QPXAXPRXRWNFER-INIZCTEOSA-N 1 2 300.402 2.849 20 30 DFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@@H](COc2ccccc2)O1 ZINC000343345641 335145560 /nfs/dbraw/zinc/14/55/60/335145560.db2.gz QPXAXPRXRWNFER-INIZCTEOSA-N 1 2 300.402 2.849 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000366403726 333527658 /nfs/dbraw/zinc/52/76/58/333527658.db2.gz KYKVAKNUDFTSEO-ZWKOTPCHSA-N 1 2 322.412 2.651 20 30 DFEDLO C=CCCCCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563390699 333598540 /nfs/dbraw/zinc/59/85/40/333598540.db2.gz DAURBGYOGYGWHL-LLVKDONJSA-N 1 2 303.328 2.929 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000268632417 333992687 /nfs/dbraw/zinc/99/26/87/333992687.db2.gz XROHBKYHFHOBGK-ZDUSSCGKSA-N 1 2 308.426 2.848 20 30 DFEDLO Cc1[nH+]ccn1CCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000271211380 334020420 /nfs/dbraw/zinc/02/04/20/334020420.db2.gz LZMXRRQZYCRNKP-UHFFFAOYSA-N 1 2 315.421 2.938 20 30 DFEDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000272249117 334032097 /nfs/dbraw/zinc/03/20/97/334032097.db2.gz HXCOZXSHGZJKTN-UHFFFAOYSA-N 1 2 304.781 2.608 20 30 DFEDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000272249117 334032098 /nfs/dbraw/zinc/03/20/98/334032098.db2.gz HXCOZXSHGZJKTN-UHFFFAOYSA-N 1 2 304.781 2.608 20 30 DFEDLO CC1(C#N)CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000272544900 334037018 /nfs/dbraw/zinc/03/70/18/334037018.db2.gz JZQCBICPFPSUFB-INIZCTEOSA-N 1 2 315.392 2.771 20 30 DFEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272625817 334038344 /nfs/dbraw/zinc/03/83/44/334038344.db2.gz VNUMIFVUGKPSTA-CYBMUJFWSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H](CC#N)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274791973 334066424 /nfs/dbraw/zinc/06/64/24/334066424.db2.gz OFXBFEWJNFNOPG-KBPBESRZSA-N 1 2 316.405 2.503 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@H+](CCC#N)Cc1ccco1 ZINC000278181182 334093371 /nfs/dbraw/zinc/09/33/71/334093371.db2.gz GWQJCZRYPFSSCR-UHFFFAOYSA-N 1 2 307.394 2.910 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000278181182 334093373 /nfs/dbraw/zinc/09/33/73/334093373.db2.gz GWQJCZRYPFSSCR-UHFFFAOYSA-N 1 2 307.394 2.910 20 30 DFEDLO N#CCc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278236293 334093772 /nfs/dbraw/zinc/09/37/72/334093772.db2.gz YTCDDTSTLSQAPE-JKSUJKDBSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278236293 334093773 /nfs/dbraw/zinc/09/37/73/334093773.db2.gz YTCDDTSTLSQAPE-JKSUJKDBSA-N 1 2 324.384 2.728 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C1=O ZINC000343606982 335176828 /nfs/dbraw/zinc/17/68/28/335176828.db2.gz RITJZIIFFHUFCJ-ZDUSSCGKSA-N 1 2 319.405 2.654 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C1=O ZINC000343606982 335176830 /nfs/dbraw/zinc/17/68/30/335176830.db2.gz RITJZIIFFHUFCJ-ZDUSSCGKSA-N 1 2 319.405 2.654 20 30 DFEDLO NC(=[NH+]OCc1cc(Br)ccc1F)[C@@H]1CCCO1 ZINC000283912852 334141771 /nfs/dbraw/zinc/14/17/71/334141771.db2.gz DQLSRAZRJKACGA-NSHDSACASA-N 1 2 317.158 2.556 20 30 DFEDLO NC(=[NH+]OCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000284010196 334142071 /nfs/dbraw/zinc/14/20/71/334142071.db2.gz HPVFKEHKKJZKEO-LBPRGKRZSA-N 1 2 318.295 2.596 20 30 DFEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000284013871 334142162 /nfs/dbraw/zinc/14/21/62/334142162.db2.gz HWFCKFPLZUPOKV-AAEUAGOBSA-N 1 2 301.346 2.870 20 30 DFEDLO NC(=[NH+]OCc1cc(F)ccc1Br)[C@H]1CCCO1 ZINC000284078136 334142274 /nfs/dbraw/zinc/14/22/74/334142274.db2.gz KJMPILFFCZRASQ-LLVKDONJSA-N 1 2 317.158 2.556 20 30 DFEDLO CSC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000284314911 334143031 /nfs/dbraw/zinc/14/30/31/334143031.db2.gz VZOSNEJPTLGKFD-MRXNPFEDSA-N 1 2 301.459 2.592 20 30 DFEDLO CSC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000284314911 334143032 /nfs/dbraw/zinc/14/30/32/334143032.db2.gz VZOSNEJPTLGKFD-MRXNPFEDSA-N 1 2 301.459 2.592 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000286133995 334151265 /nfs/dbraw/zinc/15/12/65/334151265.db2.gz QSRAECAWWWWZCS-CJNGLKHVSA-N 1 2 305.447 2.893 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000286208184 334152066 /nfs/dbraw/zinc/15/20/66/334152066.db2.gz QKLLYVLHNPYGGN-UHFFFAOYSA-N 1 2 301.358 2.527 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000286208184 334152067 /nfs/dbraw/zinc/15/20/67/334152067.db2.gz QKLLYVLHNPYGGN-UHFFFAOYSA-N 1 2 301.358 2.527 20 30 DFEDLO COc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000286497817 334153478 /nfs/dbraw/zinc/15/34/78/334153478.db2.gz PMNUJPPERLJVKW-HZPDHXFCSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000286497817 334153480 /nfs/dbraw/zinc/15/34/80/334153480.db2.gz PMNUJPPERLJVKW-HZPDHXFCSA-N 1 2 313.401 2.982 20 30 DFEDLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000292064931 334184050 /nfs/dbraw/zinc/18/40/50/334184050.db2.gz KISMTZJKQGDTDG-GFCCVEGCSA-N 1 2 300.305 2.564 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCc3nnc(N(C)C)cc3C2)c1 ZINC000366689199 334185858 /nfs/dbraw/zinc/18/58/58/334185858.db2.gz ZIVNWIPQHPSMSM-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCc3nnc(N(C)C)cc3C2)c1 ZINC000366689199 334185860 /nfs/dbraw/zinc/18/58/60/334185860.db2.gz ZIVNWIPQHPSMSM-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO CCC[C@@H](C)C(=O)NCC/[NH+]=C/c1cccc(OCC)c1O ZINC000292256777 334185995 /nfs/dbraw/zinc/18/59/95/334185995.db2.gz FFCUHNVSHYUGMI-RNEAKCBISA-N 1 2 306.406 2.762 20 30 DFEDLO CC(C)N1CCC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000292447976 334188247 /nfs/dbraw/zinc/18/82/47/334188247.db2.gz PDJCJWFSXNYDGC-FGTMMUONSA-N 1 2 311.429 2.625 20 30 DFEDLO CC(C)N1CCC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000292447976 334188250 /nfs/dbraw/zinc/18/82/50/334188250.db2.gz PDJCJWFSXNYDGC-FGTMMUONSA-N 1 2 311.429 2.625 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@]3(C#N)CC34CCCC4)cn2c1 ZINC000294575578 334210995 /nfs/dbraw/zinc/21/09/95/334210995.db2.gz PMJQHLYYQGGIIN-GOSISDBHSA-N 1 2 308.385 2.733 20 30 DFEDLO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000299423756 334255413 /nfs/dbraw/zinc/25/54/13/334255413.db2.gz XAKAOONMLYFJGX-CYBMUJFWSA-N 1 2 305.809 2.676 20 30 DFEDLO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000299423756 334255414 /nfs/dbraw/zinc/25/54/14/334255414.db2.gz XAKAOONMLYFJGX-CYBMUJFWSA-N 1 2 305.809 2.676 20 30 DFEDLO C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330520990 334786707 /nfs/dbraw/zinc/78/67/07/334786707.db2.gz HOYGQWRXWLZVJT-SNVBAGLBSA-N 1 2 304.316 2.734 20 30 DFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1C=CCCC1 ZINC000330979440 334827769 /nfs/dbraw/zinc/82/77/69/334827769.db2.gz MGOQRAKJCOTQHY-NSHDSACASA-N 1 2 316.327 2.900 20 30 DFEDLO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000331229277 334843238 /nfs/dbraw/zinc/84/32/38/334843238.db2.gz GHGANFJPJNXOFN-CYBMUJFWSA-N 1 2 306.406 2.541 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@@H]32)cc1Cl ZINC000343622208 335182126 /nfs/dbraw/zinc/18/21/26/335182126.db2.gz NPWLGXPVWKYNMG-HIFRSBDPSA-N 1 2 320.820 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@@H]32)cc1Cl ZINC000343622208 335182128 /nfs/dbraw/zinc/18/21/28/335182128.db2.gz NPWLGXPVWKYNMG-HIFRSBDPSA-N 1 2 320.820 2.615 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190892814 335253737 /nfs/dbraw/zinc/25/37/37/335253737.db2.gz BCHCNNHIPPJQBM-CYBMUJFWSA-N 1 2 321.852 2.962 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190892814 335253739 /nfs/dbraw/zinc/25/37/39/335253739.db2.gz BCHCNNHIPPJQBM-CYBMUJFWSA-N 1 2 321.852 2.962 20 30 DFEDLO CCN(CCC#N)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344696114 335267676 /nfs/dbraw/zinc/26/76/76/335267676.db2.gz UWSMTKYGWQRLOW-CYBMUJFWSA-N 1 2 311.389 2.639 20 30 DFEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000344671768 335270838 /nfs/dbraw/zinc/27/08/38/335270838.db2.gz GBLVPXZVQZLAJJ-KBPBESRZSA-N 1 2 305.426 2.595 20 30 DFEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000344671768 335270840 /nfs/dbraw/zinc/27/08/40/335270840.db2.gz GBLVPXZVQZLAJJ-KBPBESRZSA-N 1 2 305.426 2.595 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)ccc1OC ZINC000344818990 335280872 /nfs/dbraw/zinc/28/08/72/335280872.db2.gz AROPKVWVSGZBQQ-LSDHHAIUSA-N 1 2 309.381 2.555 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)ccc1OC ZINC000344818990 335280874 /nfs/dbraw/zinc/28/08/74/335280874.db2.gz AROPKVWVSGZBQQ-LSDHHAIUSA-N 1 2 309.381 2.555 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000345818853 335353221 /nfs/dbraw/zinc/35/32/21/335353221.db2.gz YIPCCMPYMMMIFI-MRXNPFEDSA-N 1 2 304.353 2.891 20 30 DFEDLO C#CC[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000366925673 335369049 /nfs/dbraw/zinc/36/90/49/335369049.db2.gz WWZPHVHUMJCMGE-KRWDZBQOSA-N 1 2 324.449 2.987 20 30 DFEDLO C#CC[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000366925673 335369051 /nfs/dbraw/zinc/36/90/51/335369051.db2.gz WWZPHVHUMJCMGE-KRWDZBQOSA-N 1 2 324.449 2.987 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000347711168 335518967 /nfs/dbraw/zinc/51/89/67/335518967.db2.gz YRLUDYPAVLAZNZ-IAQYHMDHSA-N 1 2 302.328 2.932 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000348326664 335577721 /nfs/dbraw/zinc/57/77/21/335577721.db2.gz TWYQFGQVERYVJI-GFCCVEGCSA-N 1 2 320.462 2.787 20 30 DFEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)cc(OC)c1OC ZINC000348714080 335604277 /nfs/dbraw/zinc/60/42/77/335604277.db2.gz XUTHOQNVQYSMPU-UHFFFAOYSA-N 1 2 308.353 2.540 20 30 DFEDLO COc1ccccc1-n1nccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348713237 335604303 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C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000192095666 337302363 /nfs/dbraw/zinc/30/23/63/337302363.db2.gz OJSTVRJFEPPGTC-AWEZNQCLSA-N 1 2 320.383 2.849 20 30 DFEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000192095666 337302364 /nfs/dbraw/zinc/30/23/64/337302364.db2.gz OJSTVRJFEPPGTC-AWEZNQCLSA-N 1 2 320.383 2.849 20 30 DFEDLO C[C@@]([NH2+]CC#Cc1ccccc1)(C(N)=O)c1cccc(Cl)c1 ZINC000192114478 337303023 /nfs/dbraw/zinc/30/30/23/337303023.db2.gz SNCDAEXGEHTSKF-SFHVURJKSA-N 1 2 312.800 2.682 20 30 DFEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000192186023 337303841 /nfs/dbraw/zinc/30/38/41/337303841.db2.gz NKFJZDLWESZAOJ-INIZCTEOSA-N 1 2 302.381 2.970 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000583852847 337342816 /nfs/dbraw/zinc/34/28/16/337342816.db2.gz SGBSINRGSUSYJY-CABCVRRESA-N 1 2 315.348 2.673 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425138412 337424964 /nfs/dbraw/zinc/42/49/64/337424964.db2.gz AJSTYFHXIUBHRY-ZBFHGGJFSA-N 1 2 310.401 2.940 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(CCC#N)CC1 ZINC000571911873 337582620 /nfs/dbraw/zinc/58/26/20/337582620.db2.gz IEPFEFKCAMOAGZ-ZDUSSCGKSA-N 1 2 303.410 2.689 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccccc2OCCCC)nn1 ZINC000424170108 337791549 /nfs/dbraw/zinc/79/15/49/337791549.db2.gz JEOKSECVAFMNKW-UHFFFAOYSA-N 1 2 300.406 2.933 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)nn1 ZINC000424297864 337817173 /nfs/dbraw/zinc/81/71/73/337817173.db2.gz REOSZDXMYDLTCF-CQSZACIVSA-N 1 2 304.394 2.930 20 30 DFEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc2n1 ZINC000516476782 338013330 /nfs/dbraw/zinc/01/33/30/338013330.db2.gz XICMTFLLHHIOBN-IBGZPJMESA-N 1 2 324.428 2.932 20 30 DFEDLO C=CCOc1cccc(C[N@H+](CCOC)Cc2ccnn2C)c1 ZINC000426499757 338033670 /nfs/dbraw/zinc/03/36/70/338033670.db2.gz LDOCFPNWHNDZJQ-UHFFFAOYSA-N 1 2 315.417 2.634 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](CCOC)Cc2ccnn2C)c1 ZINC000426499757 338033671 /nfs/dbraw/zinc/03/36/71/338033671.db2.gz LDOCFPNWHNDZJQ-UHFFFAOYSA-N 1 2 315.417 2.634 20 30 DFEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429007411 338068506 /nfs/dbraw/zinc/06/85/06/338068506.db2.gz JZRZMTHEPAAZLB-GFCCVEGCSA-N 1 2 313.170 2.515 20 30 DFEDLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1 ZINC000429005874 338068591 /nfs/dbraw/zinc/06/85/91/338068591.db2.gz SPVODKRVYDOQSB-MOPGFXCFSA-N 1 2 319.408 2.785 20 30 DFEDLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1 ZINC000429005874 338068592 /nfs/dbraw/zinc/06/85/92/338068592.db2.gz SPVODKRVYDOQSB-MOPGFXCFSA-N 1 2 319.408 2.785 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000432562472 338159075 /nfs/dbraw/zinc/15/90/75/338159075.db2.gz KZFNDQWWUDJNCD-UHFFFAOYSA-N 1 2 316.449 2.824 20 30 DFEDLO COCCc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)no1 ZINC000433017044 338176445 /nfs/dbraw/zinc/17/64/45/338176445.db2.gz WVTQWXHSXJEAHT-HNNXBMFYSA-N 1 2 314.389 2.783 20 30 DFEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC(C)(C)C#N ZINC000433289857 338189512 /nfs/dbraw/zinc/18/95/12/338189512.db2.gz RIMDPELLZMOOHB-ZDUSSCGKSA-N 1 2 317.458 2.995 20 30 DFEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC(C)(C)C#N ZINC000433289857 338189513 /nfs/dbraw/zinc/18/95/13/338189513.db2.gz RIMDPELLZMOOHB-ZDUSSCGKSA-N 1 2 317.458 2.995 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433300974 338190552 /nfs/dbraw/zinc/19/05/52/338190552.db2.gz UPYKOQWCXZFVHV-UHFFFAOYSA-N 1 2 307.360 2.515 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433300974 338190553 /nfs/dbraw/zinc/19/05/53/338190553.db2.gz UPYKOQWCXZFVHV-UHFFFAOYSA-N 1 2 307.360 2.515 20 30 DFEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433314795 338191759 /nfs/dbraw/zinc/19/17/59/338191759.db2.gz WKFKYFAJTDLDHB-AWEZNQCLSA-N 1 2 317.433 2.696 20 30 DFEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433314795 338191760 /nfs/dbraw/zinc/19/17/60/338191760.db2.gz WKFKYFAJTDLDHB-AWEZNQCLSA-N 1 2 317.433 2.696 20 30 DFEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000433320671 338192218 /nfs/dbraw/zinc/19/22/18/338192218.db2.gz VIJZJZGKMGXHQW-UHFFFAOYSA-N 1 2 303.450 2.553 20 30 DFEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000433320671 338192219 /nfs/dbraw/zinc/19/22/19/338192219.db2.gz VIJZJZGKMGXHQW-UHFFFAOYSA-N 1 2 303.450 2.553 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433496230 338195881 /nfs/dbraw/zinc/19/58/81/338195881.db2.gz DVOCWSCKMLFUBA-DZKIICNBSA-N 1 2 320.437 2.684 20 30 DFEDLO C=CCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000448542068 338202019 /nfs/dbraw/zinc/20/20/19/338202019.db2.gz KIJBBMZPJNFCGQ-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=CCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000448542068 338202020 /nfs/dbraw/zinc/20/20/20/338202020.db2.gz KIJBBMZPJNFCGQ-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434623886 338221484 /nfs/dbraw/zinc/22/14/84/338221484.db2.gz NQFSTXPJPZYHIH-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434623886 338221485 /nfs/dbraw/zinc/22/14/85/338221485.db2.gz NQFSTXPJPZYHIH-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCC[C@H](NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)OCC ZINC000449657613 338644686 /nfs/dbraw/zinc/64/46/86/338644686.db2.gz PZLYBEYOOWKXPO-AWEZNQCLSA-N 1 2 321.808 2.975 20 30 DFEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000451506017 338736960 /nfs/dbraw/zinc/73/69/60/338736960.db2.gz TYDBGOHIOCQMLY-INIZCTEOSA-N 1 2 308.466 2.692 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(CC#N)c1 ZINC000455910177 338914018 /nfs/dbraw/zinc/91/40/18/338914018.db2.gz UBAHDSGKVQCRTJ-UHFFFAOYSA-N 1 2 323.400 2.949 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCC3)ccc2n1[C@H](C)CO ZINC000456702145 338937541 /nfs/dbraw/zinc/93/75/41/338937541.db2.gz GLPMBLWNBQPQSE-LLVKDONJSA-N 1 2 312.373 2.530 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456706197 338937686 /nfs/dbraw/zinc/93/76/86/338937686.db2.gz VHMVKQLZHPIGKX-GTNSWQLSSA-N 1 2 314.389 2.776 20 30 DFEDLO CC(C)(CC#N)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000457608614 338971929 /nfs/dbraw/zinc/97/19/29/338971929.db2.gz SVWPUJPHKLDONM-UHFFFAOYSA-N 1 2 319.796 2.727 20 30 DFEDLO C=CCC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000458567469 339001024 /nfs/dbraw/zinc/00/10/24/339001024.db2.gz HZGAHVVSMUQHGB-QGZVFWFLSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CC[C@H]1N(C(=O)NCCc2cn(C)c[nH+]2)CCCC1(C)C ZINC000459155115 339014961 /nfs/dbraw/zinc/01/49/61/339014961.db2.gz UTNOSOKTIFPKOH-OAHLLOKOSA-N 1 2 304.438 2.739 20 30 DFEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459224414 339016719 /nfs/dbraw/zinc/01/67/19/339016719.db2.gz AHUMGMFPXLMGOC-UHFFFAOYSA-N 1 2 320.462 2.515 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1C ZINC000459467471 339030941 /nfs/dbraw/zinc/03/09/41/339030941.db2.gz PRUXDWGBKQUKQP-IRXDYDNUSA-N 1 2 324.428 2.832 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000491784653 339881444 /nfs/dbraw/zinc/88/14/44/339881444.db2.gz SUYAVFNSSJTPIY-QGZVFWFLSA-N 1 2 310.401 2.533 20 30 DFEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000492852838 339910683 /nfs/dbraw/zinc/91/06/83/339910683.db2.gz ACMDYAXXHSPCFF-DSYXLKISSA-N 1 2 320.274 2.823 20 30 DFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493790117 339933619 /nfs/dbraw/zinc/93/36/19/339933619.db2.gz OXPDAPGCGPCCDJ-SREVYHEPSA-N 1 2 312.329 2.546 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000494916075 339964646 /nfs/dbraw/zinc/96/46/46/339964646.db2.gz GUUCGUPCKBSYLH-NSHDSACASA-N 1 2 316.327 2.696 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)CC1 ZINC000496482825 340006454 /nfs/dbraw/zinc/00/64/54/340006454.db2.gz WLEMWERXJRYYBW-OAHLLOKOSA-N 1 2 305.422 2.767 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCCC2)CC1 ZINC000496482825 340006455 /nfs/dbraw/zinc/00/64/55/340006455.db2.gz WLEMWERXJRYYBW-OAHLLOKOSA-N 1 2 305.422 2.767 20 30 DFEDLO N#CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000541912820 340989025 /nfs/dbraw/zinc/98/90/25/340989025.db2.gz LSLNRBPLNFFLPO-UHFFFAOYSA-N 1 2 323.400 2.708 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000544354770 341077761 /nfs/dbraw/zinc/07/77/61/341077761.db2.gz PFOFRDOHLWLDPU-INIZCTEOSA-N 1 2 316.449 2.966 20 30 DFEDLO CC#CCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000544788142 341093902 /nfs/dbraw/zinc/09/39/02/341093902.db2.gz NVMVMPSNEPMBLR-UHFFFAOYSA-N 1 2 321.424 2.756 20 30 DFEDLO CC#CCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000544788142 341093903 /nfs/dbraw/zinc/09/39/03/341093903.db2.gz NVMVMPSNEPMBLR-UHFFFAOYSA-N 1 2 321.424 2.756 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000545961923 341148659 /nfs/dbraw/zinc/14/86/59/341148659.db2.gz UZMCOXAONAUJRN-OAHLLOKOSA-N 1 2 307.463 2.930 20 30 DFEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000133060215 341153389 /nfs/dbraw/zinc/15/33/89/341153389.db2.gz OCRIVHAMUPPNFB-UHFFFAOYSA-N 1 2 312.200 2.776 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000546617433 341175009 /nfs/dbraw/zinc/17/50/09/341175009.db2.gz HJLYOBFWJLPXDO-UUCFBXCCSA-N 1 2 317.458 2.893 20 30 DFEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000133787274 341187856 /nfs/dbraw/zinc/18/78/56/341187856.db2.gz JXSXQBJOXGJGOY-GFCCVEGCSA-N 1 2 311.341 2.503 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548279374 341254112 /nfs/dbraw/zinc/25/41/12/341254112.db2.gz HJHUTNIIVZGPEB-CVEARBPZSA-N 1 2 323.400 2.542 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000548499681 341264303 /nfs/dbraw/zinc/26/43/03/341264303.db2.gz RFUSDYAZMQCLLK-KRWDZBQOSA-N 1 2 312.413 2.668 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000548499681 341264304 /nfs/dbraw/zinc/26/43/04/341264304.db2.gz RFUSDYAZMQCLLK-KRWDZBQOSA-N 1 2 312.413 2.668 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548610749 341267141 /nfs/dbraw/zinc/26/71/41/341267141.db2.gz LNZCXCBXSCQDMP-KRWDZBQOSA-N 1 2 324.428 2.638 20 30 DFEDLO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661713 341268953 /nfs/dbraw/zinc/26/89/53/341268953.db2.gz LJJJOLXBNYNLSM-INIZCTEOSA-N 1 2 316.449 2.976 20 30 DFEDLO C[C@H](C#N)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000248449224 341378139 /nfs/dbraw/zinc/37/81/39/341378139.db2.gz OLEGSFXRDHUBQL-XYPHTWIQSA-N 1 2 323.400 2.571 20 30 DFEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552228693 341379662 /nfs/dbraw/zinc/37/96/62/341379662.db2.gz PCWULIQEHPNWMX-WKILWMFISA-N 1 2 317.433 2.904 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(COC(C)C)cc1 ZINC000566428809 341557760 /nfs/dbraw/zinc/55/77/60/341557760.db2.gz KVJVLQWATSYCGR-KRWDZBQOSA-N 1 2 317.433 2.510 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000302129049 527233671 /nfs/dbraw/zinc/23/36/71/527233671.db2.gz JNJAAMSVTWTUCG-HNNXBMFYSA-N 1 2 306.369 2.847 20 30 DFEDLO Cn1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(F)cc2)n1 ZINC000365129471 527370707 /nfs/dbraw/zinc/37/07/07/527370707.db2.gz AABPBNGFTNCRNA-SFHVURJKSA-N 1 2 323.375 2.649 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCCOC2)O1 ZINC000369551732 536152067 /nfs/dbraw/zinc/15/20/67/536152067.db2.gz PFWLDLJOVNWFLI-WMZOPIPTSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCCOC2)O1 ZINC000369551732 536152071 /nfs/dbraw/zinc/15/20/71/536152071.db2.gz PFWLDLJOVNWFLI-WMZOPIPTSA-N 1 2 318.392 2.857 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000683867992 546110591 /nfs/dbraw/zinc/11/05/91/546110591.db2.gz MXIPROURKZNUBP-HZPDHXFCSA-N 1 2 311.385 2.674 20 30 DFEDLO C=CCOCCCC(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000685882051 546404416 /nfs/dbraw/zinc/40/44/16/546404416.db2.gz QIVLRDVUQSMQJF-HNNXBMFYSA-N 1 2 305.422 2.939 20 30 DFEDLO C#CCC(CC#C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000278482282 214182516 /nfs/dbraw/zinc/18/25/16/214182516.db2.gz XZVSBARLGSEKBX-UHFFFAOYSA-N 1 2 323.440 2.741 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/CCCN(C)c2ccccc2)c1O ZINC000005111059 398350425 /nfs/dbraw/zinc/35/04/25/398350425.db2.gz USHOGGZHEICWHB-XDHOZWIPSA-N 1 2 313.401 2.533 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(O)c(=O)c1 ZINC000596202423 398355840 /nfs/dbraw/zinc/35/58/40/398355840.db2.gz UWTJKBARBVELEF-CYBMUJFWSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(O)c(=O)c1 ZINC000596202423 398355843 /nfs/dbraw/zinc/35/58/43/398355843.db2.gz UWTJKBARBVELEF-CYBMUJFWSA-N 1 2 300.402 3.000 20 30 DFEDLO Cc1cccc2[nH+]c(CCNc3nnc(C)c(C)c3C#N)cn21 ZINC000592007049 398371911 /nfs/dbraw/zinc/37/19/11/398371911.db2.gz YHYVOEVGZGNFCU-UHFFFAOYSA-N 1 2 306.373 2.576 20 30 DFEDLO Cc1nnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1C ZINC000066372282 398372394 /nfs/dbraw/zinc/37/23/94/398372394.db2.gz LPUJKBMJUGEVII-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCC1 ZINC000081932188 398375288 /nfs/dbraw/zinc/37/52/88/398375288.db2.gz MZBMBPZNQDKBEV-UHFFFAOYSA-N 1 2 322.412 2.826 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@H](C)C#N ZINC000066424376 398376207 /nfs/dbraw/zinc/37/62/07/398376207.db2.gz FENKZVIEOPLITF-ZIAGYGMSSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@H](C)C#N ZINC000066424376 398376211 /nfs/dbraw/zinc/37/62/11/398376211.db2.gz FENKZVIEOPLITF-ZIAGYGMSSA-N 1 2 305.447 2.893 20 30 DFEDLO C=C(C)Cc1cccc(C(=O)OC)c1OCc1c[nH+]cn1C ZINC000596288118 398377920 /nfs/dbraw/zinc/37/79/20/398377920.db2.gz AKXOGHFSRBPUJJ-UHFFFAOYSA-N 1 2 300.358 2.904 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3ccncc3C#N)C2)no1 ZINC000592066357 398378490 /nfs/dbraw/zinc/37/84/90/398378490.db2.gz WJNJKEJAMLPKTQ-CQSZACIVSA-N 1 2 311.389 2.839 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)no1 ZINC000592066357 398378494 /nfs/dbraw/zinc/37/84/94/398378494.db2.gz WJNJKEJAMLPKTQ-CQSZACIVSA-N 1 2 311.389 2.839 20 30 DFEDLO COC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)c(F)c1 ZINC000592097206 398383462 /nfs/dbraw/zinc/38/34/62/398383462.db2.gz GWHQPJUUVVKSFB-INIZCTEOSA-N 1 2 303.312 2.709 20 30 DFEDLO Cc1nc(N2CCC[C@H](CC#N)C2)c(Br)c(C)[nH+]1 ZINC000596325729 398386796 /nfs/dbraw/zinc/38/67/96/398386796.db2.gz MMBIAEMJASACJR-LLVKDONJSA-N 1 2 309.211 2.986 20 30 DFEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccncc1C#N ZINC000592124934 398388215 /nfs/dbraw/zinc/38/82/15/398388215.db2.gz NGBSYYQHZGGHBR-ZFWWWQNUSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccncc1C#N ZINC000592124934 398388218 /nfs/dbraw/zinc/38/82/18/398388218.db2.gz NGBSYYQHZGGHBR-ZFWWWQNUSA-N 1 2 315.417 2.895 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC(c2ccco2)CC1 ZINC000596334984 398388273 /nfs/dbraw/zinc/38/82/73/398388273.db2.gz WCSFJHIRLJEOQJ-UHFFFAOYSA-N 1 2 322.372 2.717 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccncc1C#N ZINC000592124932 398388496 /nfs/dbraw/zinc/38/84/96/398388496.db2.gz NGBSYYQHZGGHBR-HIFRSBDPSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccncc1C#N ZINC000592124932 398388499 /nfs/dbraw/zinc/38/84/99/398388499.db2.gz NGBSYYQHZGGHBR-HIFRSBDPSA-N 1 2 315.417 2.895 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1Cl ZINC000581226423 398389344 /nfs/dbraw/zinc/38/93/44/398389344.db2.gz BORGJQCHPQQKNO-CYBMUJFWSA-N 1 2 300.189 2.567 20 30 DFEDLO C=CCC[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)C(=O)OCC ZINC000581410082 398390773 /nfs/dbraw/zinc/39/07/73/398390773.db2.gz QAMSPMXWOXFPMV-KRWDZBQOSA-N 1 2 313.401 2.860 20 30 DFEDLO Cc1nc(N2CCN(c3ccsc3C#N)CC2)c(C)c(C)[nH+]1 ZINC000596353023 398392782 /nfs/dbraw/zinc/39/27/82/398392782.db2.gz RNVLVIVXGZQRMR-UHFFFAOYSA-N 1 2 313.430 2.662 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592192065 398400223 /nfs/dbraw/zinc/40/02/23/398400223.db2.gz GMTXAVQWIGFFHX-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592192065 398400227 /nfs/dbraw/zinc/40/02/27/398400227.db2.gz GMTXAVQWIGFFHX-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO CC[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000250210915 398416657 /nfs/dbraw/zinc/41/66/57/398416657.db2.gz COFOCYFWSWFVPV-LLVKDONJSA-N 1 2 308.223 2.851 20 30 DFEDLO CC[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000250210915 398416662 /nfs/dbraw/zinc/41/66/62/398416662.db2.gz COFOCYFWSWFVPV-LLVKDONJSA-N 1 2 308.223 2.851 20 30 DFEDLO Cc1nnc(NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)c1C ZINC000024056159 398428136 /nfs/dbraw/zinc/42/81/36/398428136.db2.gz NWJDESPORJABLV-UHFFFAOYSA-N 1 2 308.389 2.572 20 30 DFEDLO Cc1cc(N2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000596469212 398421134 /nfs/dbraw/zinc/42/11/34/398421134.db2.gz OYQYAKAXCQINCW-ZWKOTPCHSA-N 1 2 307.397 2.864 20 30 DFEDLO C[C@]1(CCNc2[nH+]cnc3c2cnn3CCC#N)CC1(F)F ZINC000596475776 398423368 /nfs/dbraw/zinc/42/33/68/398423368.db2.gz MSKRMLKJELULMB-ZDUSSCGKSA-N 1 2 306.320 2.587 20 30 DFEDLO CCOc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(Cl)c1OC ZINC000592524397 398441806 /nfs/dbraw/zinc/44/18/06/398441806.db2.gz XHVDFPUGXIQVTF-INIZCTEOSA-N 1 2 324.808 2.598 20 30 DFEDLO CCOc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(Cl)c1OC ZINC000592524397 398441808 /nfs/dbraw/zinc/44/18/08/398441808.db2.gz XHVDFPUGXIQVTF-INIZCTEOSA-N 1 2 324.808 2.598 20 30 DFEDLO CN(C(=O)C[NH+]1CC(C)(C)OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000190542317 334947127 /nfs/dbraw/zinc/94/71/27/334947127.db2.gz ZZDGUKQOAVWVND-UHFFFAOYSA-N 1 2 321.465 2.561 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000592522448 398440997 /nfs/dbraw/zinc/44/09/97/398440997.db2.gz NHXFOXSUISKFAQ-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000592522448 398441000 /nfs/dbraw/zinc/44/10/00/398441000.db2.gz NHXFOXSUISKFAQ-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000592522369 398441241 /nfs/dbraw/zinc/44/12/41/398441241.db2.gz MPPBLYHSGBHTQM-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000592522369 398441244 /nfs/dbraw/zinc/44/12/44/398441244.db2.gz MPPBLYHSGBHTQM-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286718988 219126395 /nfs/dbraw/zinc/12/63/95/219126395.db2.gz XEDFDARCEJPTMT-GXTWGEPZSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286718988 219126396 /nfs/dbraw/zinc/12/63/96/219126396.db2.gz XEDFDARCEJPTMT-GXTWGEPZSA-N 1 2 316.298 2.690 20 30 DFEDLO Cc1c(Cl)cnc(N2CCC[C@@H]2Cn2cc[nH+]c2)c1C#N ZINC000273335897 398450342 /nfs/dbraw/zinc/45/03/42/398450342.db2.gz MRXPZYVJMQEFGS-GFCCVEGCSA-N 1 2 301.781 2.781 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H]2CCCC[C@@H]21 ZINC000596572111 398450490 /nfs/dbraw/zinc/45/04/90/398450490.db2.gz KRWMBJPIXSYXBM-ZFWWWQNUSA-N 1 2 310.405 2.899 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596618072 398461881 /nfs/dbraw/zinc/46/18/81/398461881.db2.gz JWCFOOOESVFDOX-UHFFFAOYSA-N 1 2 319.412 2.507 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596618072 398461884 /nfs/dbraw/zinc/46/18/84/398461884.db2.gz JWCFOOOESVFDOX-UHFFFAOYSA-N 1 2 319.412 2.507 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000028658082 398474921 /nfs/dbraw/zinc/47/49/21/398474921.db2.gz KYVAENURAJTSHJ-BBRMVZONSA-N 1 2 311.364 2.682 20 30 DFEDLO COc1cccc([C@H](Nc2ccc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000028743293 398476080 /nfs/dbraw/zinc/47/60/80/398476080.db2.gz CXNOKOKWHCRWGY-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cc(C)ccc1Cl ZINC000292038436 398481434 /nfs/dbraw/zinc/48/14/34/398481434.db2.gz AEXTUEGKZJCLRW-AWEZNQCLSA-N 1 2 308.809 2.790 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cc(C)ccc1Cl ZINC000292038436 398481437 /nfs/dbraw/zinc/48/14/37/398481437.db2.gz AEXTUEGKZJCLRW-AWEZNQCLSA-N 1 2 308.809 2.790 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000596718540 398485376 /nfs/dbraw/zinc/48/53/76/398485376.db2.gz ZQDKXLAPJFWBQJ-UHFFFAOYSA-N 1 2 308.451 2.608 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000596718540 398485379 /nfs/dbraw/zinc/48/53/79/398485379.db2.gz ZQDKXLAPJFWBQJ-UHFFFAOYSA-N 1 2 308.451 2.608 20 30 DFEDLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc(C#N)c1 ZINC000588629106 398500007 /nfs/dbraw/zinc/50/00/07/398500007.db2.gz YEATZWMLXJWYRA-LBPRGKRZSA-N 1 2 321.371 2.713 20 30 DFEDLO C[C@@H]1Oc2ccccc2[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588858447 398512284 /nfs/dbraw/zinc/51/22/84/398512284.db2.gz KYLQNGXKGIJBEC-NHYWBVRUSA-N 1 2 320.356 2.674 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000596908096 398527074 /nfs/dbraw/zinc/52/70/74/398527074.db2.gz XVBMLIDBARXRKX-CZUORRHYSA-N 1 2 322.412 2.996 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000596908096 398527076 /nfs/dbraw/zinc/52/70/76/398527076.db2.gz XVBMLIDBARXRKX-CZUORRHYSA-N 1 2 322.412 2.996 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](CC)CO1 ZINC000593058292 398534032 /nfs/dbraw/zinc/53/40/32/398534032.db2.gz LBOIPHKBKVRQBG-HZPDHXFCSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](CC)CO1 ZINC000593058292 398534034 /nfs/dbraw/zinc/53/40/34/398534034.db2.gz LBOIPHKBKVRQBG-HZPDHXFCSA-N 1 2 321.465 2.561 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)c3cc(O)cc(C#N)c3)ccc2n1C ZINC000589187616 398535034 /nfs/dbraw/zinc/53/50/34/398535034.db2.gz CVOYBSZMIGLCKI-UHFFFAOYSA-N 1 2 306.325 2.711 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)CO1 ZINC000593063787 398536048 /nfs/dbraw/zinc/53/60/48/398536048.db2.gz NDLWCGAMBPJPGE-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)CO1 ZINC000593063787 398536051 /nfs/dbraw/zinc/53/60/51/398536051.db2.gz NDLWCGAMBPJPGE-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593071740 398537487 /nfs/dbraw/zinc/53/74/87/398537487.db2.gz ADJSNYHIQIUFKV-CQSZACIVSA-N 1 2 320.339 2.894 20 30 DFEDLO CCN(CCOC)c1cccc(CN2CCC[C@](C)(C#N)C2)[nH+]1 ZINC000589258782 398541862 /nfs/dbraw/zinc/54/18/62/398541862.db2.gz KJELJEBVOLJVQJ-GOSISDBHSA-N 1 2 316.449 2.680 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000589258782 398541865 /nfs/dbraw/zinc/54/18/65/398541865.db2.gz KJELJEBVOLJVQJ-GOSISDBHSA-N 1 2 316.449 2.680 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000589258782 398541870 /nfs/dbraw/zinc/54/18/70/398541870.db2.gz KJELJEBVOLJVQJ-GOSISDBHSA-N 1 2 316.449 2.680 20 30 DFEDLO CCN(CCOC)c1cccc(CN2CCC[C@@](C)(C#N)C2)[nH+]1 ZINC000589258783 398542117 /nfs/dbraw/zinc/54/21/17/398542117.db2.gz KJELJEBVOLJVQJ-SFHVURJKSA-N 1 2 316.449 2.680 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000589258783 398542119 /nfs/dbraw/zinc/54/21/19/398542119.db2.gz KJELJEBVOLJVQJ-SFHVURJKSA-N 1 2 316.449 2.680 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000589258783 398542120 /nfs/dbraw/zinc/54/21/20/398542120.db2.gz KJELJEBVOLJVQJ-SFHVURJKSA-N 1 2 316.449 2.680 20 30 DFEDLO C=CCN(Cc1c[nH+]c2n1CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000596995438 398543257 /nfs/dbraw/zinc/54/32/57/398543257.db2.gz IWIFZZGKGOBNNS-UHFFFAOYSA-N 1 2 312.373 2.926 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000123907328 185855381 /nfs/dbraw/zinc/85/53/81/185855381.db2.gz SLIDNAVTDBVICV-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000123907328 185855383 /nfs/dbraw/zinc/85/53/83/185855383.db2.gz SLIDNAVTDBVICV-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000593119761 398550613 /nfs/dbraw/zinc/55/06/13/398550613.db2.gz GACNMOCUPUKBKH-GOSISDBHSA-N 1 2 303.365 2.679 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000593119761 398550615 /nfs/dbraw/zinc/55/06/15/398550615.db2.gz GACNMOCUPUKBKH-GOSISDBHSA-N 1 2 303.365 2.679 20 30 DFEDLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593127756 398553631 /nfs/dbraw/zinc/55/36/31/398553631.db2.gz VTTULUBSTWHPFL-QGZVFWFLSA-N 1 2 311.429 2.911 20 30 DFEDLO CC(C)(C)CN1CCC[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593127756 398553637 /nfs/dbraw/zinc/55/36/37/398553637.db2.gz VTTULUBSTWHPFL-QGZVFWFLSA-N 1 2 311.429 2.911 20 30 DFEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597074815 398560131 /nfs/dbraw/zinc/56/01/31/398560131.db2.gz FMZWMOQCDKXSKO-HOTGVXAUSA-N 1 2 310.401 2.986 20 30 DFEDLO N#CC1(CC(=O)NCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000597083912 398564166 /nfs/dbraw/zinc/56/41/66/398564166.db2.gz PESKWGJUMWBGHO-UHFFFAOYSA-N 1 2 300.406 2.700 20 30 DFEDLO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@@H]1CCOC1 ZINC000589747913 398574072 /nfs/dbraw/zinc/57/40/72/398574072.db2.gz NESSAYPUBWNAHN-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@@H]1CCOC1 ZINC000589747913 398574077 /nfs/dbraw/zinc/57/40/77/398574077.db2.gz NESSAYPUBWNAHN-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO N#CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000042044890 398580838 /nfs/dbraw/zinc/58/08/38/398580838.db2.gz XPUIKAIJEWOICI-UHFFFAOYSA-N 1 2 308.385 2.632 20 30 DFEDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ncnn21 ZINC000597181966 398584123 /nfs/dbraw/zinc/58/41/23/398584123.db2.gz PUWFGLUMEVNEAF-TVQRCGJNSA-N 1 2 321.306 2.964 20 30 DFEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590053231 398592318 /nfs/dbraw/zinc/59/23/18/398592318.db2.gz BGCWMSZSXGWHDY-YOEHRIQHSA-N 1 2 322.412 2.992 20 30 DFEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590053229 398592564 /nfs/dbraw/zinc/59/25/64/398592564.db2.gz BGCWMSZSXGWHDY-WMLDXEAASA-N 1 2 322.412 2.992 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000590053281 398592602 /nfs/dbraw/zinc/59/26/02/398592602.db2.gz OEMITDAXGDQNNL-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CN(c1ccccc1)c1cc(NC2CCN(CC#N)CC2)[nH+]cn1 ZINC000590080924 398594579 /nfs/dbraw/zinc/59/45/79/398594579.db2.gz RWDABHGEVYLFLM-UHFFFAOYSA-N 1 2 322.416 2.644 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000597248640 398606536 /nfs/dbraw/zinc/60/65/36/398606536.db2.gz CMLWVDRQROFPCK-CKEIUWERSA-N 1 2 300.406 2.502 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)C2 ZINC000597249741 398607385 /nfs/dbraw/zinc/60/73/85/398607385.db2.gz ZGGDMTUARYJAID-FZKQIMNGSA-N 1 2 314.433 2.802 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)CC2 ZINC000597249741 398607387 /nfs/dbraw/zinc/60/73/87/398607387.db2.gz ZGGDMTUARYJAID-FZKQIMNGSA-N 1 2 314.433 2.802 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)CC#N)CC2)s1 ZINC000597276836 398612790 /nfs/dbraw/zinc/61/27/90/398612790.db2.gz SJFFAEHSFHJWIM-ZDUSSCGKSA-N 1 2 305.447 2.504 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000351188228 398622162 /nfs/dbraw/zinc/62/21/62/398622162.db2.gz KYQRUCZFXNDBDT-RBSFLKMASA-N 1 2 321.421 2.690 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000351188228 398622163 /nfs/dbraw/zinc/62/21/63/398622163.db2.gz KYQRUCZFXNDBDT-RBSFLKMASA-N 1 2 321.421 2.690 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000280758812 334970317 /nfs/dbraw/zinc/97/03/17/334970317.db2.gz YMEJFUYASLRWPP-PVAVHDDUSA-N 1 2 303.402 2.780 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093323326 398631189 /nfs/dbraw/zinc/63/11/89/398631189.db2.gz HPZWLLHZRCSHEX-CQSZACIVSA-N 1 2 304.390 2.753 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093323326 398631192 /nfs/dbraw/zinc/63/11/92/398631192.db2.gz HPZWLLHZRCSHEX-CQSZACIVSA-N 1 2 304.390 2.753 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000597423040 398637964 /nfs/dbraw/zinc/63/79/64/398637964.db2.gz TUYSNFIRBQMIQV-OAGGEKHMSA-N 1 2 308.385 2.685 20 30 DFEDLO N#CC1(CC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000597420339 398638053 /nfs/dbraw/zinc/63/80/53/398638053.db2.gz NMKJLGCLNPZHAR-CQSZACIVSA-N 1 2 300.406 2.741 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597435058 398639960 /nfs/dbraw/zinc/63/99/60/398639960.db2.gz HHWTVPKRDDPANI-CQSZACIVSA-N 1 2 300.406 2.600 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000177904328 186201466 /nfs/dbraw/zinc/20/14/66/186201466.db2.gz BZHRIHRRYKRXDQ-UHFFFAOYSA-N 1 2 313.336 2.763 20 30 DFEDLO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000593498084 398646715 /nfs/dbraw/zinc/64/67/15/398646715.db2.gz TVTQFGGKZDUEQC-ZDUSSCGKSA-N 1 2 308.385 2.511 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281098627 334972709 /nfs/dbraw/zinc/97/27/09/334972709.db2.gz QOWBQZZHVRPHBM-CJNGLKHVSA-N 1 2 314.389 2.745 20 30 DFEDLO CCc1cccc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000593510346 398649750 /nfs/dbraw/zinc/64/97/50/398649750.db2.gz UXIBRDCSDSNLQT-UHFFFAOYSA-N 1 2 306.373 2.914 20 30 DFEDLO N#Cc1cccc2c1CN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000593520255 398651506 /nfs/dbraw/zinc/65/15/06/398651506.db2.gz MTQXIJDOWSTIMP-UHFFFAOYSA-N 1 2 305.385 2.859 20 30 DFEDLO N#Cc1cccc2c1CN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000593520255 398651509 /nfs/dbraw/zinc/65/15/09/398651509.db2.gz MTQXIJDOWSTIMP-UHFFFAOYSA-N 1 2 305.385 2.859 20 30 DFEDLO C=CCOc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000171926392 198008730 /nfs/dbraw/zinc/00/87/30/198008730.db2.gz PALQJQCMELZDJN-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO CC[C@H]([NH2+]Cc1ncc2c(n1)CCOC2)c1ccc(C#N)cc1 ZINC000593716880 398676158 /nfs/dbraw/zinc/67/61/58/398676158.db2.gz YDNAHZGEKOUTDU-INIZCTEOSA-N 1 2 308.385 2.662 20 30 DFEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173860640 198261238 /nfs/dbraw/zinc/26/12/38/198261238.db2.gz RJJYXJRFVBWVES-GFCCVEGCSA-N 1 2 309.460 2.632 20 30 DFEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173860640 198261239 /nfs/dbraw/zinc/26/12/39/198261239.db2.gz RJJYXJRFVBWVES-GFCCVEGCSA-N 1 2 309.460 2.632 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc2ccccc2n1CC#N ZINC000590875328 398692302 /nfs/dbraw/zinc/69/23/02/398692302.db2.gz ZSYJBZXTCAOATO-ZDUSSCGKSA-N 1 2 321.384 2.872 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOc2ccccc2[C@@H]1C ZINC000590938092 398704598 /nfs/dbraw/zinc/70/45/98/398704598.db2.gz GBNSSISLBDZHKE-HNNXBMFYSA-N 1 2 302.418 2.867 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000590938092 398704604 /nfs/dbraw/zinc/70/46/04/398704604.db2.gz GBNSSISLBDZHKE-HNNXBMFYSA-N 1 2 302.418 2.867 20 30 DFEDLO N#CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)CC1CC1 ZINC000593960347 398708948 /nfs/dbraw/zinc/70/89/48/398708948.db2.gz WFJAKOOEOBCICB-UHFFFAOYSA-N 1 2 314.311 2.543 20 30 DFEDLO N#CCC[N@H+](Cc1ccc(OCC(F)(F)F)nn1)CC1CC1 ZINC000593960347 398708951 /nfs/dbraw/zinc/70/89/51/398708951.db2.gz WFJAKOOEOBCICB-UHFFFAOYSA-N 1 2 314.311 2.543 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000593969598 398710501 /nfs/dbraw/zinc/71/05/01/398710501.db2.gz ATCKWCOZLCPJTM-GFCCVEGCSA-N 1 2 301.350 2.613 20 30 DFEDLO COc1ccc(C)cc1C[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000591010400 398714774 /nfs/dbraw/zinc/71/47/74/398714774.db2.gz IIOINORRDYKQOZ-MRXNPFEDSA-N 1 2 301.434 2.814 20 30 DFEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000591016873 398715524 /nfs/dbraw/zinc/71/55/24/398715524.db2.gz JTRPGPVKGMJPFL-OAHLLOKOSA-N 1 2 310.438 2.749 20 30 DFEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000591016873 398715528 /nfs/dbraw/zinc/71/55/28/398715528.db2.gz JTRPGPVKGMJPFL-OAHLLOKOSA-N 1 2 310.438 2.749 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000594015236 398722331 /nfs/dbraw/zinc/72/23/31/398722331.db2.gz YTINMUVKDVYIDQ-IBGZPJMESA-N 1 2 319.408 2.779 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC000594015236 398722335 /nfs/dbraw/zinc/72/23/35/398722335.db2.gz YTINMUVKDVYIDQ-IBGZPJMESA-N 1 2 319.408 2.779 20 30 DFEDLO Cn1c2ccc(CNC(=O)CC3(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000591080529 398723766 /nfs/dbraw/zinc/72/37/66/398723766.db2.gz QBENHCQJHICTIX-UHFFFAOYSA-N 1 2 308.385 2.761 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940323 398724463 /nfs/dbraw/zinc/72/44/63/398724463.db2.gz IMYFHCZXWCJMEA-UHFFFAOYSA-N 1 2 320.396 2.792 20 30 DFEDLO CCc1ccc([C@H](C#N)N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000594029488 398725538 /nfs/dbraw/zinc/72/55/38/398725538.db2.gz XCHWSIRAOSDGBG-KRWDZBQOSA-N 1 2 310.401 2.949 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281548245 334980493 /nfs/dbraw/zinc/98/04/93/334980493.db2.gz ZUHHDALYGOUCOJ-CQSZACIVSA-N 1 2 322.478 2.633 20 30 DFEDLO N#Cc1ccc2c(c1)CN(Cc1[nH+]ccn1CC(F)(F)F)C2 ZINC000594028104 398726056 /nfs/dbraw/zinc/72/60/56/398726056.db2.gz DXGXHBWYJHLSNU-UHFFFAOYSA-N 1 2 306.291 2.833 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594040498 398728034 /nfs/dbraw/zinc/72/80/34/398728034.db2.gz GDCWIORNLCLSNL-ZIAGYGMSSA-N 1 2 310.401 2.831 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000131315611 283079948 /nfs/dbraw/zinc/07/99/48/283079948.db2.gz ZCGRYXCCKCFCAG-VOTSOKGWSA-N 1 2 308.385 2.740 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCC1CC(F)(F)C1 ZINC000591168220 398735916 /nfs/dbraw/zinc/73/59/16/398735916.db2.gz ZZQTZTGCVKQECP-UHFFFAOYSA-N 1 2 306.320 2.587 20 30 DFEDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000073615512 191332040 /nfs/dbraw/zinc/33/20/40/191332040.db2.gz CUUPJCDCLZEQAP-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000073615512 191332041 /nfs/dbraw/zinc/33/20/41/191332041.db2.gz CUUPJCDCLZEQAP-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC[C@H](C#N)N(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000594088270 398741081 /nfs/dbraw/zinc/74/10/81/398741081.db2.gz LUIPCPAYRAYQEK-HZPDHXFCSA-N 1 2 317.458 2.537 20 30 DFEDLO Cc1occc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000591257487 398742947 /nfs/dbraw/zinc/74/29/47/398742947.db2.gz KXJSAKCXHXNACI-UHFFFAOYSA-N 1 2 312.373 2.647 20 30 DFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1C#N ZINC000286499583 291067843 /nfs/dbraw/zinc/06/78/43/291067843.db2.gz YCESYILNIQCWDA-GXTWGEPZSA-N 1 2 305.809 2.511 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC000591316046 398748226 /nfs/dbraw/zinc/74/82/26/398748226.db2.gz UPHHOELBDQWQKD-KRWDZBQOSA-N 1 2 308.385 2.729 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H](C2CCCC2)C1 ZINC000591462459 398764496 /nfs/dbraw/zinc/76/44/96/398764496.db2.gz KNAKDJLYATTYOF-CQSZACIVSA-N 1 2 310.405 2.756 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000594277794 398778345 /nfs/dbraw/zinc/77/83/45/398778345.db2.gz NLZVBYJNOFLVDP-RHSMWYFYSA-N 1 2 322.412 2.866 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000594354782 398786507 /nfs/dbraw/zinc/78/65/07/398786507.db2.gz OEELSFQVFDWJTB-OAHLLOKOSA-N 1 2 305.809 2.897 20 30 DFEDLO Cc1cccn2cc(CC(=O)NCC3(C#N)CCCCC3)[nH+]c12 ZINC000598309316 398788928 /nfs/dbraw/zinc/78/89/28/398788928.db2.gz ZBZJMQOHCJVHRE-UHFFFAOYSA-N 1 2 310.401 2.776 20 30 DFEDLO N#Cc1c2c(cnc1NC1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000591817867 398791399 /nfs/dbraw/zinc/79/13/99/398791399.db2.gz JSBCOJGOSWBBJS-UHFFFAOYSA-N 1 2 319.412 2.918 20 30 DFEDLO CCOC(=O)CC[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591822310 398791708 /nfs/dbraw/zinc/79/17/08/398791708.db2.gz XJTZIFNFOIOCGJ-AWEZNQCLSA-N 1 2 301.390 2.821 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC2)cc1 ZINC000594402160 398792874 /nfs/dbraw/zinc/79/28/74/398792874.db2.gz DATZXIMAIGMSNN-HNNXBMFYSA-N 1 2 320.396 2.513 20 30 DFEDLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H](C)C#N ZINC000598350339 398797690 /nfs/dbraw/zinc/79/76/90/398797690.db2.gz OFVBKRHFVNTSQA-CYBMUJFWSA-N 1 2 316.430 2.637 20 30 DFEDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000594512585 398813301 /nfs/dbraw/zinc/81/33/01/398813301.db2.gz WQQKTFJZJDIEAT-MRXNPFEDSA-N 1 2 324.432 2.857 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2cc(C#N)oc2C)c[nH+]1 ZINC000280534804 215698209 /nfs/dbraw/zinc/69/82/09/215698209.db2.gz HGXDVFLODSLUDR-UHFFFAOYSA-N 1 2 312.373 2.631 20 30 DFEDLO N#Cc1c(-n2cccn2)cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594548909 398819476 /nfs/dbraw/zinc/81/94/76/398819476.db2.gz XVAAXYRUIPWVCO-HNNXBMFYSA-N 1 2 318.384 2.782 20 30 DFEDLO Cc1nc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000594592310 398825784 /nfs/dbraw/zinc/82/57/84/398825784.db2.gz PTKQTDSSYDPHCG-UTUOFQBUSA-N 1 2 322.840 2.825 20 30 DFEDLO Cc1nc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000594592310 398825786 /nfs/dbraw/zinc/82/57/86/398825786.db2.gz PTKQTDSSYDPHCG-UTUOFQBUSA-N 1 2 322.840 2.825 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213821 398836192 /nfs/dbraw/zinc/83/61/92/398836192.db2.gz XNJAKFAPXYOIMJ-CQSZACIVSA-N 1 2 323.234 2.888 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213821 398836195 /nfs/dbraw/zinc/83/61/95/398836195.db2.gz XNJAKFAPXYOIMJ-CQSZACIVSA-N 1 2 323.234 2.888 20 30 DFEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CC2(CC#N)CC2)nn1 ZINC000594652630 398837756 /nfs/dbraw/zinc/83/77/56/398837756.db2.gz UXWYMIDVGLDLKW-UHFFFAOYSA-N 1 2 306.373 2.678 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C#N)cc1 ZINC000076077413 398837847 /nfs/dbraw/zinc/83/78/47/398837847.db2.gz HPVMVFLYBHUBDE-BBRMVZONSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598604357 398839906 /nfs/dbraw/zinc/83/99/06/398839906.db2.gz LTKFJGABPGJWLR-GOEBONIOSA-N 1 2 321.490 2.727 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076095021 398839913 /nfs/dbraw/zinc/83/99/13/398839913.db2.gz QZKRXCLCPMVLRN-UHFFFAOYSA-N 1 2 304.316 2.553 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153108 398843777 /nfs/dbraw/zinc/84/37/77/398843777.db2.gz DOQQKFQMNSXKII-OALUTQOASA-N 1 2 323.440 2.959 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153108 398843779 /nfs/dbraw/zinc/84/37/79/398843779.db2.gz DOQQKFQMNSXKII-OALUTQOASA-N 1 2 323.440 2.959 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594708690 398846251 /nfs/dbraw/zinc/84/62/51/398846251.db2.gz BQMPCKXLACHYLL-WCQYABFASA-N 1 2 303.328 2.910 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598650918 398848328 /nfs/dbraw/zinc/84/83/28/398848328.db2.gz SPFSNWVYCIBMTK-SWLSCSKDSA-N 1 2 315.408 2.798 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180302037 199143011 /nfs/dbraw/zinc/14/30/11/199143011.db2.gz FZDSROYXPIERQB-QLFBSQMISA-N 1 2 322.474 2.760 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180302037 199143012 /nfs/dbraw/zinc/14/30/12/199143012.db2.gz FZDSROYXPIERQB-QLFBSQMISA-N 1 2 322.474 2.760 20 30 DFEDLO N#CCCCOc1ccc[nH+]c1NCc1ccnn1CC1CC1 ZINC000594735021 398852040 /nfs/dbraw/zinc/85/20/40/398852040.db2.gz HXVNYKBEAUAYTK-UHFFFAOYSA-N 1 2 311.389 2.983 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000053144131 398863335 /nfs/dbraw/zinc/86/33/35/398863335.db2.gz VVDTZEZSQXYUEG-GFCCVEGCSA-N 1 2 320.462 2.615 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000053144131 398863336 /nfs/dbraw/zinc/86/33/36/398863336.db2.gz VVDTZEZSQXYUEG-GFCCVEGCSA-N 1 2 320.462 2.615 20 30 DFEDLO COC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(OC)c1 ZINC000594969159 398884214 /nfs/dbraw/zinc/88/42/14/398884214.db2.gz NKQYVHLWCMQSFA-AWEZNQCLSA-N 1 2 303.387 2.501 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000180899034 199226056 /nfs/dbraw/zinc/22/60/56/199226056.db2.gz VLGVBRBTVMQSCE-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cn1 ZINC000180899034 199226058 /nfs/dbraw/zinc/22/60/58/199226058.db2.gz VLGVBRBTVMQSCE-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO C=C(C)COc1cccc(NC2CC[NH+](CC(=O)OC)CC2)c1 ZINC000181148349 199257527 /nfs/dbraw/zinc/25/75/27/199257527.db2.gz BCNQWLACJFEYIZ-UHFFFAOYSA-N 1 2 318.417 2.691 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276361749 212829760 /nfs/dbraw/zinc/82/97/60/212829760.db2.gz RXDHDCPYXHUMRZ-HOCLYGCPSA-N 1 2 303.406 2.525 20 30 DFEDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186784298 200010356 /nfs/dbraw/zinc/01/03/56/200010356.db2.gz AQMRIHHTGFVVTL-ZDUSSCGKSA-N 1 2 305.809 2.560 20 30 DFEDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186784298 200010357 /nfs/dbraw/zinc/01/03/57/200010357.db2.gz AQMRIHHTGFVVTL-ZDUSSCGKSA-N 1 2 305.809 2.560 20 30 DFEDLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187313873 200094043 /nfs/dbraw/zinc/09/40/43/200094043.db2.gz LDMBQAITNBNEOQ-INIZCTEOSA-N 1 2 308.809 2.839 20 30 DFEDLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187313873 200094044 /nfs/dbraw/zinc/09/40/44/200094044.db2.gz LDMBQAITNBNEOQ-INIZCTEOSA-N 1 2 308.809 2.839 20 30 DFEDLO N#Cc1ccc(CCN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000595285011 398915866 /nfs/dbraw/zinc/91/58/66/398915866.db2.gz IWGKVHOVCVMBQJ-UHFFFAOYSA-N 1 2 311.454 2.980 20 30 DFEDLO CCc1nnc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000595299515 398918936 /nfs/dbraw/zinc/91/89/36/398918936.db2.gz SSZYRRVYYKRSKO-AWEZNQCLSA-N 1 2 324.432 2.512 20 30 DFEDLO CCc1nnc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000595299515 398918941 /nfs/dbraw/zinc/91/89/41/398918941.db2.gz SSZYRRVYYKRSKO-AWEZNQCLSA-N 1 2 324.432 2.512 20 30 DFEDLO C=CCCOCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000150027321 398919508 /nfs/dbraw/zinc/91/95/08/398919508.db2.gz ZLGQYLCSJCFTBT-UHFFFAOYSA-N 1 2 317.433 2.671 20 30 DFEDLO CC(C)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000595335015 398923378 /nfs/dbraw/zinc/92/33/78/398923378.db2.gz UMFWZQFONYPFBY-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO CC(C)c1cccc(C[N@H+](CCC#N)CCN2CCOCC2)c1 ZINC000595335015 398923382 /nfs/dbraw/zinc/92/33/82/398923382.db2.gz UMFWZQFONYPFBY-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO CC(C)c1cccc(C[N@@H+](CCC#N)CCN2CCOCC2)c1 ZINC000595335015 398923384 /nfs/dbraw/zinc/92/33/84/398923384.db2.gz UMFWZQFONYPFBY-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cccc(C#N)c3)cn2c1 ZINC000055340267 398927838 /nfs/dbraw/zinc/92/78/38/398927838.db2.gz KSZPDCDKGBGDBD-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO CN(C(=O)CCCn1cc[nH+]c1)c1cc(Cl)ccc1C#N ZINC000156906391 398952251 /nfs/dbraw/zinc/95/22/51/398952251.db2.gz IHSGDCLZKHCDOL-UHFFFAOYSA-N 1 2 302.765 2.851 20 30 DFEDLO C=CCn1c(SCc2[nH+]ccn2C)nc2ccccc2c1=O ZINC000078384641 398954307 /nfs/dbraw/zinc/95/43/07/398954307.db2.gz GYXGOYWPSWKFSY-UHFFFAOYSA-N 1 2 312.398 2.608 20 30 DFEDLO Cc1nnc(NCc2[nH+]ccn2Cc2ccccc2)c(C#N)c1C ZINC000078498917 398961791 /nfs/dbraw/zinc/96/17/91/398961791.db2.gz LCWUTKASDHLBLC-UHFFFAOYSA-N 1 2 318.384 2.822 20 30 DFEDLO COc1cccc(C[NH+]2CCN(CCC#N)CC2)c1OC(C)C ZINC000078527557 398964138 /nfs/dbraw/zinc/96/41/38/398964138.db2.gz LTOFRYSEADHXIZ-UHFFFAOYSA-N 1 2 317.433 2.514 20 30 DFEDLO N#CC1(CN2CC[N@H+](CC3(C#N)CC3)Cc3cc(O)ccc32)CC1 ZINC000595585111 398984482 /nfs/dbraw/zinc/98/44/82/398984482.db2.gz PWWOCSLQJHAISX-UHFFFAOYSA-N 1 2 322.412 2.622 20 30 DFEDLO N#CC1(CN2CC[N@@H+](CC3(C#N)CC3)Cc3cc(O)ccc32)CC1 ZINC000595585111 398984491 /nfs/dbraw/zinc/98/44/91/398984491.db2.gz PWWOCSLQJHAISX-UHFFFAOYSA-N 1 2 322.412 2.622 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611572 398999326 /nfs/dbraw/zinc/99/93/26/398999326.db2.gz LIYBYUFQPKCLLO-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611572 398999329 /nfs/dbraw/zinc/99/93/29/398999329.db2.gz LIYBYUFQPKCLLO-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614889 399000611 /nfs/dbraw/zinc/00/06/11/399000611.db2.gz JAVTWJJEFUKUIG-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614889 399000613 /nfs/dbraw/zinc/00/06/13/399000613.db2.gz JAVTWJJEFUKUIG-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000600213561 399008831 /nfs/dbraw/zinc/00/88/31/399008831.db2.gz WLGJVENBRUXYCA-UHFFFAOYSA-N 1 2 304.397 2.978 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000600213561 399008838 /nfs/dbraw/zinc/00/88/38/399008838.db2.gz WLGJVENBRUXYCA-UHFFFAOYSA-N 1 2 304.397 2.978 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000599550041 399012137 /nfs/dbraw/zinc/01/21/37/399012137.db2.gz VSPFSFYWDJWTGA-NEPJUHHUSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000599550041 399012141 /nfs/dbraw/zinc/01/21/41/399012141.db2.gz VSPFSFYWDJWTGA-NEPJUHHUSA-N 1 2 302.349 2.663 20 30 DFEDLO N#Cc1sccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000595631659 399012154 /nfs/dbraw/zinc/01/21/54/399012154.db2.gz HGCZFVSWQQOVIX-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000595635893 399013395 /nfs/dbraw/zinc/01/33/95/399013395.db2.gz OLKKFWCOSMJLKT-UHFFFAOYSA-N 1 2 314.414 2.998 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000595696980 399041065 /nfs/dbraw/zinc/04/10/65/399041065.db2.gz CMOVKKZSLABXSD-TUKIKUTGSA-N 1 2 319.355 2.742 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000595696969 399040955 /nfs/dbraw/zinc/04/09/55/399040955.db2.gz CKNLRTSKXRAYCJ-BXUZGUMPSA-N 1 2 323.343 2.898 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000595700299 399042738 /nfs/dbraw/zinc/04/27/38/399042738.db2.gz YTSARDXFWWUCDF-VXGBXAGGSA-N 1 2 323.343 2.898 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C#N)on1 ZINC000595704263 399046289 /nfs/dbraw/zinc/04/62/89/399046289.db2.gz RJISXGKJYWAMOT-NEPJUHHUSA-N 1 2 304.394 2.583 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000595702412 399044595 /nfs/dbraw/zinc/04/45/95/399044595.db2.gz KAYCKDHWEQWVAP-XKQJLSEDSA-N 1 2 315.392 2.817 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000595702492 399045994 /nfs/dbraw/zinc/04/59/94/399045994.db2.gz KLNABEDEEIIYHT-NWDGAFQWSA-N 1 2 318.446 2.632 20 30 DFEDLO CC(C)(C)n1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599678179 399058481 /nfs/dbraw/zinc/05/84/81/399058481.db2.gz PGWHSBWHOMQHAB-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO CC(C)(C)n1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599678179 399058489 /nfs/dbraw/zinc/05/84/89/399058489.db2.gz PGWHSBWHOMQHAB-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO Cn1c2ccccc2[nH+]c1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000057741569 399060019 /nfs/dbraw/zinc/06/00/19/399060019.db2.gz GQWFBCOVJPIDDA-UHFFFAOYSA-N 1 2 314.348 2.808 20 30 DFEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000282709971 334997850 /nfs/dbraw/zinc/99/78/50/334997850.db2.gz AMOWQRGMVYLAFW-LLVKDONJSA-N 1 2 305.407 2.591 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2=CCCOC2)c1C#N ZINC000595748166 399068718 /nfs/dbraw/zinc/06/87/18/399068718.db2.gz XLODRAPJRSYGTI-UHFFFAOYSA-N 1 2 322.412 2.831 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2=CCCOC2)c1C#N ZINC000595748166 399068722 /nfs/dbraw/zinc/06/87/22/399068722.db2.gz XLODRAPJRSYGTI-UHFFFAOYSA-N 1 2 322.412 2.831 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755369 399069717 /nfs/dbraw/zinc/06/97/17/399069717.db2.gz MBHKXQBHODMNTB-CJNGLKHVSA-N 1 2 304.365 2.844 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755369 399069727 /nfs/dbraw/zinc/06/97/27/399069727.db2.gz MBHKXQBHODMNTB-CJNGLKHVSA-N 1 2 304.365 2.844 20 30 DFEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCOCCC#N ZINC000595757819 399071799 /nfs/dbraw/zinc/07/17/99/399071799.db2.gz GCZOZPVITXIGHD-INIZCTEOSA-N 1 2 306.381 2.908 20 30 DFEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCOCCC#N ZINC000595757819 399071805 /nfs/dbraw/zinc/07/18/05/399071805.db2.gz GCZOZPVITXIGHD-INIZCTEOSA-N 1 2 306.381 2.908 20 30 DFEDLO C=CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000275210396 212198432 /nfs/dbraw/zinc/19/84/32/212198432.db2.gz HRPKHCNLGLZJEX-AWEZNQCLSA-N 1 2 318.808 2.990 20 30 DFEDLO Cc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)c(C#N)c(C)[nH+]1 ZINC000301645071 229796328 /nfs/dbraw/zinc/79/63/28/229796328.db2.gz CLSTYDUWZVMYSR-LBPRGKRZSA-N 1 2 312.339 2.866 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834561 399105449 /nfs/dbraw/zinc/10/54/49/399105449.db2.gz MMVNOLNRSMFVSS-QGZVFWFLSA-N 1 2 317.458 2.602 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834561 399105454 /nfs/dbraw/zinc/10/54/54/399105454.db2.gz MMVNOLNRSMFVSS-QGZVFWFLSA-N 1 2 317.458 2.602 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841976 399109064 /nfs/dbraw/zinc/10/90/64/399109064.db2.gz PQUNPJCKRUERQC-QBIMZIAESA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841976 399109066 /nfs/dbraw/zinc/10/90/66/399109066.db2.gz PQUNPJCKRUERQC-QBIMZIAESA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841486 399109582 /nfs/dbraw/zinc/10/95/82/399109582.db2.gz VGHJHWQWMREGRE-FYRJDAGRSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841486 399109585 /nfs/dbraw/zinc/10/95/85/399109585.db2.gz VGHJHWQWMREGRE-FYRJDAGRSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1[nH+]ccn1C ZINC000595844145 399111336 /nfs/dbraw/zinc/11/13/36/399111336.db2.gz APCQTHMQQNAZOE-BLLLJJGKSA-N 1 2 323.400 2.730 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NCc3ccc(C#N)cc3)[nH+]c2c1 ZINC000080103222 399117312 /nfs/dbraw/zinc/11/73/12/399117312.db2.gz FVMUYKJKYRZOKF-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887646 399124500 /nfs/dbraw/zinc/12/45/00/399124500.db2.gz ANSGZEHWVXQOLS-CYBMUJFWSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887646 399124504 /nfs/dbraw/zinc/12/45/04/399124504.db2.gz ANSGZEHWVXQOLS-CYBMUJFWSA-N 1 2 314.307 2.590 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916012 399134598 /nfs/dbraw/zinc/13/45/98/399134598.db2.gz KJFPMNMJNUKSOE-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916012 399134604 /nfs/dbraw/zinc/13/46/04/399134604.db2.gz KJFPMNMJNUKSOE-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)F)O1 ZINC000595916827 399134962 /nfs/dbraw/zinc/13/49/62/399134962.db2.gz LTVRMKVAWNFOIE-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)F)O1 ZINC000595916827 399134965 /nfs/dbraw/zinc/13/49/65/399134965.db2.gz LTVRMKVAWNFOIE-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000596069572 399162338 /nfs/dbraw/zinc/16/23/38/399162338.db2.gz MPDCSYPXHGWWNE-CYBMUJFWSA-N 1 2 312.360 2.569 20 30 DFEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000061760832 399163168 /nfs/dbraw/zinc/16/31/68/399163168.db2.gz OSUMUIIWBUBJKS-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000061760832 399163170 /nfs/dbraw/zinc/16/31/70/399163170.db2.gz OSUMUIIWBUBJKS-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000618577375 399167115 /nfs/dbraw/zinc/16/71/15/399167115.db2.gz BJYLCROJBNLNBG-CJNGLKHVSA-N 1 2 313.380 2.637 20 30 DFEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)C1CCCCC1 ZINC000062499226 399171761 /nfs/dbraw/zinc/17/17/61/399171761.db2.gz BLUOSYBNVGGKFR-UHFFFAOYSA-N 1 2 302.422 2.641 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000618593899 399175533 /nfs/dbraw/zinc/17/55/33/399175533.db2.gz OPAFPJBSHQCVPR-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000618593899 399175535 /nfs/dbraw/zinc/17/55/35/399175535.db2.gz OPAFPJBSHQCVPR-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600996705 399197725 /nfs/dbraw/zinc/19/77/25/399197725.db2.gz FVKYAIHNXKMGPN-UHFFFAOYSA-N 1 2 322.412 2.935 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000081039816 399207287 /nfs/dbraw/zinc/20/72/87/399207287.db2.gz PZNIEYKRYXTRQY-ZDUSSCGKSA-N 1 2 316.323 2.681 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000081039816 399207289 /nfs/dbraw/zinc/20/72/89/399207289.db2.gz PZNIEYKRYXTRQY-ZDUSSCGKSA-N 1 2 316.323 2.681 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000267017851 205748940 /nfs/dbraw/zinc/74/89/40/205748940.db2.gz JPZHUDMAJAGEJU-VXGBXAGGSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000267017851 205748944 /nfs/dbraw/zinc/74/89/44/205748944.db2.gz JPZHUDMAJAGEJU-VXGBXAGGSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614402024 399225689 /nfs/dbraw/zinc/22/56/89/399225689.db2.gz IFDBWHBHDSPXIL-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614402024 399225694 /nfs/dbraw/zinc/22/56/94/399225694.db2.gz IFDBWHBHDSPXIL-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614401968 399226007 /nfs/dbraw/zinc/22/60/07/399226007.db2.gz FOKGRRVEPUHABD-CYBMUJFWSA-N 1 2 314.389 2.979 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614401968 399226013 /nfs/dbraw/zinc/22/60/13/399226013.db2.gz FOKGRRVEPUHABD-CYBMUJFWSA-N 1 2 314.389 2.979 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000192219577 335023624 /nfs/dbraw/zinc/02/36/24/335023624.db2.gz LZBXCYFKIZGFCQ-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000192219577 335023627 /nfs/dbraw/zinc/02/36/27/335023627.db2.gz LZBXCYFKIZGFCQ-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614403374 399226943 /nfs/dbraw/zinc/22/69/43/399226943.db2.gz VZPXVERTJDVYDU-KRWDZBQOSA-N 1 2 310.401 2.780 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614403374 399226947 /nfs/dbraw/zinc/22/69/47/399226947.db2.gz VZPXVERTJDVYDU-KRWDZBQOSA-N 1 2 310.401 2.780 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064518741 399227284 /nfs/dbraw/zinc/22/72/84/399227284.db2.gz WOKRYGAJJKMUSC-UHFFFAOYSA-N 1 2 302.241 2.564 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000064518741 399227285 /nfs/dbraw/zinc/22/72/85/399227285.db2.gz WOKRYGAJJKMUSC-UHFFFAOYSA-N 1 2 302.241 2.564 20 30 DFEDLO CCC1(C[NH2+][C@@H](C(=O)OC)c2cccc(C#N)c2)CCOCC1 ZINC000267542629 206133789 /nfs/dbraw/zinc/13/37/89/206133789.db2.gz ADLYFMMFKPTTIE-MRXNPFEDSA-N 1 2 316.401 2.569 20 30 DFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000192196978 335027326 /nfs/dbraw/zinc/02/73/26/335027326.db2.gz CGLUTOFFYBPRGC-RDJZCZTQSA-N 1 2 306.356 2.630 20 30 DFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000192196978 335027327 /nfs/dbraw/zinc/02/73/27/335027327.db2.gz CGLUTOFFYBPRGC-RDJZCZTQSA-N 1 2 306.356 2.630 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000614618274 399253449 /nfs/dbraw/zinc/25/34/49/399253449.db2.gz UQPBUNDUQNHNMN-CQSZACIVSA-N 1 2 314.776 2.885 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000614822589 399272294 /nfs/dbraw/zinc/27/22/94/399272294.db2.gz YJHFRMPHYAVICH-QGZVFWFLSA-N 1 2 320.396 2.650 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268003285 206389107 /nfs/dbraw/zinc/38/91/07/206389107.db2.gz XIWFLJGCBOBYCG-LLVKDONJSA-N 1 2 316.311 2.579 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268003288 206389361 /nfs/dbraw/zinc/38/93/61/206389361.db2.gz XIWFLJGCBOBYCG-NSHDSACASA-N 1 2 316.311 2.579 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601432813 399289163 /nfs/dbraw/zinc/28/91/63/399289163.db2.gz ZQBDISILDBVYIU-GOSISDBHSA-N 1 2 308.385 2.567 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)Cc3cccc(C#N)c3)[nH+]c12 ZINC000608783152 399295016 /nfs/dbraw/zinc/29/50/16/399295016.db2.gz JECVSLCFDZRJNF-UHFFFAOYSA-N 1 2 318.380 2.716 20 30 DFEDLO N#CCc1ccccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000601663709 399316767 /nfs/dbraw/zinc/31/67/67/399316767.db2.gz GRUQMYJXSANHMD-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO Cc1c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000609484606 399319719 /nfs/dbraw/zinc/31/97/19/399319719.db2.gz CRPQSNAVNLLZRL-QGZVFWFLSA-N 1 2 316.405 2.569 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609486755 399320333 /nfs/dbraw/zinc/32/03/33/399320333.db2.gz QESJCDZCHUQBOE-YOEHRIQHSA-N 1 2 316.405 2.822 20 30 DFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000601687148 399320889 /nfs/dbraw/zinc/32/08/89/399320889.db2.gz XSBVOLBKKIMYMO-ZWKOTPCHSA-N 1 2 322.412 2.647 20 30 DFEDLO CC(C)n1cc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cn1 ZINC000609586055 399325083 /nfs/dbraw/zinc/32/50/83/399325083.db2.gz WIXBYHWJURZNCU-LBPRGKRZSA-N 1 2 324.392 2.690 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609624321 399327029 /nfs/dbraw/zinc/32/70/29/399327029.db2.gz VLGOXFUXSKVIBM-SFHVURJKSA-N 1 2 320.396 2.545 20 30 DFEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286728429 335039450 /nfs/dbraw/zinc/03/94/50/335039450.db2.gz GQMCRWIREDLINU-QGZVFWFLSA-N 1 2 317.433 2.681 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000609675916 399329702 /nfs/dbraw/zinc/32/97/02/399329702.db2.gz XRAQUVZQWHPYQK-QLJPJBMISA-N 1 2 315.323 2.714 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)C1CC1 ZINC000274164818 211392560 /nfs/dbraw/zinc/39/25/60/211392560.db2.gz MSASQHBAHQGNPW-CQSZACIVSA-N 1 2 302.418 2.593 20 30 DFEDLO C#CC[N@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)C1CC1 ZINC000274164818 211392566 /nfs/dbraw/zinc/39/25/66/211392566.db2.gz MSASQHBAHQGNPW-CQSZACIVSA-N 1 2 302.418 2.593 20 30 DFEDLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000601817682 399342424 /nfs/dbraw/zinc/34/24/24/399342424.db2.gz JYAMQCUFNJPZGE-FUHWJXTLSA-N 1 2 322.412 2.625 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000284657398 218118812 /nfs/dbraw/zinc/11/88/12/218118812.db2.gz DAMXPZGBLXFQBV-KBAYOESNSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000284657398 218118814 /nfs/dbraw/zinc/11/88/14/218118814.db2.gz DAMXPZGBLXFQBV-KBAYOESNSA-N 1 2 318.392 2.713 20 30 DFEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000615559086 399352455 /nfs/dbraw/zinc/35/24/55/399352455.db2.gz VBKGORYQDDOEIS-QGZVFWFLSA-N 1 2 320.477 2.836 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000610391967 399363121 /nfs/dbraw/zinc/36/31/21/399363121.db2.gz PPIUOEVQVOVOGO-UHFFFAOYSA-N 1 2 316.357 2.581 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000610391967 399363123 /nfs/dbraw/zinc/36/31/23/399363123.db2.gz PPIUOEVQVOVOGO-UHFFFAOYSA-N 1 2 316.357 2.581 20 30 DFEDLO N#C[C@@]1(F)CCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000615643501 399367099 /nfs/dbraw/zinc/36/70/99/399367099.db2.gz BQFQFNWHMCGQJT-ZDUSSCGKSA-N 1 2 323.169 2.534 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000619670894 399374617 /nfs/dbraw/zinc/37/46/17/399374617.db2.gz FOJHKZHTABFKDY-UYSNPLJNSA-N 1 2 315.421 2.560 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)s1 ZINC000610522265 399377378 /nfs/dbraw/zinc/37/73/78/399377378.db2.gz WTUWJEBDFRXENG-UHFFFAOYSA-N 1 2 324.409 2.962 20 30 DFEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000619718271 399382188 /nfs/dbraw/zinc/38/21/88/399382188.db2.gz DVXRQYWCSZYCEH-CZUORRHYSA-N 1 2 322.836 2.746 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000619719592 399382224 /nfs/dbraw/zinc/38/22/24/399382224.db2.gz NSHOLKYQXQUFIN-HUUCEWRRSA-N 1 2 305.349 2.591 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000619719592 399382227 /nfs/dbraw/zinc/38/22/27/399382227.db2.gz NSHOLKYQXQUFIN-HUUCEWRRSA-N 1 2 305.349 2.591 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000602013542 399384615 /nfs/dbraw/zinc/38/46/15/399384615.db2.gz PWZBFLOOITUORI-KRWDZBQOSA-N 1 2 315.392 2.721 20 30 DFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285354605 218395535 /nfs/dbraw/zinc/39/55/35/218395535.db2.gz AXNVTNUBSDZQGT-HNNXBMFYSA-N 1 2 319.380 2.750 20 30 DFEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000285354605 218395538 /nfs/dbraw/zinc/39/55/38/218395538.db2.gz AXNVTNUBSDZQGT-HNNXBMFYSA-N 1 2 319.380 2.750 20 30 DFEDLO N#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCCCC1 ZINC000602085641 399392758 /nfs/dbraw/zinc/39/27/58/399392758.db2.gz JHQIBTNAEKCUFV-UHFFFAOYSA-N 1 2 310.357 2.534 20 30 DFEDLO Cc1ccc([C@@H](CNc2ncccc2C#N)[NH+]2CCOCC2)cc1 ZINC000052488403 183861802 /nfs/dbraw/zinc/86/18/02/183861802.db2.gz XGXXMQPNKOIQIF-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000110116031 194311182 /nfs/dbraw/zinc/31/11/82/194311182.db2.gz OSRFWMDGJBLRPR-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000110116031 194311185 /nfs/dbraw/zinc/31/11/85/194311185.db2.gz OSRFWMDGJBLRPR-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000610770939 399404718 /nfs/dbraw/zinc/40/47/18/399404718.db2.gz IDKKKVYNKDMVIX-ZDUSSCGKSA-N 1 2 319.368 2.766 20 30 DFEDLO N#CCCC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000602317355 399423638 /nfs/dbraw/zinc/42/36/38/399423638.db2.gz GKLLNRMPSBPMSU-WBVHZDCISA-N 1 2 323.400 2.542 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000602334417 399426476 /nfs/dbraw/zinc/42/64/76/399426476.db2.gz RNFPOYVJDZSIFP-GLKRBJQHSA-N 1 2 323.799 2.543 20 30 DFEDLO CC[C@@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)OC ZINC000602429895 399441727 /nfs/dbraw/zinc/44/17/27/399441727.db2.gz ZODPPJIQVXQDOG-ROUUACIJSA-N 1 2 301.434 2.511 20 30 DFEDLO CC[C@@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)OC ZINC000602429895 399441729 /nfs/dbraw/zinc/44/17/29/399441729.db2.gz ZODPPJIQVXQDOG-ROUUACIJSA-N 1 2 301.434 2.511 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179608 399442212 /nfs/dbraw/zinc/44/22/12/399442212.db2.gz GFNXMHKTUYJRFA-JTQLQIEISA-N 1 2 313.735 2.737 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179608 399442214 /nfs/dbraw/zinc/44/22/14/399442214.db2.gz GFNXMHKTUYJRFA-JTQLQIEISA-N 1 2 313.735 2.737 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000061891884 184192950 /nfs/dbraw/zinc/19/29/50/184192950.db2.gz LWLFYBTYPZZHGR-JOYOIKCWSA-N 1 2 323.190 2.960 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443985 399446261 /nfs/dbraw/zinc/44/62/61/399446261.db2.gz HWHZJYBZTKFYIL-SFHVURJKSA-N 1 2 324.428 2.891 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443985 399446263 /nfs/dbraw/zinc/44/62/63/399446263.db2.gz HWHZJYBZTKFYIL-SFHVURJKSA-N 1 2 324.428 2.891 20 30 DFEDLO Cc1ccoc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260391 399453098 /nfs/dbraw/zinc/45/30/98/399453098.db2.gz WMCRYRBRLWPZEH-UHFFFAOYSA-N 1 2 312.373 2.647 20 30 DFEDLO Cc1ccncc1[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000611299266 399459501 /nfs/dbraw/zinc/45/95/01/399459501.db2.gz ZIMGQWDJHTVBTI-GFCCVEGCSA-N 1 2 307.361 2.617 20 30 DFEDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611387298 399468656 /nfs/dbraw/zinc/46/86/56/399468656.db2.gz JRQMWLPDHCCTTN-NEPJUHHUSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc(C#N)c1 ZINC000611388552 399468938 /nfs/dbraw/zinc/46/89/38/399468938.db2.gz PQIRZVMMHFCEIY-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1nnc2n1CCCCC2 ZINC000602526358 399468080 /nfs/dbraw/zinc/46/80/80/399468080.db2.gz JWMQDUQYLHJALF-HNNXBMFYSA-N 1 2 310.405 2.512 20 30 DFEDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611387299 399468550 /nfs/dbraw/zinc/46/85/50/399468550.db2.gz JRQMWLPDHCCTTN-NWDGAFQWSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C#N)c1 ZINC000611514714 399485542 /nfs/dbraw/zinc/48/55/42/399485542.db2.gz RKVCJDNXTXMISF-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602636163 399498285 /nfs/dbraw/zinc/49/82/85/399498285.db2.gz HEQPDHXJQFNHSH-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602636163 399498287 /nfs/dbraw/zinc/49/82/87/399498287.db2.gz HEQPDHXJQFNHSH-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO C=CCOC[C@@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OC ZINC000602645832 399500623 /nfs/dbraw/zinc/50/06/23/399500623.db2.gz TZBBEYSZYKDRFQ-JFIYKMOQSA-N 1 2 303.402 2.514 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119659904 195012558 /nfs/dbraw/zinc/01/25/58/195012558.db2.gz YQWAYDOZPQUSLB-SJORKVTESA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119659904 195012561 /nfs/dbraw/zinc/01/25/61/195012561.db2.gz YQWAYDOZPQUSLB-SJORKVTESA-N 1 2 316.401 2.519 20 30 DFEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)C(=O)OC ZINC000602733411 399546782 /nfs/dbraw/zinc/54/67/82/399546782.db2.gz IAOKCMDNOOIUNZ-AWEZNQCLSA-N 1 2 319.430 2.746 20 30 DFEDLO C=C(C)C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)OC ZINC000602734435 399547517 /nfs/dbraw/zinc/54/75/17/399547517.db2.gz OFAMIVHQUQPRMC-QGZVFWFLSA-N 1 2 302.418 2.753 20 30 DFEDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(C#N)cc2)CC3)C1 ZINC000602739989 399550261 /nfs/dbraw/zinc/55/02/61/399550261.db2.gz PCZFHHLZGKMOMY-UHFFFAOYSA-N 1 2 307.401 2.679 20 30 DFEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(C#N)cc2)CC3)C1 ZINC000602739989 399550265 /nfs/dbraw/zinc/55/02/65/399550265.db2.gz PCZFHHLZGKMOMY-UHFFFAOYSA-N 1 2 307.401 2.679 20 30 DFEDLO N#Cc1c(N2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccn21 ZINC000272917623 210304487 /nfs/dbraw/zinc/30/44/87/210304487.db2.gz PMWHBOZXXQDZAB-CQSZACIVSA-N 1 2 318.384 2.539 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602779043 399568097 /nfs/dbraw/zinc/56/80/97/399568097.db2.gz OCRLPSFCSVREEI-ZDUSSCGKSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602779043 399568099 /nfs/dbraw/zinc/56/80/99/399568099.db2.gz OCRLPSFCSVREEI-ZDUSSCGKSA-N 1 2 317.216 2.969 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)s1 ZINC000157760274 197213640 /nfs/dbraw/zinc/21/36/40/197213640.db2.gz ZEQBFDJTADBBHO-UHFFFAOYSA-N 1 2 305.447 2.754 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cscn1 ZINC000157642467 197205012 /nfs/dbraw/zinc/20/50/12/197205012.db2.gz CMUYEICYMMGUOR-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cscn1 ZINC000157642467 197205013 /nfs/dbraw/zinc/20/50/13/197205013.db2.gz CMUYEICYMMGUOR-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162526 399595217 /nfs/dbraw/zinc/59/52/17/399595217.db2.gz OHHZLVIGTOLMAH-KDOFPFPSSA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162526 399595225 /nfs/dbraw/zinc/59/52/25/399595225.db2.gz OHHZLVIGTOLMAH-KDOFPFPSSA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000612166192 399597316 /nfs/dbraw/zinc/59/73/16/399597316.db2.gz BVFTUOYGCRFUBN-XJKSGUPXSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000612166192 399597322 /nfs/dbraw/zinc/59/73/22/399597322.db2.gz BVFTUOYGCRFUBN-XJKSGUPXSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602848262 399600635 /nfs/dbraw/zinc/60/06/35/399600635.db2.gz GLMYJCFVCZBGLM-GJZGRUSLSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[NH+](Cc2coc(-c3cccs3)n2)C[C@@H](C)N1CC#N ZINC000602856142 399605007 /nfs/dbraw/zinc/60/50/07/399605007.db2.gz JBKAUXARZPQQOZ-CHWSQXEVSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000602860134 399606322 /nfs/dbraw/zinc/60/63/22/399606322.db2.gz BMSRPWAALVUASJ-GHMZBOCLSA-N 1 2 311.788 2.718 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c(Br)c1 ZINC000602865352 399607702 /nfs/dbraw/zinc/60/77/02/399607702.db2.gz XNRJOCJCQXXGOV-MNOVXSKESA-N 1 2 324.222 2.976 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602869439 399610074 /nfs/dbraw/zinc/61/00/74/399610074.db2.gz NXKNSUGJAIULOT-NSHDSACASA-N 1 2 316.430 2.719 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000052034580 542445911 /nfs/dbraw/zinc/44/59/11/542445911.db2.gz HJQIAECTVGKPGI-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO Cc1cc(NCCCc2[nH]nc(N)c2C#N)c2cccc(F)c2[nH+]1 ZINC000120389067 195157080 /nfs/dbraw/zinc/15/70/80/195157080.db2.gz UKYDQWBNCNUEOG-UHFFFAOYSA-N 1 2 324.363 2.904 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cn[nH]c3)o2)c1 ZINC000602883119 399614974 /nfs/dbraw/zinc/61/49/74/399614974.db2.gz WLHMKIXQXNGLLD-OAHLLOKOSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cn[nH]c3)o2)c1 ZINC000602883119 399614977 /nfs/dbraw/zinc/61/49/77/399614977.db2.gz WLHMKIXQXNGLLD-OAHLLOKOSA-N 1 2 320.356 2.668 20 30 DFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000120598425 195198733 /nfs/dbraw/zinc/19/87/33/195198733.db2.gz NUUHNNDQGANTER-UHFFFAOYSA-N 1 2 323.396 2.595 20 30 DFEDLO CC(C)(C)n1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nn1 ZINC000602907205 399622339 /nfs/dbraw/zinc/62/23/39/399622339.db2.gz PVNZUNJAEJVKIK-UHFFFAOYSA-N 1 2 324.432 2.679 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(C4CC4)no3)CC2)nc1 ZINC000602913978 399624740 /nfs/dbraw/zinc/62/47/40/399624740.db2.gz WRPALSIDIQIUFE-UHFFFAOYSA-N 1 2 309.373 2.593 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C(C)(C)C ZINC000288547100 335056384 /nfs/dbraw/zinc/05/63/84/335056384.db2.gz IPBKDHPGSQFUHG-OAHLLOKOSA-N 1 2 314.433 2.529 20 30 DFEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000602943107 399634866 /nfs/dbraw/zinc/63/48/66/399634866.db2.gz OPLVNDHWQGMKNR-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000602943107 399634870 /nfs/dbraw/zinc/63/48/70/399634870.db2.gz OPLVNDHWQGMKNR-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO COCCOc1ccc(C#N)cc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000296597780 533223494 /nfs/dbraw/zinc/22/34/94/533223494.db2.gz XHZUQJQJIIUJKV-SWLSCSKDSA-N 1 2 312.373 2.898 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603021996 399659665 /nfs/dbraw/zinc/65/96/65/399659665.db2.gz LZGHXIJTVTUERA-NUTKFTJISA-N 1 2 323.387 2.869 20 30 DFEDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@@H]1C#N ZINC000602973883 399643597 /nfs/dbraw/zinc/64/35/97/399643597.db2.gz HCQPHNKRRYRPCB-HZMVEIRTSA-N 1 2 303.450 2.792 20 30 DFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@@H]1C#N ZINC000602973883 399643601 /nfs/dbraw/zinc/64/36/01/399643601.db2.gz HCQPHNKRRYRPCB-HZMVEIRTSA-N 1 2 303.450 2.792 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973759 399643790 /nfs/dbraw/zinc/64/37/90/399643790.db2.gz FDYPYONCWUTZIU-NVXWUHKLSA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973759 399643793 /nfs/dbraw/zinc/64/37/93/399643793.db2.gz FDYPYONCWUTZIU-NVXWUHKLSA-N 1 2 317.408 2.798 20 30 DFEDLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973963 399643877 /nfs/dbraw/zinc/64/38/77/399643877.db2.gz ICZOMPRUMJFZGU-GDBMZVCRSA-N 1 2 319.836 2.623 20 30 DFEDLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973963 399643883 /nfs/dbraw/zinc/64/38/83/399643883.db2.gz ICZOMPRUMJFZGU-GDBMZVCRSA-N 1 2 319.836 2.623 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977269 399645676 /nfs/dbraw/zinc/64/56/76/399645676.db2.gz ZYEOFGRUQHGGEK-KMFMINBZSA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977269 399645685 /nfs/dbraw/zinc/64/56/85/399645685.db2.gz ZYEOFGRUQHGGEK-KMFMINBZSA-N 1 2 317.408 2.969 20 30 DFEDLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979320 399646666 /nfs/dbraw/zinc/64/66/66/399646666.db2.gz BWRIKGTWZLPVOU-ZIFCJYIRSA-N 1 2 311.429 2.878 20 30 DFEDLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979320 399646670 /nfs/dbraw/zinc/64/66/70/399646670.db2.gz BWRIKGTWZLPVOU-ZIFCJYIRSA-N 1 2 311.429 2.878 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978610 399646894 /nfs/dbraw/zinc/64/68/94/399646894.db2.gz SZUJNUYVSQUYMG-SZMVWBNQSA-N 1 2 313.445 2.666 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978610 399646898 /nfs/dbraw/zinc/64/68/98/399646898.db2.gz SZUJNUYVSQUYMG-SZMVWBNQSA-N 1 2 313.445 2.666 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000602977910 399647260 /nfs/dbraw/zinc/64/72/60/399647260.db2.gz ISLZLFAGEMAVIE-SWLSCSKDSA-N 1 2 305.447 2.551 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000602977910 399647265 /nfs/dbraw/zinc/64/72/65/399647265.db2.gz ISLZLFAGEMAVIE-SWLSCSKDSA-N 1 2 305.447 2.551 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602980258 399647860 /nfs/dbraw/zinc/64/78/60/399647860.db2.gz OARLOTBKMIOIBO-DOTOQJQBSA-N 1 2 320.458 2.783 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602980258 399647867 /nfs/dbraw/zinc/64/78/67/399647867.db2.gz OARLOTBKMIOIBO-DOTOQJQBSA-N 1 2 320.458 2.783 20 30 DFEDLO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCC[C@H]1C#N ZINC000602981287 399648521 /nfs/dbraw/zinc/64/85/21/399648521.db2.gz AWJLTRAKYUEIDR-HOCLYGCPSA-N 1 2 308.385 2.973 20 30 DFEDLO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCC[C@H]1C#N ZINC000602981287 399648524 /nfs/dbraw/zinc/64/85/24/399648524.db2.gz AWJLTRAKYUEIDR-HOCLYGCPSA-N 1 2 308.385 2.973 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccnc(C#N)c1 ZINC000603126430 399688757 /nfs/dbraw/zinc/68/87/57/399688757.db2.gz OWSDCTICJWULCP-HNNXBMFYSA-N 1 2 324.388 2.929 20 30 DFEDLO C=CC[N@H+](Cc1ccc2occc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000289198028 335060610 /nfs/dbraw/zinc/06/06/10/335060610.db2.gz VCIJFEHCVWNARK-OAHLLOKOSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000289198028 335060611 /nfs/dbraw/zinc/06/06/11/335060611.db2.gz VCIJFEHCVWNARK-OAHLLOKOSA-N 1 2 305.399 2.608 20 30 DFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328617873 257264304 /nfs/dbraw/zinc/26/43/04/257264304.db2.gz DDIOQAPDDJNFLG-UMVBOHGHSA-N 1 2 309.410 2.802 20 30 DFEDLO Cc1cc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c(C#N)c[nH+]1 ZINC000603406218 399768062 /nfs/dbraw/zinc/76/80/62/399768062.db2.gz QWQJIXBZDPQNBL-SFHVURJKSA-N 1 2 317.396 2.848 20 30 DFEDLO C[C@]1(O)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287806186 131300936 /nfs/dbraw/zinc/30/09/36/131300936.db2.gz OULSACSDVIDCJM-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@]1(O)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287806186 131300937 /nfs/dbraw/zinc/30/09/37/131300937.db2.gz OULSACSDVIDCJM-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO COc1ccc(OC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000603840523 399807795 /nfs/dbraw/zinc/80/77/95/399807795.db2.gz PITFKLSFFJQRQH-HNNXBMFYSA-N 1 2 313.401 2.982 20 30 DFEDLO CC#CCCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000185480059 542811180 /nfs/dbraw/zinc/81/11/80/542811180.db2.gz DLJRMEVBCDIALF-UHFFFAOYSA-N 1 2 300.402 2.651 20 30 DFEDLO Cc1nc(N2CCN(c3cccc(Cl)c3C#N)CC2)cc[nH+]1 ZINC000295086158 543029958 /nfs/dbraw/zinc/02/99/58/543029958.db2.gz RQWFBEVHBJSELG-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328651465 543096389 /nfs/dbraw/zinc/09/63/89/543096389.db2.gz JUTWEEDWUPVHAI-YYIAUSFCSA-N 1 2 323.481 2.570 20 30 DFEDLO Cc1[nH+]ccn1CCNC([O-])=[NH+]C1C2CC3CC(C2)CC1C3 ZINC000328879820 543097814 /nfs/dbraw/zinc/09/78/14/543097814.db2.gz VLIDDAHIXMTXDF-UHFFFAOYSA-N 1 2 302.422 2.520 20 30 DFEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329729401 543108438 /nfs/dbraw/zinc/10/84/38/543108438.db2.gz PFNHRYKWGYSKQW-CABCVRRESA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329729401 543108440 /nfs/dbraw/zinc/10/84/40/543108440.db2.gz PFNHRYKWGYSKQW-CABCVRRESA-N 1 2 310.357 2.534 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc2ccnn2c1 ZINC000604549197 399854903 /nfs/dbraw/zinc/85/49/03/399854903.db2.gz YUCSPRHNHUCVLH-UHFFFAOYSA-N 1 2 303.369 2.789 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2ccnn2c1 ZINC000604549197 399854904 /nfs/dbraw/zinc/85/49/04/399854904.db2.gz YUCSPRHNHUCVLH-UHFFFAOYSA-N 1 2 303.369 2.789 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000342505207 543163036 /nfs/dbraw/zinc/16/30/36/543163036.db2.gz YKCUNXZCENNKRP-UHFFFAOYSA-N 1 2 315.421 2.725 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000342505207 543163039 /nfs/dbraw/zinc/16/30/39/543163039.db2.gz YKCUNXZCENNKRP-UHFFFAOYSA-N 1 2 315.421 2.725 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000052442295 425884449 /nfs/dbraw/zinc/88/44/49/425884449.db2.gz CKERWBJHRZIJQO-LLVKDONJSA-N 1 2 319.243 2.884 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000052442295 425884450 /nfs/dbraw/zinc/88/44/50/425884450.db2.gz CKERWBJHRZIJQO-LLVKDONJSA-N 1 2 319.243 2.884 20 30 DFEDLO C=CC(C)(C)CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000628317184 400019670 /nfs/dbraw/zinc/01/96/70/400019670.db2.gz YYKXZISZARDPAT-UHFFFAOYSA-N 1 2 316.445 2.851 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000186378381 145713888 /nfs/dbraw/zinc/71/38/88/145713888.db2.gz OZMWAJKQPMTXNH-WBMJQRKESA-N 1 2 312.348 2.617 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355434497 147314617 /nfs/dbraw/zinc/31/46/17/147314617.db2.gz JGEAEFGBBGPCDA-UHFFFAOYSA-N 1 2 303.284 2.591 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355434497 147314620 /nfs/dbraw/zinc/31/46/20/147314620.db2.gz JGEAEFGBBGPCDA-UHFFFAOYSA-N 1 2 303.284 2.591 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(CCCO)c3)n2c1 ZINC000359088531 148553014 /nfs/dbraw/zinc/55/30/14/148553014.db2.gz ZKDWDRDCRZONOT-UHFFFAOYSA-N 1 2 306.369 2.743 20 30 DFEDLO N#Cc1c(N[C@@H]2CCCN(c3cccc[nH+]3)C2)nc2ccccn21 ZINC000360688616 148908819 /nfs/dbraw/zinc/90/88/19/148908819.db2.gz CBLJMAYISZMUDW-CQSZACIVSA-N 1 2 318.384 2.682 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000371296150 150018349 /nfs/dbraw/zinc/01/83/49/150018349.db2.gz XHUAQFFXOPSELD-CQSZACIVSA-N 1 2 309.373 2.762 20 30 DFEDLO CC(C)CCOCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371294054 150018369 /nfs/dbraw/zinc/01/83/69/150018369.db2.gz ZANDRVLRPKIASR-SFHVURJKSA-N 1 2 302.418 2.994 20 30 DFEDLO CC(C)CCOCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371294054 150018372 /nfs/dbraw/zinc/01/83/72/150018372.db2.gz ZANDRVLRPKIASR-SFHVURJKSA-N 1 2 302.418 2.994 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2sccc2C#N)c1 ZINC000371392637 150037116 /nfs/dbraw/zinc/03/71/16/150037116.db2.gz KCJBRGNCALTHMU-UHFFFAOYSA-N 1 2 322.393 2.950 20 30 DFEDLO N#Cc1cccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000373125783 150236233 /nfs/dbraw/zinc/23/62/33/150236233.db2.gz OOGKURNLNKUPOH-UHFFFAOYSA-N 1 2 315.380 2.874 20 30 DFEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000374350639 150349872 /nfs/dbraw/zinc/34/98/72/150349872.db2.gz MHYKBIKUIAABIH-CQSZACIVSA-N 1 2 315.373 2.546 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000133170629 196317951 /nfs/dbraw/zinc/31/79/51/196317951.db2.gz DVVWCQIRZYRFKK-INIZCTEOSA-N 1 2 322.412 2.695 20 30 DFEDLO CC(C)COC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000054325356 425889961 /nfs/dbraw/zinc/88/99/61/425889961.db2.gz NSTAGNIAGQDOIO-UHFFFAOYSA-N 1 2 321.446 2.695 20 30 DFEDLO Cc1nc([C@](C)([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)no1 ZINC000433303408 296905403 /nfs/dbraw/zinc/90/54/03/296905403.db2.gz LCIHMPNOUMAYLQ-MRXNPFEDSA-N 1 2 300.337 2.804 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OCC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000667541602 543626602 /nfs/dbraw/zinc/62/66/02/543626602.db2.gz VUXCQEOWLWVPFZ-MRXNPFEDSA-N 1 2 323.458 2.569 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OCC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000667541602 543626605 /nfs/dbraw/zinc/62/66/05/543626605.db2.gz VUXCQEOWLWVPFZ-MRXNPFEDSA-N 1 2 323.458 2.569 20 30 DFEDLO C=CCN(C(=O)Nc1c[nH+]c2c(C)cccn12)[C@@H](C)COC ZINC000667959158 543712569 /nfs/dbraw/zinc/71/25/69/543712569.db2.gz GOSYKPNWGUHPHA-ZDUSSCGKSA-N 1 2 302.378 2.698 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1OC ZINC000668522495 543817977 /nfs/dbraw/zinc/81/79/77/543817977.db2.gz XYBOVSQMWSFPIO-UHFFFAOYSA-N 1 2 303.362 2.583 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1OC ZINC000668522495 543817979 /nfs/dbraw/zinc/81/79/79/543817979.db2.gz XYBOVSQMWSFPIO-UHFFFAOYSA-N 1 2 303.362 2.583 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1Cl ZINC000668605698 543835791 /nfs/dbraw/zinc/83/57/91/543835791.db2.gz ZUTSWRJRPKQOGK-UHFFFAOYSA-N 1 2 306.797 2.665 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1Cl ZINC000668605698 543835793 /nfs/dbraw/zinc/83/57/93/543835793.db2.gz ZUTSWRJRPKQOGK-UHFFFAOYSA-N 1 2 306.797 2.665 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000668797777 543870114 /nfs/dbraw/zinc/87/01/14/543870114.db2.gz HFCMMCHJRPGUOS-UHFFFAOYSA-N 1 2 320.343 2.796 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000668797777 543870115 /nfs/dbraw/zinc/87/01/15/543870115.db2.gz HFCMMCHJRPGUOS-UHFFFAOYSA-N 1 2 320.343 2.796 20 30 DFEDLO C=CC[C@@H](C)[C@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291156785 335078834 /nfs/dbraw/zinc/07/88/34/335078834.db2.gz HXJRRFOTUNXZKE-CABCVRRESA-N 1 2 301.434 2.631 20 30 DFEDLO C=CC[C@@H](C)[C@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291156785 335078833 /nfs/dbraw/zinc/07/88/33/335078833.db2.gz HXJRRFOTUNXZKE-CABCVRRESA-N 1 2 301.434 2.631 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673780788 544197974 /nfs/dbraw/zinc/19/79/74/544197974.db2.gz BTBPRLZIDXZKCX-UHFFFAOYSA-N 1 2 300.406 2.793 20 30 DFEDLO C=C(C)[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000184599753 335080029 /nfs/dbraw/zinc/08/00/29/335080029.db2.gz AAHJBYUAUWTLHY-HNNXBMFYSA-N 1 2 320.343 2.778 20 30 DFEDLO C=CCN(C(=O)NCCn1c(CC)[nH+]c2ccccc21)C1CC1 ZINC000678550447 544690858 /nfs/dbraw/zinc/69/08/58/544690858.db2.gz AOAAQXHIFDQZTQ-UHFFFAOYSA-N 1 2 312.417 2.959 20 30 DFEDLO C=C(C)CN(C)C(=O)NCCn1c2ccccc2[nH+]c1CC ZINC000679381298 544845540 /nfs/dbraw/zinc/84/55/40/544845540.db2.gz XPHXDQUEOJDLKJ-UHFFFAOYSA-N 1 2 300.406 2.816 20 30 DFEDLO C=CCCCS(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000291950713 335085174 /nfs/dbraw/zinc/08/51/74/335085174.db2.gz ZZFZNVOCWHPYDV-UHFFFAOYSA-N 1 2 308.325 2.746 20 30 DFEDLO Cc1cccn2cc(CNc3nc4ccccn4c3C#N)[nH+]c12 ZINC000302206841 230161215 /nfs/dbraw/zinc/16/12/15/230161215.db2.gz XICRLQDMKMNLRL-UHFFFAOYSA-N 1 2 302.341 2.774 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000302224576 230181097 /nfs/dbraw/zinc/18/10/97/230181097.db2.gz UTGAHUABIBYGRO-CQSZACIVSA-N 1 2 310.313 2.519 20 30 DFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000057879811 425897425 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N#Cc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1F ZINC000340903600 268247648 /nfs/dbraw/zinc/24/76/48/268247648.db2.gz WDRZYAGYDWKCJM-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346970578 268266061 /nfs/dbraw/zinc/26/60/61/268266061.db2.gz ACDUPEPCNDHUBQ-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346970578 268266064 /nfs/dbraw/zinc/26/60/64/268266064.db2.gz ACDUPEPCNDHUBQ-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000353167424 268266533 /nfs/dbraw/zinc/26/65/33/268266533.db2.gz FRIDLENOTIYEIA-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000353167424 268266536 /nfs/dbraw/zinc/26/65/36/268266536.db2.gz FRIDLENOTIYEIA-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000491476777 268266799 /nfs/dbraw/zinc/26/67/99/268266799.db2.gz 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/nfs/dbraw/zinc/07/03/96/426070396.db2.gz DRSKMQSYWNLTIN-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000114492190 426137381 /nfs/dbraw/zinc/13/73/81/426137381.db2.gz VTAYAAZUUIITEB-UHFFFAOYSA-N 1 2 315.314 2.576 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c(C#N)c1C ZINC000127611266 426076663 /nfs/dbraw/zinc/07/66/63/426076663.db2.gz FRIHIDNCKFCXOX-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c(C#N)c1C ZINC000127611266 426076665 /nfs/dbraw/zinc/07/66/65/426076665.db2.gz FRIHIDNCKFCXOX-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127739832 426083433 /nfs/dbraw/zinc/08/34/33/426083433.db2.gz FHAYUEBDMJCYCO-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127739832 426083436 /nfs/dbraw/zinc/08/34/36/426083436.db2.gz FHAYUEBDMJCYCO-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000127739427 426083865 /nfs/dbraw/zinc/08/38/65/426083865.db2.gz NAMKNICWBNPVDL-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000127739427 426083868 /nfs/dbraw/zinc/08/38/68/426083868.db2.gz NAMKNICWBNPVDL-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO COCCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000171635813 426200906 /nfs/dbraw/zinc/20/09/06/426200906.db2.gz URVKEZPVTMQEGY-UHFFFAOYSA-N 1 2 314.389 2.541 20 30 DFEDLO COCCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000171635813 426200908 /nfs/dbraw/zinc/20/09/08/426200908.db2.gz URVKEZPVTMQEGY-UHFFFAOYSA-N 1 2 314.389 2.541 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000079873315 426204810 /nfs/dbraw/zinc/20/48/10/426204810.db2.gz CMWFAKVKXRCYGB-CQSZACIVSA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000079873315 426204812 /nfs/dbraw/zinc/20/48/12/426204812.db2.gz CMWFAKVKXRCYGB-CQSZACIVSA-N 1 2 317.408 2.798 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000114725077 426142912 /nfs/dbraw/zinc/14/29/12/426142912.db2.gz CBYPXBYGVVKGEQ-HNNXBMFYSA-N 1 2 317.433 2.525 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000114725077 426142915 /nfs/dbraw/zinc/14/29/15/426142915.db2.gz CBYPXBYGVVKGEQ-HNNXBMFYSA-N 1 2 317.433 2.525 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000131732121 426166298 /nfs/dbraw/zinc/16/62/98/426166298.db2.gz JJAIRFIJSXIOQP-INIZCTEOSA-N 1 2 318.465 2.868 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000131732121 426166300 /nfs/dbraw/zinc/16/63/00/426166300.db2.gz JJAIRFIJSXIOQP-INIZCTEOSA-N 1 2 318.465 2.868 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115545221 426166326 /nfs/dbraw/zinc/16/63/26/426166326.db2.gz CHFXMIIELIKKLE-GOSISDBHSA-N 1 2 323.396 2.615 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115545221 426166327 /nfs/dbraw/zinc/16/63/27/426166327.db2.gz CHFXMIIELIKKLE-GOSISDBHSA-N 1 2 323.396 2.615 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000171365089 426186022 /nfs/dbraw/zinc/18/60/22/426186022.db2.gz ILEABAIIAOXKFP-OAHLLOKOSA-N 1 2 307.401 2.904 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccs1 ZINC000078955507 426188212 /nfs/dbraw/zinc/18/82/12/426188212.db2.gz DVQVFMUBRFOPLV-INIZCTEOSA-N 1 2 305.447 2.791 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccs1 ZINC000078955507 426188214 /nfs/dbraw/zinc/18/82/14/426188214.db2.gz DVQVFMUBRFOPLV-INIZCTEOSA-N 1 2 305.447 2.791 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024988 426188781 /nfs/dbraw/zinc/18/87/81/426188781.db2.gz NXWKZWRZMVFBLZ-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024988 426188783 /nfs/dbraw/zinc/18/87/83/426188783.db2.gz NXWKZWRZMVFBLZ-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000171988797 426220331 /nfs/dbraw/zinc/22/03/31/426220331.db2.gz MXZRHCYDDISSBM-AWEZNQCLSA-N 1 2 320.437 2.761 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2cccs2)CC1)C1CC1 ZINC000117895108 426225555 /nfs/dbraw/zinc/22/55/55/426225555.db2.gz WTXAVVYALIOLQM-KRWDZBQOSA-N 1 2 315.442 2.646 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1)C1CC1 ZINC000117895108 426225558 /nfs/dbraw/zinc/22/55/58/426225558.db2.gz WTXAVVYALIOLQM-KRWDZBQOSA-N 1 2 315.442 2.646 20 30 DFEDLO C=CC1CC[NH+]([C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)CC1 ZINC000137330286 426253212 /nfs/dbraw/zinc/25/32/12/426253212.db2.gz TUZCLUMXZIMPEK-QGZVFWFLSA-N 1 2 319.401 2.816 20 30 DFEDLO O=C(C#Cc1ccccc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000080622489 426215717 /nfs/dbraw/zinc/21/57/17/426215717.db2.gz ZDUKXLPZZFWXEL-UHFFFAOYSA-N 1 2 319.339 2.679 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000151696210 426308946 /nfs/dbraw/zinc/30/89/46/426308946.db2.gz AROBFDOQXQFPES-ZDUSSCGKSA-N 1 2 306.431 2.627 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121180361 426322409 /nfs/dbraw/zinc/32/24/09/426322409.db2.gz VZALMDNQLYFCHD-LJQANCHMSA-N 1 2 316.445 2.659 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121180361 426322413 /nfs/dbraw/zinc/32/24/13/426322413.db2.gz VZALMDNQLYFCHD-LJQANCHMSA-N 1 2 316.445 2.659 20 30 DFEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090969335 426335472 /nfs/dbraw/zinc/33/54/72/426335472.db2.gz ATCPRVBKKIPBJX-LBPRGKRZSA-N 1 2 306.797 2.797 20 30 DFEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000152518415 426345729 /nfs/dbraw/zinc/34/57/29/426345729.db2.gz YXVQGKCMKSPCJT-HNNXBMFYSA-N 1 2 305.374 2.585 20 30 DFEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000152518415 426345731 /nfs/dbraw/zinc/34/57/31/426345731.db2.gz YXVQGKCMKSPCJT-HNNXBMFYSA-N 1 2 305.374 2.585 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000092674890 426351467 /nfs/dbraw/zinc/35/14/67/426351467.db2.gz FMSPWDANEZAWHC-IBGZPJMESA-N 1 2 322.408 2.925 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000092674890 426351469 /nfs/dbraw/zinc/35/14/69/426351469.db2.gz FMSPWDANEZAWHC-IBGZPJMESA-N 1 2 322.408 2.925 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000122073028 426357832 /nfs/dbraw/zinc/35/78/32/426357832.db2.gz PBEPZLAXAYCMMH-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO Cc1cc(C#N)cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000339975888 268925961 /nfs/dbraw/zinc/92/59/61/268925961.db2.gz NUMAHXXCEFPGTP-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C#N)s2)oc1C ZINC000122434808 426375141 /nfs/dbraw/zinc/37/51/41/426375141.db2.gz SBJSQHXFDRRCOW-UHFFFAOYSA-N 1 2 304.371 2.940 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)s2)oc1C ZINC000122434808 426375145 /nfs/dbraw/zinc/37/51/45/426375145.db2.gz SBJSQHXFDRRCOW-UHFFFAOYSA-N 1 2 304.371 2.940 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000153792832 426406227 /nfs/dbraw/zinc/40/62/27/426406227.db2.gz YSTJUGKKEDEGEC-CYBMUJFWSA-N 1 2 301.419 2.959 20 30 DFEDLO N#CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153368805 426382788 /nfs/dbraw/zinc/38/27/88/426382788.db2.gz FABKNCLRTHDUCP-UHFFFAOYSA-N 1 2 312.329 2.985 20 30 DFEDLO Clc1ccc(C#CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000176979781 426430515 /nfs/dbraw/zinc/43/05/15/426430515.db2.gz ALXPYTREZYPMJT-UHFFFAOYSA-N 1 2 311.816 2.909 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000154394496 426438697 /nfs/dbraw/zinc/43/86/97/426438697.db2.gz JKIYCYUSXIKIEP-CYBMUJFWSA-N 1 2 324.471 2.669 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000154394496 426438699 /nfs/dbraw/zinc/43/86/99/426438699.db2.gz JKIYCYUSXIKIEP-CYBMUJFWSA-N 1 2 324.471 2.669 20 30 DFEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000097061892 426444880 /nfs/dbraw/zinc/44/48/80/426444880.db2.gz XRVAFYIDLJKIAP-TZMCWYRMSA-N 1 2 313.426 2.571 20 30 DFEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000097061892 426444883 /nfs/dbraw/zinc/44/48/83/426444883.db2.gz XRVAFYIDLJKIAP-TZMCWYRMSA-N 1 2 313.426 2.571 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780040 426520549 /nfs/dbraw/zinc/52/05/49/426520549.db2.gz UWJJZXXWKRITJQ-UHFFFAOYSA-N 1 2 319.368 2.548 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288543282 426526717 /nfs/dbraw/zinc/52/67/17/426526717.db2.gz AEDPACDHFBKJHG-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288543282 426526722 /nfs/dbraw/zinc/52/67/22/426526722.db2.gz AEDPACDHFBKJHG-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264421684 426550807 /nfs/dbraw/zinc/55/08/07/426550807.db2.gz AFUOJRILRMAWRE-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000186282030 426499991 /nfs/dbraw/zinc/49/99/91/426499991.db2.gz REWRDFLUPTUYLO-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000264137746 426502565 /nfs/dbraw/zinc/50/25/65/426502565.db2.gz PWAZIRHXJRWLKH-GXSJLCMTSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000264137746 426502569 /nfs/dbraw/zinc/50/25/69/426502569.db2.gz PWAZIRHXJRWLKH-GXSJLCMTSA-N 1 2 307.419 2.532 20 30 DFEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000264533819 426568917 /nfs/dbraw/zinc/56/89/17/426568917.db2.gz FEAMJPGBXMIKRT-OAHLLOKOSA-N 1 2 315.398 2.619 20 30 DFEDLO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000264533819 426568921 /nfs/dbraw/zinc/56/89/21/426568921.db2.gz FEAMJPGBXMIKRT-OAHLLOKOSA-N 1 2 315.398 2.619 20 30 DFEDLO CC[N@H+](CCS(=O)(=O)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000178214903 426587933 /nfs/dbraw/zinc/58/79/33/426587933.db2.gz SQQDUGUNNFGJBE-AWEZNQCLSA-N 1 2 308.447 2.764 20 30 DFEDLO CC[N@@H+](CCS(=O)(=O)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000178214903 426587937 /nfs/dbraw/zinc/58/79/37/426587937.db2.gz SQQDUGUNNFGJBE-AWEZNQCLSA-N 1 2 308.447 2.764 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000280583641 426606191 /nfs/dbraw/zinc/60/61/91/426606191.db2.gz HTVPLEHPXKFZMD-UHFFFAOYSA-N 1 2 312.373 2.515 20 30 DFEDLO CCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000265441431 426636561 /nfs/dbraw/zinc/63/65/61/426636561.db2.gz IKSDRDRASPUVPX-MAUKXSAKSA-N 1 2 315.417 2.787 20 30 DFEDLO CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000265441431 426636564 /nfs/dbraw/zinc/63/65/64/426636564.db2.gz IKSDRDRASPUVPX-MAUKXSAKSA-N 1 2 315.417 2.787 20 30 DFEDLO Cc1c(Cl)cnc(NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000273403951 426658705 /nfs/dbraw/zinc/65/87/05/426658705.db2.gz WPXYNJKQNYPBNK-UHFFFAOYSA-N 1 2 301.781 2.988 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273531987 426679839 /nfs/dbraw/zinc/67/98/39/426679839.db2.gz TTXOIZBNLICYKZ-HOCLYGCPSA-N 1 2 322.449 2.932 20 30 DFEDLO C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273556372 426684323 /nfs/dbraw/zinc/68/43/23/426684323.db2.gz HABLTGIHBHTYET-ZDUSSCGKSA-N 1 2 319.405 2.992 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1ccc(F)cc1 ZINC000280667014 426629418 /nfs/dbraw/zinc/62/94/18/426629418.db2.gz POERUXYUIBJWGP-BPUTZDHNSA-N 1 2 307.365 2.611 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C1=O ZINC000281152861 426703224 /nfs/dbraw/zinc/70/32/24/426703224.db2.gz FNZXEZZVWUPSCK-ZDUSSCGKSA-N 1 2 307.463 2.659 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C1=O ZINC000281152861 426703227 /nfs/dbraw/zinc/70/32/27/426703227.db2.gz FNZXEZZVWUPSCK-ZDUSSCGKSA-N 1 2 307.463 2.659 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000178833318 426704548 /nfs/dbraw/zinc/70/45/48/426704548.db2.gz ZHWMGDIWXXMIMU-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000178833318 426704551 /nfs/dbraw/zinc/70/45/51/426704551.db2.gz ZHWMGDIWXXMIMU-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC000281183252 426705199 /nfs/dbraw/zinc/70/51/99/426705199.db2.gz YYYAUBDWYALULW-HOCLYGCPSA-N 1 2 319.474 2.794 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(C3CCCCC3)no2)C1=O ZINC000281514147 426721362 /nfs/dbraw/zinc/72/13/62/426721362.db2.gz YXVCSGVQDRPOPD-OCCSQVGLSA-N 1 2 318.421 2.555 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C3CCCCC3)no2)C1=O ZINC000281514138 426721428 /nfs/dbraw/zinc/72/14/28/426721428.db2.gz YXVCSGVQDRPOPD-GXTWGEPZSA-N 1 2 318.421 2.555 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281098623 426701243 /nfs/dbraw/zinc/70/12/43/426701243.db2.gz QOWBQZZHVRPHBM-BBRMVZONSA-N 1 2 314.389 2.745 20 30 DFEDLO C#CCSCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281839662 426776412 /nfs/dbraw/zinc/77/64/12/426776412.db2.gz 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/nfs/dbraw/zinc/75/28/45/426752845.db2.gz IHGSYTPFGUBTPV-ZDUSSCGKSA-N 1 2 324.432 2.723 20 30 DFEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000290384011 426752848 /nfs/dbraw/zinc/75/28/48/426752848.db2.gz IHGSYTPFGUBTPV-ZDUSSCGKSA-N 1 2 324.432 2.723 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)C1=O ZINC000282088702 426827908 /nfs/dbraw/zinc/82/79/08/426827908.db2.gz VDIOZSXUBAIHST-RYQLBKOJSA-N 1 2 314.429 2.544 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)C1=O ZINC000282088702 426827911 /nfs/dbraw/zinc/82/79/11/426827911.db2.gz VDIOZSXUBAIHST-RYQLBKOJSA-N 1 2 314.429 2.544 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000337689221 426922805 /nfs/dbraw/zinc/92/28/05/426922805.db2.gz MWOMPTGWWGIXPM-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO CC(C)[N@H+](Cc1ccc(Br)cc1C#N)C1COC1 ZINC000295354530 426923962 /nfs/dbraw/zinc/92/39/62/426923962.db2.gz IUOLNGQJUYXZAY-UHFFFAOYSA-N 1 2 309.207 2.930 20 30 DFEDLO CC(C)[N@@H+](Cc1ccc(Br)cc1C#N)C1COC1 ZINC000295354530 426923968 /nfs/dbraw/zinc/92/39/68/426923968.db2.gz IUOLNGQJUYXZAY-UHFFFAOYSA-N 1 2 309.207 2.930 20 30 DFEDLO C=CCCC(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275693689 426899876 /nfs/dbraw/zinc/89/98/76/426899876.db2.gz MYUVEHMBIYQGER-CQSZACIVSA-N 1 2 319.474 2.922 20 30 DFEDLO C=CCCC(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275693689 426899895 /nfs/dbraw/zinc/89/98/95/426899895.db2.gz MYUVEHMBIYQGER-CQSZACIVSA-N 1 2 319.474 2.922 20 30 DFEDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181003623 426906867 /nfs/dbraw/zinc/90/68/67/426906867.db2.gz NYZTUGJXNWTKKP-INIZCTEOSA-N 1 2 304.390 2.504 20 30 DFEDLO CC(C)[C@H](NC(=O)c1coc(C2CCOCC2)n1)c1[nH]cc[nH+]1 ZINC000328754013 426993848 /nfs/dbraw/zinc/99/38/48/426993848.db2.gz NYVSEQNQRMNGMS-ZDUSSCGKSA-N 1 2 318.377 2.994 20 30 DFEDLO CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000283114003 426956032 /nfs/dbraw/zinc/95/60/32/426956032.db2.gz 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427003903 /nfs/dbraw/zinc/00/39/03/427003903.db2.gz NPJZPQNNHSTPLA-OAHLLOKOSA-N 1 2 320.437 2.566 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248511855 427006166 /nfs/dbraw/zinc/00/61/66/427006166.db2.gz BXXOBRLNPJZEDE-DZGCQCFKSA-N 1 2 309.772 2.644 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248511855 427006170 /nfs/dbraw/zinc/00/61/70/427006170.db2.gz BXXOBRLNPJZEDE-DZGCQCFKSA-N 1 2 309.772 2.644 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000329031498 427030896 /nfs/dbraw/zinc/03/08/96/427030896.db2.gz LKNVIVZNYGTUNN-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000329031498 427030901 /nfs/dbraw/zinc/03/09/01/427030901.db2.gz LKNVIVZNYGTUNN-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329052910 427033286 /nfs/dbraw/zinc/03/32/86/427033286.db2.gz HKVHYAABNNNCEN-QAPCUYQASA-N 1 2 318.417 2.853 20 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JSSDTKDTAVHACJ-UHFFFAOYSA-N 1 2 319.434 2.648 20 30 DFEDLO Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329276928 427079974 /nfs/dbraw/zinc/07/99/74/427079974.db2.gz LKHXRLKVMLVNDG-GFCCVEGCSA-N 1 2 302.378 2.942 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000292118886 427098890 /nfs/dbraw/zinc/09/88/90/427098890.db2.gz HNMFHNZYSKQSCI-ZDUSSCGKSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000292118886 427098897 /nfs/dbraw/zinc/09/88/97/427098897.db2.gz HNMFHNZYSKQSCI-ZDUSSCGKSA-N 1 2 315.398 2.759 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H]1C ZINC000329486050 427124278 /nfs/dbraw/zinc/12/42/78/427124278.db2.gz QYGIOIWZASEDJH-IPYPFGDCSA-N 1 2 320.437 2.532 20 30 DFEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2conc2C2CC2)C[C@@H](C)O1 ZINC000329202187 427063420 /nfs/dbraw/zinc/06/34/20/427063420.db2.gz XYBWHKKHRKMJRB-VXGBXAGGSA-N 1 2 321.421 2.744 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F 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321.355 2.802 20 30 DFEDLO CSC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000292329536 427174736 /nfs/dbraw/zinc/17/47/36/427174736.db2.gz FZILLAMQIZBTIW-NSHDSACASA-N 1 2 309.460 2.633 20 30 DFEDLO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000292329536 427174742 /nfs/dbraw/zinc/17/47/42/427174742.db2.gz FZILLAMQIZBTIW-NSHDSACASA-N 1 2 309.460 2.633 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1C#N ZINC000183242896 427232075 /nfs/dbraw/zinc/23/20/75/427232075.db2.gz QGMNJIIIDDLFHI-UHFFFAOYSA-N 1 2 304.781 2.586 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1C#N ZINC000183242896 427232083 /nfs/dbraw/zinc/23/20/83/427232083.db2.gz QGMNJIIIDDLFHI-UHFFFAOYSA-N 1 2 304.781 2.586 20 30 DFEDLO COCC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1OC ZINC000191114776 427259225 /nfs/dbraw/zinc/25/92/25/427259225.db2.gz DSOOQKFPZPCAGP-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1OC ZINC000191114776 427259229 /nfs/dbraw/zinc/25/92/29/427259229.db2.gz DSOOQKFPZPCAGP-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000330782319 427301165 /nfs/dbraw/zinc/30/11/65/427301165.db2.gz PHBCIOYHYBNMOP-UHFFFAOYSA-N 1 2 307.357 2.734 20 30 DFEDLO CC1(C)CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330933519 427316323 /nfs/dbraw/zinc/31/63/23/427316323.db2.gz DJJRAURDXLYDIJ-UHFFFAOYSA-N 1 2 304.316 2.591 20 30 DFEDLO C[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H]1C ZINC000330940580 427317615 /nfs/dbraw/zinc/31/76/15/427317615.db2.gz XQZVQBDBVXYKAU-GHMZBOCLSA-N 1 2 318.343 2.980 20 30 DFEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191457185 427353791 /nfs/dbraw/zinc/35/37/91/427353791.db2.gz HIGOYIMUHQJILZ-CYBMUJFWSA-N 1 2 305.422 2.839 20 30 DFEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191457185 427353796 /nfs/dbraw/zinc/35/37/96/427353796.db2.gz HIGOYIMUHQJILZ-CYBMUJFWSA-N 1 2 305.422 2.839 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000277803618 427324661 /nfs/dbraw/zinc/32/46/61/427324661.db2.gz PMNODWVOXYLVEO-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810092 427346890 /nfs/dbraw/zinc/34/68/90/427346890.db2.gz GGXKEVHLBWODFM-DYVFJYSZSA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810092 427346895 /nfs/dbraw/zinc/34/68/95/427346895.db2.gz GGXKEVHLBWODFM-DYVFJYSZSA-N 1 2 319.836 2.507 20 30 DFEDLO CC(C)CC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331119178 427351262 /nfs/dbraw/zinc/35/12/62/427351262.db2.gz NPGYEAWRWQYFIN-ZWKOTPCHSA-N 1 2 302.418 2.729 20 30 DFEDLO CC(C)CC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331119178 427351270 /nfs/dbraw/zinc/35/12/70/427351270.db2.gz NPGYEAWRWQYFIN-ZWKOTPCHSA-N 1 2 302.418 2.729 20 30 DFEDLO N#Cc1cc(F)c(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000269862033 427294545 /nfs/dbraw/zinc/29/45/45/427294545.db2.gz JLKMSDMJIQSITF-LBPRGKRZSA-N 1 2 300.312 2.922 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)O1 ZINC000331281630 427389940 /nfs/dbraw/zinc/38/99/40/427389940.db2.gz VGEURSHYAOHMIW-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)O1 ZINC000331281630 427389947 /nfs/dbraw/zinc/38/99/47/427389947.db2.gz VGEURSHYAOHMIW-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278120026 427410313 /nfs/dbraw/zinc/41/03/13/427410313.db2.gz QGJPMNYXGKJXIM-GOEBONIOSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278120026 427410320 /nfs/dbraw/zinc/41/03/20/427410320.db2.gz QGJPMNYXGKJXIM-GOEBONIOSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000286285855 427479475 /nfs/dbraw/zinc/47/94/75/427479475.db2.gz RNABLAMIRVYFGQ-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)s2)cn1 ZINC000191752677 427419973 /nfs/dbraw/zinc/41/99/73/427419973.db2.gz DKHSFZWCRXNWAO-AWEZNQCLSA-N 1 2 304.444 2.643 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)s2)cn1 ZINC000191752677 427419980 /nfs/dbraw/zinc/41/99/80/427419980.db2.gz DKHSFZWCRXNWAO-AWEZNQCLSA-N 1 2 304.444 2.643 20 30 DFEDLO C=C(C)COc1cc(C[N@H+](CC)CC(=O)OC)ccc1OC ZINC000271172440 427431280 /nfs/dbraw/zinc/43/12/80/427431280.db2.gz VWTAZJXHVHTROF-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+](CC)CC(=O)OC)ccc1OC ZINC000271172440 427431288 /nfs/dbraw/zinc/43/12/88/427431288.db2.gz VWTAZJXHVHTROF-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@]1=O ZINC000192192735 427501630 /nfs/dbraw/zinc/50/16/30/427501630.db2.gz SUIWRBIQBVAKRT-OAQYLSRUSA-N 1 2 308.422 2.820 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@]1=O ZINC000192192735 427501633 /nfs/dbraw/zinc/50/16/33/427501633.db2.gz SUIWRBIQBVAKRT-OAQYLSRUSA-N 1 2 308.422 2.820 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278935598 427504720 /nfs/dbraw/zinc/50/47/20/427504720.db2.gz NADWDMPPMULHAF-NSHDSACASA-N 1 2 305.332 2.608 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278935598 427504727 /nfs/dbraw/zinc/50/47/27/427504727.db2.gz NADWDMPPMULHAF-NSHDSACASA-N 1 2 305.332 2.608 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000332146800 427525452 /nfs/dbraw/zinc/52/54/52/427525452.db2.gz TYXJRELPMZUHAI-INIZCTEOSA-N 1 2 321.428 2.536 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000298199903 427531617 /nfs/dbraw/zinc/53/16/17/427531617.db2.gz HVHHBRRECKODHQ-OAHLLOKOSA-N 1 2 321.380 2.910 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000271458790 427547184 /nfs/dbraw/zinc/54/71/84/427547184.db2.gz PPHVEWYOLKTJGK-UHFFFAOYSA-N 1 2 309.753 2.837 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000271458790 427547189 /nfs/dbraw/zinc/54/71/89/427547189.db2.gz PPHVEWYOLKTJGK-UHFFFAOYSA-N 1 2 309.753 2.837 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)C1CC1 ZINC000271460500 427547842 /nfs/dbraw/zinc/54/78/42/427547842.db2.gz PUPFINMDBYDMEV-UHFFFAOYSA-N 1 2 303.387 2.992 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)C1CC1 ZINC000271460500 427547849 /nfs/dbraw/zinc/54/78/49/427547849.db2.gz PUPFINMDBYDMEV-UHFFFAOYSA-N 1 2 303.387 2.992 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192787673 427612168 /nfs/dbraw/zinc/61/21/68/427612168.db2.gz QOTHFCGKYLHWNU-UHFFFAOYSA-N 1 2 303.325 2.606 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1OC ZINC000338999259 427614856 /nfs/dbraw/zinc/61/48/56/427614856.db2.gz QKAKOGIBFZDZMX-KRWDZBQOSA-N 1 2 309.381 2.556 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1OC ZINC000338999259 427614862 /nfs/dbraw/zinc/61/48/62/427614862.db2.gz QKAKOGIBFZDZMX-KRWDZBQOSA-N 1 2 309.381 2.556 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2cc(C#N)ccc2OC)CC[S@]1=O ZINC000185234719 427617119 /nfs/dbraw/zinc/61/71/19/427617119.db2.gz YVHVSBJMVGXYKB-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2cc(C#N)ccc2OC)CC[S@]1=O ZINC000185234719 427617126 /nfs/dbraw/zinc/61/71/26/427617126.db2.gz YVHVSBJMVGXYKB-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184999841 427573939 /nfs/dbraw/zinc/57/39/39/427573939.db2.gz AGPPVRICWJJYDU-JTQLQIEISA-N 1 2 318.402 2.822 20 30 DFEDLO N#Cc1nccnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000263799421 427576065 /nfs/dbraw/zinc/57/60/65/427576065.db2.gz LFRCGMRLUAUDQE-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643233 427581278 /nfs/dbraw/zinc/58/12/78/427581278.db2.gz YNZIQSZGAYXDKA-AWEZNQCLSA-N 1 2 317.389 2.616 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643233 427581287 /nfs/dbraw/zinc/58/12/87/427581287.db2.gz YNZIQSZGAYXDKA-AWEZNQCLSA-N 1 2 317.389 2.616 20 30 DFEDLO Cc1cc(C#N)nc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000287488654 427623212 /nfs/dbraw/zinc/62/32/12/427623212.db2.gz XXRGNCBNWSCLPS-CQSZACIVSA-N 1 2 317.343 2.650 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC000338951033 427584372 /nfs/dbraw/zinc/58/43/72/427584372.db2.gz CQBYKIVFGQSPFE-DOMZBBRYSA-N 1 2 311.809 2.605 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000264083723 427653492 /nfs/dbraw/zinc/65/34/92/427653492.db2.gz FGQPUJNPSMCWDZ-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCS[C@@H](C)C1 ZINC000264083723 427653497 /nfs/dbraw/zinc/65/34/97/427653497.db2.gz FGQPUJNPSMCWDZ-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO CCc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000264109225 427661464 /nfs/dbraw/zinc/66/14/64/427661464.db2.gz JZCMSVJOZXWSRY-UHFFFAOYSA-N 1 2 312.373 2.547 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287723535 427678450 /nfs/dbraw/zinc/67/84/50/427678450.db2.gz KEODAICNNGYCKF-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287723535 427678455 /nfs/dbraw/zinc/67/84/55/427678455.db2.gz KEODAICNNGYCKF-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000343717550 272207887 /nfs/dbraw/zinc/20/78/87/272207887.db2.gz GVRXNIHCQOIVSH-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000343717550 272207890 /nfs/dbraw/zinc/20/78/90/272207890.db2.gz GVRXNIHCQOIVSH-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000279485671 427684827 /nfs/dbraw/zinc/68/48/27/427684827.db2.gz HGGDVPOHJJNMOM-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CCOCCC#N)CC1 ZINC000339183551 427721232 /nfs/dbraw/zinc/72/12/32/427721232.db2.gz AOJRUGUQCMONID-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339170582 427716261 /nfs/dbraw/zinc/71/62/61/427716261.db2.gz HRYSWHSIWVZPGY-AWEZNQCLSA-N 1 2 324.222 2.911 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339170582 427716266 /nfs/dbraw/zinc/71/62/66/427716266.db2.gz HRYSWHSIWVZPGY-AWEZNQCLSA-N 1 2 324.222 2.911 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000287927420 427716417 /nfs/dbraw/zinc/71/64/17/427716417.db2.gz WNFFKZNQGFFKPM-CQSZACIVSA-N 1 2 323.234 2.914 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000287927420 427716421 /nfs/dbraw/zinc/71/64/21/427716421.db2.gz WNFFKZNQGFFKPM-CQSZACIVSA-N 1 2 323.234 2.914 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1nc2ccccn2c1C#N ZINC000301145337 427778516 /nfs/dbraw/zinc/77/85/16/427778516.db2.gz GDHHIJJPRIFYRO-UHFFFAOYSA-N 1 2 316.368 2.976 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCCCO1 ZINC000299051614 427743507 /nfs/dbraw/zinc/74/35/07/427743507.db2.gz LOXGTGUTFYRTSP-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCCCO1 ZINC000299051614 427743510 /nfs/dbraw/zinc/74/35/10/427743510.db2.gz LOXGTGUTFYRTSP-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO COc1ccc2c(c1OC)O/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000194591027 427748754 /nfs/dbraw/zinc/74/87/54/427748754.db2.gz JWCQLWFFPRFWEX-UVTDQMKNSA-N 1 2 322.320 2.968 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](CCO)C1 ZINC000336792033 427752343 /nfs/dbraw/zinc/75/23/43/427752343.db2.gz QEOOZTFSFVKSKU-LLVKDONJSA-N 1 2 309.207 2.525 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000336792033 427752344 /nfs/dbraw/zinc/75/23/44/427752344.db2.gz QEOOZTFSFVKSKU-LLVKDONJSA-N 1 2 309.207 2.525 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301645480 427811714 /nfs/dbraw/zinc/81/17/14/427811714.db2.gz PDYPEAYGCFRSNO-OAHLLOKOSA-N 1 2 310.313 2.519 20 30 DFEDLO Cc1cc(NCCCc2nnc3ccccn32)c(C#N)c(C)[nH+]1 ZINC000301752454 427821462 /nfs/dbraw/zinc/82/14/62/427821462.db2.gz BMFRQYRWRUFCBZ-UHFFFAOYSA-N 1 2 306.373 2.658 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000339754138 427822955 /nfs/dbraw/zinc/82/29/55/427822955.db2.gz MWWDQFJAXWEGPQ-UHFFFAOYSA-N 1 2 313.401 2.688 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000339754138 427822956 /nfs/dbraw/zinc/82/29/56/427822956.db2.gz MWWDQFJAXWEGPQ-UHFFFAOYSA-N 1 2 313.401 2.688 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000339766614 427824713 /nfs/dbraw/zinc/82/47/13/427824713.db2.gz RTEVWRPSOGRECD-SNVBAGLBSA-N 1 2 305.378 2.718 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000339766614 427824715 /nfs/dbraw/zinc/82/47/15/427824715.db2.gz RTEVWRPSOGRECD-SNVBAGLBSA-N 1 2 305.378 2.718 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000339766102 427824826 /nfs/dbraw/zinc/82/48/26/427824826.db2.gz OKAFNVUHJSTTOG-GFCCVEGCSA-N 1 2 308.809 2.939 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000339766102 427824827 /nfs/dbraw/zinc/82/48/27/427824827.db2.gz OKAFNVUHJSTTOG-GFCCVEGCSA-N 1 2 308.809 2.939 20 30 DFEDLO Cc1cc(NCCCN(C)CC(F)(F)F)c(C#N)c(C)[nH+]1 ZINC000301802442 427825458 /nfs/dbraw/zinc/82/54/58/427825458.db2.gz WOCPVPSRONVEFO-UHFFFAOYSA-N 1 2 300.328 2.866 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000339825221 427841436 /nfs/dbraw/zinc/84/14/36/427841436.db2.gz YFNJDSJGQIUXCI-UHFFFAOYSA-N 1 2 314.348 2.947 20 30 DFEDLO C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000340539394 427878113 /nfs/dbraw/zinc/87/81/13/427878113.db2.gz YWLVBFLFADWSHG-AWEZNQCLSA-N 1 2 303.369 2.990 20 30 DFEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359529883 427892939 /nfs/dbraw/zinc/89/29/39/427892939.db2.gz LJGNOLQQTFRJGI-OAHLLOKOSA-N 1 2 318.323 2.668 20 30 DFEDLO N#Cc1cccnc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349901963 427894093 /nfs/dbraw/zinc/89/40/93/427894093.db2.gz FODMJHYUCFUCFS-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416651 427896739 /nfs/dbraw/zinc/89/67/39/427896739.db2.gz RQXJUJUXTMDISM-SUMWQHHRSA-N 1 2 308.372 2.695 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416651 427896742 /nfs/dbraw/zinc/89/67/42/427896742.db2.gz RQXJUJUXTMDISM-SUMWQHHRSA-N 1 2 308.372 2.695 20 30 DFEDLO N#CC1(C[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000359541484 427900473 /nfs/dbraw/zinc/90/04/73/427900473.db2.gz RBZDGMUFWVPNPX-ZDUSSCGKSA-N 1 2 309.207 2.766 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340211157 427955397 /nfs/dbraw/zinc/95/53/97/427955397.db2.gz QWBQGORGDOFLPV-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340211157 427955404 /nfs/dbraw/zinc/95/54/04/427955404.db2.gz QWBQGORGDOFLPV-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000337576356 427966112 /nfs/dbraw/zinc/96/61/12/427966112.db2.gz GLCSWRAAWHXXQR-GDBMZVCRSA-N 1 2 302.418 2.770 20 30 DFEDLO N#Cc1ccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000355982179 427970910 /nfs/dbraw/zinc/97/09/10/427970910.db2.gz DMFJCUXVUPBPGL-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO C=CCOc1ccccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000350359448 427939365 /nfs/dbraw/zinc/93/93/65/427939365.db2.gz RYNRBKXFSCENLW-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000350461990 427941516 /nfs/dbraw/zinc/94/15/16/427941516.db2.gz PEYGWHAKZYJBSR-YGRLFVJLSA-N 1 2 319.771 2.842 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000337545184 427952627 /nfs/dbraw/zinc/95/26/27/427952627.db2.gz NQCMJNHCSVXEDI-AWEZNQCLSA-N 1 2 311.385 2.803 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000337545184 427952631 /nfs/dbraw/zinc/95/26/31/427952631.db2.gz NQCMJNHCSVXEDI-AWEZNQCLSA-N 1 2 311.385 2.803 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376959399 428032723 /nfs/dbraw/zinc/03/27/23/428032723.db2.gz YFJTWRBSTUJWDY-AWEZNQCLSA-N 1 2 323.400 2.778 20 30 DFEDLO C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)Cn1cc[nH+]c1 ZINC000356151786 428044515 /nfs/dbraw/zinc/04/45/15/428044515.db2.gz XRPGUWHIEZUFPH-NVXWUHKLSA-N 1 2 310.401 2.723 20 30 DFEDLO Cc1cc(CNc2ccc(-c3cncnc3)c[nH+]2)ccc1C#N ZINC000341428475 428068102 /nfs/dbraw/zinc/06/81/02/428068102.db2.gz SBGKSZGWLWCRGH-UHFFFAOYSA-N 1 2 301.353 3.331 20 30 DFEDLO N#CC1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000356235639 428080485 /nfs/dbraw/zinc/08/04/85/428080485.db2.gz WJULKGCXWHBIIN-UHFFFAOYSA-N 1 2 319.206 2.832 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000359948254 428090477 /nfs/dbraw/zinc/09/04/77/428090477.db2.gz ZMQGCFIVOCTKNA-UHFFFAOYSA-N 1 2 320.396 2.791 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C2 ZINC000356272615 428099229 /nfs/dbraw/zinc/09/92/29/428099229.db2.gz WEMPSTUFIUCCAY-SMDDNHRTSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)CC2 ZINC000356272615 428099231 /nfs/dbraw/zinc/09/92/31/428099231.db2.gz WEMPSTUFIUCCAY-SMDDNHRTSA-N 1 2 302.422 2.692 20 30 DFEDLO Cn1c[nH+]c2c1CCN(Cc1cccc(OCCCC#N)c1)C2 ZINC000359978314 428101093 /nfs/dbraw/zinc/10/10/93/428101093.db2.gz ZGONTCMYDGYHMB-UHFFFAOYSA-N 1 2 310.401 2.661 20 30 DFEDLO Cn1cnc2c1CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000359978314 428101099 /nfs/dbraw/zinc/10/10/99/428101099.db2.gz ZGONTCMYDGYHMB-UHFFFAOYSA-N 1 2 310.401 2.661 20 30 DFEDLO Cn1cnc2c1CC[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000359978314 428101104 /nfs/dbraw/zinc/10/11/04/428101104.db2.gz ZGONTCMYDGYHMB-UHFFFAOYSA-N 1 2 310.401 2.661 20 30 DFEDLO Cc1ccc(Cn2cc(Br)cc(C#N)c2=O)c(C)[nH+]1 ZINC000351777106 428109662 /nfs/dbraw/zinc/10/96/62/428109662.db2.gz BFGNJZBKTKITEW-UHFFFAOYSA-N 1 2 318.174 2.543 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000356296362 428109993 /nfs/dbraw/zinc/10/99/93/428109993.db2.gz CMRSQKKXKVTMIF-AWEZNQCLSA-N 1 2 316.298 2.873 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000356296362 428109996 /nfs/dbraw/zinc/10/99/96/428109996.db2.gz CMRSQKKXKVTMIF-AWEZNQCLSA-N 1 2 316.298 2.873 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000356302072 428116025 /nfs/dbraw/zinc/11/60/25/428116025.db2.gz LRRJPXZRVDONJO-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000356302072 428116032 /nfs/dbraw/zinc/11/60/32/428116032.db2.gz LRRJPXZRVDONJO-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1cc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)ccn1 ZINC000356323329 428124970 /nfs/dbraw/zinc/12/49/70/428124970.db2.gz QAFVZKJKKCCSKH-UHFFFAOYSA-N 1 2 321.315 2.662 20 30 DFEDLO N#Cc1ccnc(NCc2cn3cc(Cl)ccc3[nH+]2)c1Cl ZINC000341419212 428064954 /nfs/dbraw/zinc/06/49/54/428064954.db2.gz ODZIIINVXZAEJC-UHFFFAOYSA-N 1 2 318.167 3.520 20 30 DFEDLO CCc1[nH+]c(C)ccc1OCC(=O)NCc1cccc(C#N)c1 ZINC000352547470 428144139 /nfs/dbraw/zinc/14/41/39/428144139.db2.gz GYELFNVNYLQGIZ-UHFFFAOYSA-N 1 2 309.369 2.519 20 30 DFEDLO N#Cc1ccnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1Cl ZINC000341734856 428174878 /nfs/dbraw/zinc/17/48/78/428174878.db2.gz UQIJJFDNLBIIFZ-UHFFFAOYSA-N 1 2 323.787 3.464 20 30 DFEDLO CC(C)[N@H+](CCOc1ccccc1C#N)CC(=O)OC(C)(C)C ZINC000346452303 428176090 /nfs/dbraw/zinc/17/60/90/428176090.db2.gz KNJPOGRJBMTXFX-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)[N@@H+](CCOc1ccccc1C#N)CC(=O)OC(C)(C)C ZINC000346452303 428176097 /nfs/dbraw/zinc/17/60/97/428176097.db2.gz KNJPOGRJBMTXFX-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341835473 428223258 /nfs/dbraw/zinc/22/32/58/428223258.db2.gz UNLMBOZZKSHKPG-UHFFFAOYSA-N 1 2 314.410 2.594 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341835473 428223263 /nfs/dbraw/zinc/22/32/63/428223263.db2.gz UNLMBOZZKSHKPG-UHFFFAOYSA-N 1 2 314.410 2.594 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000356470365 428193909 /nfs/dbraw/zinc/19/39/09/428193909.db2.gz GCBRSOPZQBPJMH-QLFBSQMISA-N 1 2 317.433 2.742 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000356470365 428193917 /nfs/dbraw/zinc/19/39/17/428193917.db2.gz GCBRSOPZQBPJMH-QLFBSQMISA-N 1 2 317.433 2.742 20 30 DFEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000341986406 428268383 /nfs/dbraw/zinc/26/83/83/428268383.db2.gz ZINNOULAVPOWJJ-OAHLLOKOSA-N 1 2 315.417 2.574 20 30 DFEDLO C[C@H](C(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000360366203 428269605 /nfs/dbraw/zinc/26/96/05/428269605.db2.gz RDTBYCXKEQNJKG-BBRMVZONSA-N 1 2 308.385 2.552 20 30 DFEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352843662 428276254 /nfs/dbraw/zinc/27/62/54/428276254.db2.gz BNKLYZRYKWGGSQ-SNVBAGLBSA-N 1 2 300.387 2.824 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC000346773945 428309546 /nfs/dbraw/zinc/30/95/46/428309546.db2.gz FPBUNABXXWZTKC-UHFFFAOYSA-N 1 2 310.401 2.830 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378081174 428302623 /nfs/dbraw/zinc/30/26/23/428302623.db2.gz WWXUMAGYNRZTEU-UHFFFAOYSA-N 1 2 308.385 2.620 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378081174 428302627 /nfs/dbraw/zinc/30/26/27/428302627.db2.gz WWXUMAGYNRZTEU-UHFFFAOYSA-N 1 2 308.385 2.620 20 30 DFEDLO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371681382 428399924 /nfs/dbraw/zinc/39/99/24/428399924.db2.gz QIHVQHQLCXLSPO-KDOFPFPSSA-N 1 2 301.409 2.819 20 30 DFEDLO C[C@H](CCc1cccc(F)c1)[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371681382 428399929 /nfs/dbraw/zinc/39/99/29/428399929.db2.gz QIHVQHQLCXLSPO-KDOFPFPSSA-N 1 2 301.409 2.819 20 30 DFEDLO C=CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000371886646 428408088 /nfs/dbraw/zinc/40/80/88/428408088.db2.gz XBOVRCAWNJFJOM-KRWDZBQOSA-N 1 2 313.401 2.991 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N1CC=C(c2ccccc2)CC1)CC1CC1 ZINC000371884530 428409172 /nfs/dbraw/zinc/40/91/72/428409172.db2.gz RTWSTIYKLZVPSO-UHFFFAOYSA-N 1 2 323.440 2.928 20 30 DFEDLO N#CCC[N@H+](CC(=O)N1CC=C(c2ccccc2)CC1)CC1CC1 ZINC000371884530 428409175 /nfs/dbraw/zinc/40/91/75/428409175.db2.gz RTWSTIYKLZVPSO-UHFFFAOYSA-N 1 2 323.440 2.928 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000372003027 428410489 /nfs/dbraw/zinc/41/04/89/428410489.db2.gz LWFVQDZCWCMPFI-INIZCTEOSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000372003027 428410491 /nfs/dbraw/zinc/41/04/91/428410491.db2.gz LWFVQDZCWCMPFI-INIZCTEOSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000372003027 428410493 /nfs/dbraw/zinc/41/04/93/428410493.db2.gz LWFVQDZCWCMPFI-INIZCTEOSA-N 1 2 318.465 2.540 20 30 DFEDLO N#Cc1cccc(NC(=O)C[NH+]2CC(Cc3ccccc3F)C2)c1 ZINC000378325137 428366522 /nfs/dbraw/zinc/36/65/22/428366522.db2.gz CALRRMRONVARJE-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO CCCCNc1cc(N[C@@H](CCC#N)c2ccccc2)nc(N)[nH+]1 ZINC000342802030 428459390 /nfs/dbraw/zinc/45/93/90/428459390.db2.gz HOJSLWCRAXYTOF-HNNXBMFYSA-N 1 2 324.432 3.150 20 30 DFEDLO CCCCNc1cc(N[C@@H](CCC#N)c2ccccc2)[nH+]c(N)n1 ZINC000342802030 428459395 /nfs/dbraw/zinc/45/93/95/428459395.db2.gz HOJSLWCRAXYTOF-HNNXBMFYSA-N 1 2 324.432 3.150 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc(C#N)c1Cl)CCC2 ZINC000342802600 428461134 /nfs/dbraw/zinc/46/11/34/428461134.db2.gz OEQRFLBZXZPDOE-GFCCVEGCSA-N 1 2 301.781 3.101 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000357165775 428416894 /nfs/dbraw/zinc/41/68/94/428416894.db2.gz ZURMVUSGTCOQQD-ZDUSSCGKSA-N 1 2 308.372 2.986 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000357165775 428416899 /nfs/dbraw/zinc/41/68/99/428416899.db2.gz ZURMVUSGTCOQQD-ZDUSSCGKSA-N 1 2 308.372 2.986 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000360959396 428511104 /nfs/dbraw/zinc/51/11/04/428511104.db2.gz FOQZFMLHYSCKBR-QAPCUYQASA-N 1 2 305.385 2.732 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000360959396 428511110 /nfs/dbraw/zinc/51/11/10/428511110.db2.gz FOQZFMLHYSCKBR-QAPCUYQASA-N 1 2 305.385 2.732 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCCOC2)O1 ZINC000373470941 428586574 /nfs/dbraw/zinc/58/65/74/428586574.db2.gz UYBZROJNLHFZRZ-WMZOPIPTSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCCOC2)O1 ZINC000373470941 428586581 /nfs/dbraw/zinc/58/65/81/428586581.db2.gz UYBZROJNLHFZRZ-WMZOPIPTSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)OC ZINC000361110907 428538687 /nfs/dbraw/zinc/53/86/87/428538687.db2.gz RPULJLFJBKETTM-BZSNNMDCSA-N 1 2 317.429 2.732 20 30 DFEDLO C=CCCOCCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357492521 428543522 /nfs/dbraw/zinc/54/35/22/428543522.db2.gz WSZRDKVQFXTNSJ-UHFFFAOYSA-N 1 2 304.365 2.947 20 30 DFEDLO C=CCN(Cc1c[nH+]c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000361331869 428560942 /nfs/dbraw/zinc/56/09/42/428560942.db2.gz PUULGMJQGNFDBI-KRWDZBQOSA-N 1 2 313.401 2.572 20 30 DFEDLO C=CCN(Cc1c[nH]c[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000361331869 428560948 /nfs/dbraw/zinc/56/09/48/428560948.db2.gz PUULGMJQGNFDBI-KRWDZBQOSA-N 1 2 313.401 2.572 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000361509895 428572280 /nfs/dbraw/zinc/57/22/80/428572280.db2.gz FKEAYJVPHXNQHK-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000361509895 428572284 /nfs/dbraw/zinc/57/22/84/428572284.db2.gz FKEAYJVPHXNQHK-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000353573977 428601697 /nfs/dbraw/zinc/60/16/97/428601697.db2.gz IUCUAKREWMSDJM-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000353573977 428601704 /nfs/dbraw/zinc/60/17/04/428601704.db2.gz IUCUAKREWMSDJM-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000408113730 428605068 /nfs/dbraw/zinc/60/50/68/428605068.db2.gz YVTQBXHKEYOABX-WBMJQRKESA-N 1 2 313.392 2.552 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000362045068 428612876 /nfs/dbraw/zinc/61/28/76/428612876.db2.gz FHGSZVZSHVOWTQ-ZDUSSCGKSA-N 1 2 319.380 2.995 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000362045068 428612885 /nfs/dbraw/zinc/61/28/85/428612885.db2.gz FHGSZVZSHVOWTQ-ZDUSSCGKSA-N 1 2 319.380 2.995 20 30 DFEDLO C=CC[C@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000373607357 428618018 /nfs/dbraw/zinc/61/80/18/428618018.db2.gz GNNCUMSMZMUZOW-IRXDYDNUSA-N 1 2 309.413 2.982 20 30 DFEDLO C=CC[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000373607353 428619119 /nfs/dbraw/zinc/61/91/19/428619119.db2.gz GNNCUMSMZMUZOW-DLBZAZTESA-N 1 2 309.413 2.982 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000347706595 428623507 /nfs/dbraw/zinc/62/35/07/428623507.db2.gz OZLSABUFCXYXBF-ZWNOBZJWSA-N 1 2 311.307 2.926 20 30 DFEDLO CC(C)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344120948 428624727 /nfs/dbraw/zinc/62/47/27/428624727.db2.gz RVEMDXLNESZRLB-UHFFFAOYSA-N 1 2 314.389 2.713 20 30 DFEDLO CC(C)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344120948 428624734 /nfs/dbraw/zinc/62/47/34/428624734.db2.gz RVEMDXLNESZRLB-UHFFFAOYSA-N 1 2 314.389 2.713 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccccc1O ZINC000344163117 428626275 /nfs/dbraw/zinc/62/62/75/428626275.db2.gz JGZQNFUAKXIFGU-GOSISDBHSA-N 1 2 324.380 2.652 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1O ZINC000344163117 428626279 /nfs/dbraw/zinc/62/62/79/428626279.db2.gz JGZQNFUAKXIFGU-GOSISDBHSA-N 1 2 324.380 2.652 20 30 DFEDLO C=CCOCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000348041192 428635198 /nfs/dbraw/zinc/63/51/98/428635198.db2.gz WODMVEKXQUOUPC-QGZVFWFLSA-N 1 2 303.402 2.553 20 30 DFEDLO C=CCOCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000348041192 428635205 /nfs/dbraw/zinc/63/52/05/428635205.db2.gz WODMVEKXQUOUPC-QGZVFWFLSA-N 1 2 303.402 2.553 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C#N)cc3C)cn2c1 ZINC000358762928 428664435 /nfs/dbraw/zinc/66/44/35/428664435.db2.gz IOKRVUOPINAHRE-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO C[C@@H](NC(=O)c1ccc(C#N)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000362219888 428664573 /nfs/dbraw/zinc/66/45/73/428664573.db2.gz KZSIYNAPMGKKHH-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC000374307855 428673915 /nfs/dbraw/zinc/67/39/15/428673915.db2.gz IRDQGQFDLVZYOS-LJQANCHMSA-N 1 2 322.408 2.836 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC000374307855 428673920 /nfs/dbraw/zinc/67/39/20/428673920.db2.gz IRDQGQFDLVZYOS-LJQANCHMSA-N 1 2 322.408 2.836 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000362389508 428728285 /nfs/dbraw/zinc/72/82/85/428728285.db2.gz OZGVGDOSYOIDOS-ZDUSSCGKSA-N 1 2 301.415 2.980 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416398259 428731394 /nfs/dbraw/zinc/73/13/94/428731394.db2.gz MIBFWZLWPFVLNM-CXAGYDPISA-N 1 2 323.400 2.520 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000344571060 428677050 /nfs/dbraw/zinc/67/70/50/428677050.db2.gz RMHWMGJGJIOEEY-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000344571060 428677054 /nfs/dbraw/zinc/67/70/54/428677054.db2.gz RMHWMGJGJIOEEY-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C#N)c(F)c1 ZINC000362288937 428688776 /nfs/dbraw/zinc/68/87/76/428688776.db2.gz UCXQKMAAMYACHY-UHFFFAOYSA-N 1 2 308.316 2.994 20 30 DFEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)C#N)c2C1 ZINC000416208556 428690055 /nfs/dbraw/zinc/69/00/55/428690055.db2.gz YCVHKWFPSXKLNY-UHFFFAOYSA-N 1 2 322.412 2.502 20 30 DFEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)C#N)c2C1 ZINC000416208556 428690061 /nfs/dbraw/zinc/69/00/61/428690061.db2.gz YCVHKWFPSXKLNY-UHFFFAOYSA-N 1 2 322.412 2.502 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374520546 428693567 /nfs/dbraw/zinc/69/35/67/428693567.db2.gz NDFDVLVCDJHECW-OAHLLOKOSA-N 1 2 310.235 2.921 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374520546 428693573 /nfs/dbraw/zinc/69/35/73/428693573.db2.gz NDFDVLVCDJHECW-OAHLLOKOSA-N 1 2 310.235 2.921 20 30 DFEDLO C[C@@H]1CCC[C@@H](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000362481029 428764235 /nfs/dbraw/zinc/76/42/35/428764235.db2.gz VSINEWDNSMENSQ-MSOLQXFVSA-N 1 2 307.482 2.751 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374858765 428764905 /nfs/dbraw/zinc/76/49/05/428764905.db2.gz RNPNUGYYFRWTDP-CYBMUJFWSA-N 1 2 300.171 2.628 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374858765 428764911 /nfs/dbraw/zinc/76/49/11/428764911.db2.gz RNPNUGYYFRWTDP-CYBMUJFWSA-N 1 2 300.171 2.628 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345150599 428773034 /nfs/dbraw/zinc/77/30/34/428773034.db2.gz CDTCHKGDADBRCO-UHFFFAOYSA-N 1 2 320.308 2.869 20 30 DFEDLO N#CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411299187 428773723 /nfs/dbraw/zinc/77/37/23/428773723.db2.gz WKKSWJWBGIPMEX-UHFFFAOYSA-N 1 2 316.361 2.692 20 30 DFEDLO N#CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411299187 428773730 /nfs/dbraw/zinc/77/37/30/428773730.db2.gz WKKSWJWBGIPMEX-UHFFFAOYSA-N 1 2 316.361 2.692 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000359032341 428781329 /nfs/dbraw/zinc/78/13/29/428781329.db2.gz OXLFDMCXEUWHIX-AWEZNQCLSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000359032341 428781333 /nfs/dbraw/zinc/78/13/33/428781333.db2.gz OXLFDMCXEUWHIX-AWEZNQCLSA-N 1 2 322.474 2.762 20 30 DFEDLO Cn1nccc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000348407585 428735946 /nfs/dbraw/zinc/73/59/46/428735946.db2.gz PTNMQDYLFIVCNI-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO Cn1nccc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000348407585 428735951 /nfs/dbraw/zinc/73/59/51/428735951.db2.gz PTNMQDYLFIVCNI-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411137682 428745662 /nfs/dbraw/zinc/74/56/62/428745662.db2.gz VHQBKAGHMIHCKT-INIZCTEOSA-N 1 2 303.402 2.785 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411137682 428745666 /nfs/dbraw/zinc/74/56/66/428745666.db2.gz VHQBKAGHMIHCKT-INIZCTEOSA-N 1 2 303.402 2.785 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000362624065 428793601 /nfs/dbraw/zinc/79/36/01/428793601.db2.gz QVUBOKACTQFWDW-DOTOQJQBSA-N 1 2 317.433 2.525 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000362624066 428794269 /nfs/dbraw/zinc/79/42/69/428794269.db2.gz QVUBOKACTQFWDW-RDJZCZTQSA-N 1 2 317.433 2.525 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3cnccc3C#N)ccc2[nH+]1 ZINC000345194114 428794729 /nfs/dbraw/zinc/79/47/29/428794729.db2.gz JATKVMYEZFIECS-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348708652 428818606 /nfs/dbraw/zinc/81/86/06/428818606.db2.gz YSILFWLKMTZPAQ-QGZVFWFLSA-N 1 2 324.428 2.824 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348708652 428818611 /nfs/dbraw/zinc/81/86/11/428818611.db2.gz YSILFWLKMTZPAQ-QGZVFWFLSA-N 1 2 324.428 2.824 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000362957742 428821656 /nfs/dbraw/zinc/82/16/56/428821656.db2.gz KTFLKZLEQIPMRN-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411642943 428831147 /nfs/dbraw/zinc/83/11/47/428831147.db2.gz HUXATMBBHSFBJY-ZDUSSCGKSA-N 1 2 308.422 2.875 20 30 DFEDLO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411642943 428831149 /nfs/dbraw/zinc/83/11/49/428831149.db2.gz HUXATMBBHSFBJY-ZDUSSCGKSA-N 1 2 308.422 2.875 20 30 DFEDLO COC1(C(F)(F)F)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000418093687 428881162 /nfs/dbraw/zinc/88/11/62/428881162.db2.gz CFEWPSFQKGDWBN-UHFFFAOYSA-N 1 2 305.325 2.558 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354146810 428887425 /nfs/dbraw/zinc/88/74/25/428887425.db2.gz QDBGKGWOTLWJMS-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@H]1c1cccs1 ZINC000363285300 428896973 /nfs/dbraw/zinc/89/69/73/428896973.db2.gz ICZJVARAQRJCHI-ZDUSSCGKSA-N 1 2 323.487 2.600 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@H]1c1cccs1 ZINC000363285300 428896981 /nfs/dbraw/zinc/89/69/81/428896981.db2.gz ICZJVARAQRJCHI-ZDUSSCGKSA-N 1 2 323.487 2.600 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000412048707 428927986 /nfs/dbraw/zinc/92/79/86/428927986.db2.gz XFLCXWOUKRASEW-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000412048707 428927988 /nfs/dbraw/zinc/92/79/88/428927988.db2.gz XFLCXWOUKRASEW-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000412048707 428927991 /nfs/dbraw/zinc/92/79/91/428927991.db2.gz XFLCXWOUKRASEW-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000412048707 428927994 /nfs/dbraw/zinc/92/79/94/428927994.db2.gz XFLCXWOUKRASEW-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1cc(CNC(=O)NCc2ccc(C#N)s2)cc(C)[nH+]1 ZINC000420861416 428971637 /nfs/dbraw/zinc/97/16/37/428971637.db2.gz OJKYKXAWTFGXRW-UHFFFAOYSA-N 1 2 300.387 2.631 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000349292933 428956629 /nfs/dbraw/zinc/95/66/29/428956629.db2.gz XSQDIPICSJAMTG-CQSZACIVSA-N 1 2 313.336 2.704 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920795 429017907 /nfs/dbraw/zinc/01/79/07/429017907.db2.gz ONUSQUVCMSEYFF-IIYDPXPESA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920795 429017914 /nfs/dbraw/zinc/01/79/14/429017914.db2.gz ONUSQUVCMSEYFF-IIYDPXPESA-N 1 2 320.820 2.980 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354595676 428999351 /nfs/dbraw/zinc/99/93/51/428999351.db2.gz MZASTSFWNVFJKJ-OLZOCXBDSA-N 1 2 302.422 2.646 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354595676 428999358 /nfs/dbraw/zinc/99/93/58/428999358.db2.gz MZASTSFWNVFJKJ-OLZOCXBDSA-N 1 2 302.422 2.646 20 30 DFEDLO C=CCOCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000354697200 429004352 /nfs/dbraw/zinc/00/43/52/429004352.db2.gz CVICNGGDHAYYME-LBPRGKRZSA-N 1 2 309.435 2.516 20 30 DFEDLO C=CCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000354697200 429004358 /nfs/dbraw/zinc/00/43/58/429004358.db2.gz CVICNGGDHAYYME-LBPRGKRZSA-N 1 2 309.435 2.516 20 30 DFEDLO COC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108980 429058232 /nfs/dbraw/zinc/05/82/32/429058232.db2.gz VTAFKBOXBFZOAO-YOEHRIQHSA-N 1 2 316.401 2.521 20 30 DFEDLO COC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108980 429058236 /nfs/dbraw/zinc/05/82/36/429058236.db2.gz VTAFKBOXBFZOAO-YOEHRIQHSA-N 1 2 316.401 2.521 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000424073066 429087320 /nfs/dbraw/zinc/08/73/20/429087320.db2.gz ZRTREFSETLIBMA-AWEZNQCLSA-N 1 2 311.389 2.547 20 30 DFEDLO N#Cc1cccc(C2(C(=O)NCCCNc3cccc[nH+]3)CC2)c1 ZINC000435470072 429144468 /nfs/dbraw/zinc/14/44/68/429144468.db2.gz MVZQHIGNNODXFZ-UHFFFAOYSA-N 1 2 320.396 2.603 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000453148255 429148392 /nfs/dbraw/zinc/14/83/92/429148392.db2.gz JSTWKUHOFHALKL-CQSZACIVSA-N 1 2 305.303 2.988 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000453601176 429152156 /nfs/dbraw/zinc/15/21/56/429152156.db2.gz SUOYNROAILOQDH-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000453601176 429152161 /nfs/dbraw/zinc/15/21/61/429152161.db2.gz SUOYNROAILOQDH-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000434881211 429114827 /nfs/dbraw/zinc/11/48/27/429114827.db2.gz TXKVRFQWSNULCR-LJQANCHMSA-N 1 2 320.392 2.777 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000424292062 429120756 /nfs/dbraw/zinc/12/07/56/429120756.db2.gz FZOHKSFHHUXOEQ-OAHLLOKOSA-N 1 2 301.350 2.613 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCCn1cc[nH+]c1 ZINC000413041988 429126778 /nfs/dbraw/zinc/12/67/78/429126778.db2.gz XPKSLQIBHAKLSI-KRWDZBQOSA-N 1 2 312.417 2.760 20 30 DFEDLO Cc1nc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)ccc1C#N ZINC000488056060 429174661 /nfs/dbraw/zinc/17/46/61/429174661.db2.gz JWERBXMLEURXHJ-HNNXBMFYSA-N 1 2 316.355 3.255 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(N(C)C)[nH+]c3)c2c1 ZINC000487932516 429175044 /nfs/dbraw/zinc/17/50/44/429175044.db2.gz RERXIMXEEYSLOS-UHFFFAOYSA-N 1 2 317.396 2.910 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000488587525 429184974 /nfs/dbraw/zinc/18/49/74/429184974.db2.gz ZHZWKPDNSPVQEQ-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000455361746 429186935 /nfs/dbraw/zinc/18/69/35/429186935.db2.gz FIDKEYKTVMQBFI-UHFFFAOYSA-N 1 2 319.424 2.865 20 30 DFEDLO C=CCC1(CNC(=O)NCCNc2cccc[nH+]2)CCCC1 ZINC000455480955 429190547 /nfs/dbraw/zinc/19/05/47/429190547.db2.gz QTEZAPMKIZYDQI-UHFFFAOYSA-N 1 2 302.422 2.929 20 30 DFEDLO CCOc1ccc(/C=[NH+]/CC2CCN(C(=O)OC)CC2)c(O)c1 ZINC000495611892 429232864 /nfs/dbraw/zinc/23/28/64/429232864.db2.gz NNWYSOINCMLARM-LDADJPATSA-N 1 2 320.389 2.688 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364411363 429198790 /nfs/dbraw/zinc/19/87/90/429198790.db2.gz KSOVLQDMYPVJQN-KRWDZBQOSA-N 1 2 322.412 2.756 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000489409768 429238595 /nfs/dbraw/zinc/23/85/95/429238595.db2.gz YEECHRHVFBNTKD-GFCCVEGCSA-N 1 2 308.451 2.716 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000489409768 429238598 /nfs/dbraw/zinc/23/85/98/429238598.db2.gz YEECHRHVFBNTKD-GFCCVEGCSA-N 1 2 308.451 2.716 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CCOC)c1C ZINC000489449695 429242855 /nfs/dbraw/zinc/24/28/55/429242855.db2.gz OMLKMBHGLDYALF-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CCOC)c1C ZINC000489449695 429242859 /nfs/dbraw/zinc/24/28/59/429242859.db2.gz OMLKMBHGLDYALF-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)OCC ZINC000489459335 429245098 /nfs/dbraw/zinc/24/50/98/429245098.db2.gz SQUWWIGWAZEOMC-CQSZACIVSA-N 1 2 316.401 2.842 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)OCC ZINC000489459335 429245102 /nfs/dbraw/zinc/24/51/02/429245102.db2.gz SQUWWIGWAZEOMC-CQSZACIVSA-N 1 2 316.401 2.842 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000443073757 429245750 /nfs/dbraw/zinc/24/57/50/429245750.db2.gz WSKICXWWKJNFEK-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000443073757 429245752 /nfs/dbraw/zinc/24/57/52/429245752.db2.gz WSKICXWWKJNFEK-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO C[C@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000425237579 429249562 /nfs/dbraw/zinc/24/95/62/429249562.db2.gz LNMXLVOATQZLAQ-SWLSCSKDSA-N 1 2 311.345 2.750 20 30 DFEDLO Cc1cc(NCCOc2ccc(C(F)(F)F)cn2)c(C#N)c[nH+]1 ZINC000425236339 429249587 /nfs/dbraw/zinc/24/95/87/429249587.db2.gz JTVYDGOUUDVDEF-UHFFFAOYSA-N 1 2 322.290 2.588 20 30 DFEDLO Cc1cc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425251659 429251252 /nfs/dbraw/zinc/25/12/52/429251252.db2.gz FWYVOFDMBKOITK-JSGCOSHPSA-N 1 2 313.323 2.579 20 30 DFEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1c1ccccc1 ZINC000425259469 429252715 /nfs/dbraw/zinc/25/27/15/429252715.db2.gz MAVIGPWBIOTMCS-DLBZAZTESA-N 1 2 321.380 2.655 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1Cl ZINC000365434579 429319119 /nfs/dbraw/zinc/31/91/19/429319119.db2.gz WFRNCYPCCSKRJZ-AWEZNQCLSA-N 1 2 321.783 2.594 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1Cl ZINC000365434579 429319122 /nfs/dbraw/zinc/31/91/22/429319122.db2.gz WFRNCYPCCSKRJZ-AWEZNQCLSA-N 1 2 321.783 2.594 20 30 DFEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000448919170 429321716 /nfs/dbraw/zinc/32/17/16/429321716.db2.gz YMQNEXSSAOAKIJ-CVEARBPZSA-N 1 2 308.466 2.738 20 30 DFEDLO COc1nccnc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000449050415 429323479 /nfs/dbraw/zinc/32/34/79/429323479.db2.gz UMNRRDDLRODPIP-RDJZCZTQSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccnc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000449050415 429323480 /nfs/dbraw/zinc/32/34/80/429323480.db2.gz UMNRRDDLRODPIP-RDJZCZTQSA-N 1 2 308.385 2.757 20 30 DFEDLO C#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491095704 429324940 /nfs/dbraw/zinc/32/49/40/429324940.db2.gz MOARDUZMCGVITK-YVARQFDVSA-N 1 2 303.724 2.706 20 30 DFEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000495915908 429292891 /nfs/dbraw/zinc/29/28/91/429292891.db2.gz RPIFQWOYYCLWIW-CQSZACIVSA-N 1 2 321.808 2.874 20 30 DFEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000495915908 429292896 /nfs/dbraw/zinc/29/28/96/429292896.db2.gz RPIFQWOYYCLWIW-CQSZACIVSA-N 1 2 321.808 2.874 20 30 DFEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000445902767 429295323 /nfs/dbraw/zinc/29/53/23/429295323.db2.gz GMWICFLTJLMRLA-KRWDZBQOSA-N 1 2 304.821 2.682 20 30 DFEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000445902767 429295325 /nfs/dbraw/zinc/29/53/25/429295325.db2.gz GMWICFLTJLMRLA-KRWDZBQOSA-N 1 2 304.821 2.682 20 30 DFEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973763 429300417 /nfs/dbraw/zinc/30/04/17/429300417.db2.gz FQZDPAPYFJRYQG-HOTGVXAUSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973763 429300421 /nfs/dbraw/zinc/30/04/21/429300421.db2.gz FQZDPAPYFJRYQG-HOTGVXAUSA-N 1 2 312.373 2.520 20 30 DFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C(F)F)no1 ZINC000425457174 429300649 /nfs/dbraw/zinc/30/06/49/429300649.db2.gz JKVHNAOLGQEJPB-UHFFFAOYSA-N 1 2 322.315 2.527 20 30 DFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C(F)F)no1 ZINC000425457174 429300654 /nfs/dbraw/zinc/30/06/54/429300654.db2.gz JKVHNAOLGQEJPB-UHFFFAOYSA-N 1 2 322.315 2.527 20 30 DFEDLO N#CCNC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447391644 429303963 /nfs/dbraw/zinc/30/39/63/429303963.db2.gz KPFNIDACSWRLHB-UHFFFAOYSA-N 1 2 312.200 2.602 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC2(CCOCC2)O1 ZINC000447821698 429307701 /nfs/dbraw/zinc/30/77/01/429307701.db2.gz MZSNQRFOGHOSOH-OAHLLOKOSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC2(CCOCC2)O1 ZINC000447821698 429307706 /nfs/dbraw/zinc/30/77/06/429307706.db2.gz MZSNQRFOGHOSOH-OAHLLOKOSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC2(CCOCC2)O1 ZINC000447820559 429308047 /nfs/dbraw/zinc/30/80/47/429308047.db2.gz GLIXSAVSXAVJKI-CYBMUJFWSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC2(CCOCC2)O1 ZINC000447820559 429308050 /nfs/dbraw/zinc/30/80/50/429308050.db2.gz GLIXSAVSXAVJKI-CYBMUJFWSA-N 1 2 320.820 2.982 20 30 DFEDLO C#CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000490830987 429308194 /nfs/dbraw/zinc/30/81/94/429308194.db2.gz OKAAGMDLEVITKV-UHFFFAOYSA-N 1 2 322.412 2.960 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)s1 ZINC000425491828 429308670 /nfs/dbraw/zinc/30/86/70/429308670.db2.gz RDXQYMSQSXZXNB-VIFPVBQESA-N 1 2 319.361 2.791 20 30 DFEDLO Cc1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496176610 429311997 /nfs/dbraw/zinc/31/19/97/429311997.db2.gz UGWYSIZNWZDILU-CQSZACIVSA-N 1 2 316.405 2.707 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(C#N)n1 ZINC000365406951 429313553 /nfs/dbraw/zinc/31/35/53/429313553.db2.gz UMQUJVCAHHTVOT-UHFFFAOYSA-N 1 2 301.781 2.776 20 30 DFEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000491698620 429392903 /nfs/dbraw/zinc/39/29/03/429392903.db2.gz IACWOBPKMIOOBC-INIZCTEOSA-N 1 2 314.433 2.529 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491726251 429396884 /nfs/dbraw/zinc/39/68/84/429396884.db2.gz CWBVJYOLIARUIM-VQIMIIECSA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491726251 429396888 /nfs/dbraw/zinc/39/68/88/429396888.db2.gz CWBVJYOLIARUIM-VQIMIIECSA-N 1 2 311.429 2.565 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000491740996 429400859 /nfs/dbraw/zinc/40/08/59/429400859.db2.gz FHIRDWSGHIWBRR-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000491740996 429400861 /nfs/dbraw/zinc/40/08/61/429400861.db2.gz FHIRDWSGHIWBRR-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO C#CCN(C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000491744296 429401057 /nfs/dbraw/zinc/40/10/57/429401057.db2.gz YUZBYBFWZFBJER-HIFRSBDPSA-N 1 2 300.406 2.866 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000491765618 429404706 /nfs/dbraw/zinc/40/47/06/429404706.db2.gz FUFMZKXNNPKFFD-GOSISDBHSA-N 1 2 308.381 2.940 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000491765618 429404711 /nfs/dbraw/zinc/40/47/11/429404711.db2.gz FUFMZKXNNPKFFD-GOSISDBHSA-N 1 2 308.381 2.940 20 30 DFEDLO CC1(C#N)CCC(Nc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000449225540 429361125 /nfs/dbraw/zinc/36/11/25/429361125.db2.gz UIQRGRVMNCFUSZ-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000491617102 429378412 /nfs/dbraw/zinc/37/84/12/429378412.db2.gz BJKIEPQKJWPDON-CYBMUJFWSA-N 1 2 303.793 2.540 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000491617102 429378415 /nfs/dbraw/zinc/37/84/15/429378415.db2.gz BJKIEPQKJWPDON-CYBMUJFWSA-N 1 2 303.793 2.540 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000491635507 429381627 /nfs/dbraw/zinc/38/16/27/429381627.db2.gz VJSSJKBRTGTITP-LLVKDONJSA-N 1 2 302.399 2.978 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000491635507 429381632 /nfs/dbraw/zinc/38/16/32/429381632.db2.gz VJSSJKBRTGTITP-LLVKDONJSA-N 1 2 302.399 2.978 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)CC#N)cc1OCC ZINC000519420529 429457879 /nfs/dbraw/zinc/45/78/79/429457879.db2.gz IGWIPVCVTMYVSH-ZDUSSCGKSA-N 1 2 319.405 2.704 20 30 DFEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491812921 429413249 /nfs/dbraw/zinc/41/32/49/429413249.db2.gz PIAUCVUNFUVZFA-IBGZPJMESA-N 1 2 320.392 2.773 20 30 DFEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491812921 429413254 /nfs/dbraw/zinc/41/32/54/429413254.db2.gz PIAUCVUNFUVZFA-IBGZPJMESA-N 1 2 320.392 2.773 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000491810642 429413943 /nfs/dbraw/zinc/41/39/43/429413943.db2.gz ABKLQGZXYQUGMX-SECBINFHSA-N 1 2 316.735 2.833 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000491810642 429413947 /nfs/dbraw/zinc/41/39/47/429413947.db2.gz ABKLQGZXYQUGMX-SECBINFHSA-N 1 2 316.735 2.833 20 30 DFEDLO CC[N@H+](CC(=O)N[C@]1(C#N)CC1(C)C)Cc1ccccc1Cl ZINC000427898580 429477321 /nfs/dbraw/zinc/47/73/21/429477321.db2.gz UBUNKBYFFZVJHL-KRWDZBQOSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@]1(C#N)CC1(C)C)Cc1ccccc1Cl ZINC000427898580 429477327 /nfs/dbraw/zinc/47/73/27/429477327.db2.gz UBUNKBYFFZVJHL-KRWDZBQOSA-N 1 2 319.836 2.970 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000519698733 429479001 /nfs/dbraw/zinc/47/90/01/429479001.db2.gz BDVSVJHSSSDTDO-MNOVXSKESA-N 1 2 303.328 2.927 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]1 ZINC000457647297 429500819 /nfs/dbraw/zinc/50/08/19/429500819.db2.gz ICUBMKDZTNSMHS-UHFFFAOYSA-N 1 2 317.437 2.619 20 30 DFEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428250599 429503451 /nfs/dbraw/zinc/50/34/51/429503451.db2.gz WVOIPVXUTAWTDZ-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428250599 429503457 /nfs/dbraw/zinc/50/34/57/429503457.db2.gz WVOIPVXUTAWTDZ-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000428313707 429509810 /nfs/dbraw/zinc/50/98/10/429509810.db2.gz XUKMWTWJIKNBGT-UHFFFAOYSA-N 1 2 305.397 2.728 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000492537985 429560776 /nfs/dbraw/zinc/56/07/76/429560776.db2.gz RSDGXKZEUMJMHT-HSBSLETESA-N 1 2 314.776 2.951 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000428938973 429561611 /nfs/dbraw/zinc/56/16/11/429561611.db2.gz KRGLNINIUMPPDE-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000428938973 429561614 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429682347 /nfs/dbraw/zinc/68/23/47/429682347.db2.gz OPVMDEUWKQXTOD-UHFFFAOYSA-N 1 2 301.390 2.531 20 30 DFEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000459431344 429697526 /nfs/dbraw/zinc/69/75/26/429697526.db2.gz KIPPPQUUMAPNJK-HZPDHXFCSA-N 1 2 315.373 2.998 20 30 DFEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000459431344 429697529 /nfs/dbraw/zinc/69/75/29/429697529.db2.gz KIPPPQUUMAPNJK-HZPDHXFCSA-N 1 2 315.373 2.998 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507570 429722997 /nfs/dbraw/zinc/72/29/97/429722997.db2.gz MDGORRMRFYXVNM-CJNGLKHVSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507570 429723000 /nfs/dbraw/zinc/72/30/00/429723000.db2.gz MDGORRMRFYXVNM-CJNGLKHVSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cn1C ZINC000367824785 429723951 /nfs/dbraw/zinc/72/39/51/429723951.db2.gz RUTBSYYCCINBOO-SJORKVTESA-N 1 2 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GFMTYQUHHSFEEZ-UHFFFAOYSA-N 1 2 318.808 2.594 20 30 DFEDLO Cn1ncc(Cl)c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000558422918 429971600 /nfs/dbraw/zinc/97/16/00/429971600.db2.gz GFMTYQUHHSFEEZ-UHFFFAOYSA-N 1 2 318.808 2.594 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000369366194 429932166 /nfs/dbraw/zinc/93/21/66/429932166.db2.gz LECLYUOTDYUUJC-KBOKABMXSA-N 1 2 320.396 2.711 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940444 430030208 /nfs/dbraw/zinc/03/02/08/430030208.db2.gz CVXGPVGYDQYLDN-ZIAGYGMSSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940444 430030212 /nfs/dbraw/zinc/03/02/12/430030212.db2.gz CVXGPVGYDQYLDN-ZIAGYGMSSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1=O ZINC000639909646 430018501 /nfs/dbraw/zinc/01/85/01/430018501.db2.gz KDFNAUIMXQDIBJ-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1=O ZINC000639909646 430018506 /nfs/dbraw/zinc/01/85/06/430018506.db2.gz KDFNAUIMXQDIBJ-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)C2 ZINC000530289133 430110736 /nfs/dbraw/zinc/11/07/36/430110736.db2.gz RTRXFFHDXIPTLH-OLZOCXBDSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C[C@H](C)C#N)C1CC1)CC2 ZINC000530289133 430110737 /nfs/dbraw/zinc/11/07/37/430110737.db2.gz RTRXFFHDXIPTLH-OLZOCXBDSA-N 1 2 314.433 2.789 20 30 DFEDLO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N ZINC000640029484 430060317 /nfs/dbraw/zinc/06/03/17/430060317.db2.gz HEMZBRXERPJXJG-GJZGRUSLSA-N 1 2 314.385 2.655 20 30 DFEDLO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N ZINC000640029484 430060320 /nfs/dbraw/zinc/06/03/20/430060320.db2.gz HEMZBRXERPJXJG-GJZGRUSLSA-N 1 2 314.385 2.655 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000577387104 430113374 /nfs/dbraw/zinc/11/33/74/430113374.db2.gz YWRKZCWETLYAFX-QAPCUYQASA-N 1 2 315.417 2.544 20 30 DFEDLO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577454778 430114180 /nfs/dbraw/zinc/11/41/80/430114180.db2.gz VDRDNABPDSCYBX-INIZCTEOSA-N 1 2 319.792 2.968 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535798149 430168618 /nfs/dbraw/zinc/16/86/18/430168618.db2.gz QJLIMLVKYJDUHI-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535798149 430168622 /nfs/dbraw/zinc/16/86/22/430168622.db2.gz QJLIMLVKYJDUHI-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO N#C[C@@H](NC(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000536686970 430171037 /nfs/dbraw/zinc/17/10/37/430171037.db2.gz PHQSYBMSSCQLQK-OAHLLOKOSA-N 1 2 308.385 2.722 20 30 DFEDLO CCN1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480868 430117848 /nfs/dbraw/zinc/11/78/48/430117848.db2.gz RFPDXZNPXHXBNZ-OAHLLOKOSA-N 1 2 315.808 2.818 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577960839 430119039 /nfs/dbraw/zinc/11/90/39/430119039.db2.gz AMRUBICEOUWASE-OCCSQVGLSA-N 1 2 311.389 2.686 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000530643727 430121498 /nfs/dbraw/zinc/12/14/98/430121498.db2.gz BUUAYAVMOXDSDB-HNNXBMFYSA-N 1 2 321.490 2.509 20 30 DFEDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000530816298 430125861 /nfs/dbraw/zinc/12/58/61/430125861.db2.gz UYTWKCIOGPZZRN-UHFFFAOYSA-N 1 2 315.376 2.782 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(CCC#N)CC1 ZINC000580433713 430131944 /nfs/dbraw/zinc/13/19/44/430131944.db2.gz UPCAJGPGDLEPRO-UHFFFAOYSA-N 1 2 310.401 2.887 20 30 DFEDLO CC[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(OC)cc1 ZINC000565051779 430202436 /nfs/dbraw/zinc/20/24/36/430202436.db2.gz RAUGIEYCUJDRCI-RDTXWAMCSA-N 1 2 317.433 2.539 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000565179462 430203713 /nfs/dbraw/zinc/20/37/13/430203713.db2.gz ICGWXRTXKGSIQG-QMTHXVAHSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000565179462 430203717 /nfs/dbraw/zinc/20/37/17/430203717.db2.gz ICGWXRTXKGSIQG-QMTHXVAHSA-N 1 2 302.765 2.623 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000565602468 430221701 /nfs/dbraw/zinc/22/17/01/430221701.db2.gz CCGUKEXBCLTXRE-HXUWFJFHSA-N 1 2 319.408 2.831 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)o2)cc1 ZINC000565467531 430213031 /nfs/dbraw/zinc/21/30/31/430213031.db2.gz UUGVSDLDEFPJDU-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@@H](C4CCC4)C3)o2)cc1 ZINC000565467531 430213036 /nfs/dbraw/zinc/21/30/36/430213036.db2.gz UUGVSDLDEFPJDU-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000566174311 430247956 /nfs/dbraw/zinc/24/79/56/430247956.db2.gz XKRMNOVHWXBSTA-UHFFFAOYSA-N 1 2 306.431 2.606 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635394340 430265733 /nfs/dbraw/zinc/26/57/33/430265733.db2.gz BQQYPZYPUJPNAE-HZPDHXFCSA-N 1 2 311.385 2.737 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635394340 430265738 /nfs/dbraw/zinc/26/57/38/430265738.db2.gz BQQYPZYPUJPNAE-HZPDHXFCSA-N 1 2 311.385 2.737 20 30 DFEDLO CC(C)(C)C1CCC(C#N)(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000567289630 430283066 /nfs/dbraw/zinc/28/30/66/430283066.db2.gz NQFIBBSXLLJSMZ-UHFFFAOYSA-N 1 2 305.466 2.943 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)nn1 ZINC000567662858 430285917 /nfs/dbraw/zinc/28/59/17/430285917.db2.gz YILOPIIBYBHWOV-GOSISDBHSA-N 1 2 324.428 2.956 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCOc2ccc3ccccc3c2)nn1 ZINC000640951883 430289092 /nfs/dbraw/zinc/28/90/92/430289092.db2.gz WERRWUVLVWUVSN-UHFFFAOYSA-N 1 2 320.396 2.623 20 30 DFEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000544675265 430290510 /nfs/dbraw/zinc/29/05/10/430290510.db2.gz GZFNDLQZGQIPAT-LBPRGKRZSA-N 1 2 314.776 2.716 20 30 DFEDLO C=CCCCN(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635585784 430315386 /nfs/dbraw/zinc/31/53/86/430315386.db2.gz YLEHVEMGZDWDCH-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCCCN(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635585784 430315389 /nfs/dbraw/zinc/31/53/89/430315389.db2.gz YLEHVEMGZDWDCH-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCc2cc(Cl)cc(Cl)c2)nn1 ZINC000641141446 430342015 /nfs/dbraw/zinc/34/20/15/430342015.db2.gz LQEQKUKVQXTYLV-UHFFFAOYSA-N 1 2 323.227 2.941 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507419 430364322 /nfs/dbraw/zinc/36/43/22/430364322.db2.gz XEXIDBDPIQQUHH-UONOGXRCSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507419 430364326 /nfs/dbraw/zinc/36/43/26/430364326.db2.gz XEXIDBDPIQQUHH-UONOGXRCSA-N 1 2 313.401 2.529 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccc(Cl)cc1 ZINC000568638060 430377323 /nfs/dbraw/zinc/37/73/23/430377323.db2.gz KTBQMMIAEWGPCZ-MRXNPFEDSA-N 1 2 307.825 2.623 20 30 DFEDLO C=CCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000641834860 430485808 /nfs/dbraw/zinc/48/58/08/430485808.db2.gz DIPWCCAAVIMKJV-CQSZACIVSA-N 1 2 302.353 2.856 20 30 DFEDLO N#Cc1nc(NCc2ccc(N3CCCC3)[nH+]c2)sc1Cl ZINC000590570862 430487053 /nfs/dbraw/zinc/48/70/53/430487053.db2.gz GQIOQGCQKDVMAF-UHFFFAOYSA-N 1 2 319.821 3.275 20 30 DFEDLO Cc1ccn2cc(CNc3nc(C#N)c(Cl)s3)[nH+]c2c1 ZINC000590574407 430487490 /nfs/dbraw/zinc/48/74/90/430487490.db2.gz VSVSMRHMRBRDQX-UHFFFAOYSA-N 1 2 303.778 3.236 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1ncc2c(c1C#N)CCC2 ZINC000591817552 430490984 /nfs/dbraw/zinc/49/09/84/430490984.db2.gz YOXJFSLYPDSPLI-UHFFFAOYSA-N 1 2 317.396 3.212 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636251352 430494424 /nfs/dbraw/zinc/49/44/24/430494424.db2.gz FNGIYBBVIPIASH-NEPJUHHUSA-N 1 2 301.312 2.801 20 30 DFEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636249220 430495201 /nfs/dbraw/zinc/49/52/01/430495201.db2.gz BVCJRXPUVHNFJH-KRWDZBQOSA-N 1 2 316.445 2.988 20 30 DFEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636249220 430495205 /nfs/dbraw/zinc/49/52/05/430495205.db2.gz BVCJRXPUVHNFJH-KRWDZBQOSA-N 1 2 316.445 2.988 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000569989922 430503626 /nfs/dbraw/zinc/50/36/26/430503626.db2.gz IGPLKTWWIJBCEY-IEBWSBKVSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000569989922 430503628 /nfs/dbraw/zinc/50/36/28/430503628.db2.gz IGPLKTWWIJBCEY-IEBWSBKVSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCC3)c2)sc1Cl ZINC000596068008 430505245 /nfs/dbraw/zinc/50/52/45/430505245.db2.gz TYVJPBGVWXTNMD-UHFFFAOYSA-N 1 2 319.821 3.275 20 30 DFEDLO N#Cc1nc(NCC[NH+]2Cc3ccccc3C2)sc1Cl ZINC000596096794 430507249 /nfs/dbraw/zinc/50/72/49/430507249.db2.gz AYILLBLAXQCIJA-UHFFFAOYSA-N 1 2 304.806 3.096 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1C#N ZINC000549988221 430535343 /nfs/dbraw/zinc/53/53/43/430535343.db2.gz RUTZSZCLHLGCQM-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(OC)c2)c1C#N ZINC000549988221 430535346 /nfs/dbraw/zinc/53/53/46/430535346.db2.gz RUTZSZCLHLGCQM-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO Cc1cc(NCCNc2cccc(F)c2C#N)nc(C(C)C)[nH+]1 ZINC000603862306 430550152 /nfs/dbraw/zinc/55/01/52/430550152.db2.gz OZBOHGGYUQYVPO-UHFFFAOYSA-N 1 2 313.380 3.443 20 30 DFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C#N)cs1 ZINC000555100454 430659441 /nfs/dbraw/zinc/65/94/41/430659441.db2.gz YQLMXPYBPJLJLT-KGLIPLIRSA-N 1 2 311.414 2.569 20 30 DFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C#N)cs1 ZINC000555100454 430659443 /nfs/dbraw/zinc/65/94/43/430659443.db2.gz YQLMXPYBPJLJLT-KGLIPLIRSA-N 1 2 311.414 2.569 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000553271056 430612657 /nfs/dbraw/zinc/61/26/57/430612657.db2.gz BNFFLKAMOWXVSF-MRXNPFEDSA-N 1 2 320.396 2.856 20 30 DFEDLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000572637227 430693046 /nfs/dbraw/zinc/69/30/46/430693046.db2.gz WGJHPSQDHVNEJF-UHFFFAOYSA-N 1 2 313.401 2.843 20 30 DFEDLO C=CCOc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651169487 430725248 /nfs/dbraw/zinc/72/52/48/430725248.db2.gz GJBJSPXHCLCFEZ-UHFFFAOYSA-N 1 2 311.385 2.965 20 30 DFEDLO C=CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661569279 430759985 /nfs/dbraw/zinc/75/99/85/430759985.db2.gz KMBXRQHOSGYGRQ-UHFFFAOYSA-N 1 2 302.422 2.685 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000661570315 430762377 /nfs/dbraw/zinc/76/23/77/430762377.db2.gz DGWFTJZLTPKRCI-UHFFFAOYSA-N 1 2 307.463 2.714 20 30 DFEDLO C=CCOCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000651322023 430763940 /nfs/dbraw/zinc/76/39/40/430763940.db2.gz XYJIUTQLVDUQKS-OAHLLOKOSA-N 1 2 305.809 2.955 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000644800870 430828638 /nfs/dbraw/zinc/82/86/38/430828638.db2.gz IBCLLAHWJZFBCS-CQSZACIVSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000644800870 430828641 /nfs/dbraw/zinc/82/86/41/430828641.db2.gz IBCLLAHWJZFBCS-CQSZACIVSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000644680869 430789135 /nfs/dbraw/zinc/78/91/35/430789135.db2.gz CAHFCCVYAXOZSB-AWEZNQCLSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000644680869 430789141 /nfs/dbraw/zinc/78/91/41/430789141.db2.gz CAHFCCVYAXOZSB-AWEZNQCLSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226835 431033926 /nfs/dbraw/zinc/03/39/26/431033926.db2.gz SBDPYWQKRQMPGQ-IRXDYDNUSA-N 1 2 309.413 2.749 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226833 431034199 /nfs/dbraw/zinc/03/41/99/431034199.db2.gz SBDPYWQKRQMPGQ-DLBZAZTESA-N 1 2 309.413 2.749 20 30 DFEDLO C=CCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000665946804 431073130 /nfs/dbraw/zinc/07/31/30/431073130.db2.gz XNYKDLVLHCCPHO-CQSZACIVSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000665946804 431073135 /nfs/dbraw/zinc/07/31/35/431073135.db2.gz XNYKDLVLHCCPHO-CQSZACIVSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000660341602 431387751 /nfs/dbraw/zinc/38/77/51/431387751.db2.gz ZLZLCVRFSSWYHH-CQSZACIVSA-N 1 2 302.422 2.645 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCCOc2ccc(Cl)cc2)nn1 ZINC000656449100 431387733 /nfs/dbraw/zinc/38/77/33/431387733.db2.gz YUOYSYCZKSGRSA-UHFFFAOYSA-N 1 2 318.808 2.514 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)nc(C)n1 ZINC000660538320 431480351 /nfs/dbraw/zinc/48/03/51/431480351.db2.gz OOYIUKICJYTIKH-UHFFFAOYSA-N 1 2 301.390 2.757 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)nc(C)n1 ZINC000660538320 431480353 /nfs/dbraw/zinc/48/03/53/431480353.db2.gz OOYIUKICJYTIKH-UHFFFAOYSA-N 1 2 301.390 2.757 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)nn1 ZINC000653581701 431444738 /nfs/dbraw/zinc/44/47/38/431444738.db2.gz FDDWTFDMPFVONJ-GOSISDBHSA-N 1 2 322.416 2.582 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)nn1 ZINC000657359110 431699210 /nfs/dbraw/zinc/69/92/10/431699210.db2.gz PIVQFDNKRWFLMT-HNNXBMFYSA-N 1 2 302.353 2.607 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043669 431710373 /nfs/dbraw/zinc/71/03/73/431710373.db2.gz CUTWZBFWMZFRGE-ILXRZTDVSA-N 1 2 302.422 2.632 20 30 DFEDLO C=CCOCCCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000664388440 431757573 /nfs/dbraw/zinc/75/75/73/431757573.db2.gz OAJIYKCMYJAIDH-UHFFFAOYSA-N 1 2 304.365 2.947 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567507 431813007 /nfs/dbraw/zinc/81/30/07/431813007.db2.gz RUBFPFDQMUHJEG-JSGCOSHPSA-N 1 2 314.389 2.647 20 30 DFEDLO C=CCCC1(CNC(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000661303518 431815516 /nfs/dbraw/zinc/81/55/16/431815516.db2.gz NEMSPFNWPBEVRS-UHFFFAOYSA-N 1 2 304.438 2.788 20 30 DFEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000661380413 431838708 /nfs/dbraw/zinc/83/87/08/431838708.db2.gz GSZSIAVHCFYTSS-GFCCVEGCSA-N 1 2 308.451 2.888 20 30 DFEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000661380413 431838711 /nfs/dbraw/zinc/83/87/11/431838711.db2.gz GSZSIAVHCFYTSS-GFCCVEGCSA-N 1 2 308.451 2.888 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(Cl)c1 ZINC000162857555 295417932 /nfs/dbraw/zinc/41/79/32/295417932.db2.gz DWQFFOSDVLHRFY-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000539314994 301340118 /nfs/dbraw/zinc/34/01/18/301340118.db2.gz RMZRSDPCRBTGMR-GOSISDBHSA-N 1 2 324.380 2.822 20 30 DFEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2cccc(C#N)c2)c1 ZINC000549688164 301639276 /nfs/dbraw/zinc/63/92/76/301639276.db2.gz OHKLDKAUBLKNDY-UHFFFAOYSA-N 1 2 317.352 2.832 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000552238344 301687088 /nfs/dbraw/zinc/68/70/88/301687088.db2.gz CEUISPMIPDXHSJ-ZDUSSCGKSA-N 1 2 321.384 2.914 20 30 DFEDLO Cc1cc(C#N)nc(N[C@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000557484119 301832823 /nfs/dbraw/zinc/83/28/23/301832823.db2.gz DXJIUXZQHVBPNR-HNNXBMFYSA-N 1 2 304.357 2.592 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000563285581 302058789 /nfs/dbraw/zinc/05/87/89/302058789.db2.gz NQKXQRPNDMDOIS-MSQAHXEGSA-N 1 2 306.369 2.680 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000566001469 302252412 /nfs/dbraw/zinc/25/24/12/302252412.db2.gz DEBVSBSEFUSJPP-CQSZACIVSA-N 1 2 314.776 2.826 20 30 DFEDLO C[C@@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000568000960 302408628 /nfs/dbraw/zinc/40/86/28/302408628.db2.gz GQNQLWVYTHIPFH-SUMWQHHRSA-N 1 2 308.385 2.900 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1nc(C#N)cs1 ZINC000568455379 302450072 /nfs/dbraw/zinc/45/00/72/302450072.db2.gz IMPASYRQNUVWQL-CYBMUJFWSA-N 1 2 301.419 2.958 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1cc(C#N)ccn1)CCCC2 ZINC000283714646 302900393 /nfs/dbraw/zinc/90/03/93/302900393.db2.gz FIYPBWCMCVISSX-MRXNPFEDSA-N 1 2 307.401 2.907 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1Cl ZINC000365434580 303175531 /nfs/dbraw/zinc/17/55/31/303175531.db2.gz WFRNCYPCCSKRJZ-CQSZACIVSA-N 1 2 321.783 2.594 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1Cl ZINC000365434580 303175534 /nfs/dbraw/zinc/17/55/34/303175534.db2.gz WFRNCYPCCSKRJZ-CQSZACIVSA-N 1 2 321.783 2.594 20 30 DFEDLO CC(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000180037690 316024770 /nfs/dbraw/zinc/02/47/70/316024770.db2.gz DWTBGHQUEAHMFD-MRXNPFEDSA-N 1 2 318.417 2.893 20 30 DFEDLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000579361301 318325727 /nfs/dbraw/zinc/32/57/27/318325727.db2.gz WWGDGCKCGGNCIC-ZDUSSCGKSA-N 1 2 311.389 2.719 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOCC34CCCCC4)n2c1 ZINC000579554199 318337592 /nfs/dbraw/zinc/33/75/92/318337592.db2.gz CXUPZRANLTYKJW-UHFFFAOYSA-N 1 2 310.401 2.741 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOCC34CCCCC4)n2c1 ZINC000579554199 318337595 /nfs/dbraw/zinc/33/75/95/318337595.db2.gz CXUPZRANLTYKJW-UHFFFAOYSA-N 1 2 310.401 2.741 20 30 DFEDLO N#Cc1nccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000579898874 318360621 /nfs/dbraw/zinc/36/06/21/318360621.db2.gz ZBXGNERORBYZDS-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194540020 323270185 /nfs/dbraw/zinc/27/01/85/323270185.db2.gz XFPCUMMQRASAKR-UHFFFAOYSA-N 1 2 323.400 2.501 20 30 DFEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194540020 323270190 /nfs/dbraw/zinc/27/01/90/323270190.db2.gz XFPCUMMQRASAKR-UHFFFAOYSA-N 1 2 323.400 2.501 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000581584481 323543220 /nfs/dbraw/zinc/54/32/20/323543220.db2.gz TZLDPTBKIRKERY-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO COc1cc(OC)c(C[N@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000093091491 332133927 /nfs/dbraw/zinc/13/39/27/332133927.db2.gz NITJOQWFYPVJSL-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(OC)c(C[N@@H+](CCC#N)CC2CC2)c(OC)c1 ZINC000093091491 332133928 /nfs/dbraw/zinc/13/39/28/332133928.db2.gz NITJOQWFYPVJSL-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO Cc1cccnc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000093193695 332135376 /nfs/dbraw/zinc/13/53/76/332135376.db2.gz ZCZTZVYPDDABJF-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000103467659 332239317 /nfs/dbraw/zinc/23/93/17/332239317.db2.gz FYZLMHQCUMMSHZ-CYBMUJFWSA-N 1 2 321.421 2.510 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151805393 332243371 /nfs/dbraw/zinc/24/33/71/332243371.db2.gz CAPGCIJVOSHGHN-HNNXBMFYSA-N 1 2 308.385 2.701 20 30 DFEDLO N#CCSCc1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349856998 332298453 /nfs/dbraw/zinc/29/84/53/332298453.db2.gz XEYSXQBOOZRSAM-ZDUSSCGKSA-N 1 2 322.434 2.532 20 30 DFEDLO N#CCSCc1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349856998 332298455 /nfs/dbraw/zinc/29/84/55/332298455.db2.gz XEYSXQBOOZRSAM-ZDUSSCGKSA-N 1 2 322.434 2.532 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111209652 332302133 /nfs/dbraw/zinc/30/21/33/332302133.db2.gz VKFGLHBTMIBOEJ-OAHLLOKOSA-N 1 2 303.793 2.681 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121144036 332392865 /nfs/dbraw/zinc/39/28/65/332392865.db2.gz PDQXQYBWXTYZPJ-AWEZNQCLSA-N 1 2 304.390 2.883 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121144036 332392867 /nfs/dbraw/zinc/39/28/67/332392867.db2.gz PDQXQYBWXTYZPJ-AWEZNQCLSA-N 1 2 304.390 2.883 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408274075 332426658 /nfs/dbraw/zinc/42/66/58/332426658.db2.gz VVFIZNGHIVEASN-CYBMUJFWSA-N 1 2 302.426 2.865 20 30 DFEDLO CC#CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000158912353 332594022 /nfs/dbraw/zinc/59/40/22/332594022.db2.gz RGUDARRNDRBQEY-UHFFFAOYSA-N 1 2 311.212 2.775 20 30 DFEDLO C=CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCC1 ZINC000562948516 332650630 /nfs/dbraw/zinc/65/06/30/332650630.db2.gz VBZIOMIYXNDJRG-UHFFFAOYSA-N 1 2 311.389 2.529 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000293808437 335117363 /nfs/dbraw/zinc/11/73/63/335117363.db2.gz DUQPSODOXACGKY-HNNXBMFYSA-N 1 2 308.372 2.583 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000293808437 335117365 /nfs/dbraw/zinc/11/73/65/335117365.db2.gz DUQPSODOXACGKY-HNNXBMFYSA-N 1 2 308.372 2.583 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC#N)C1CCCC1 ZINC000172455794 333063212 /nfs/dbraw/zinc/06/32/12/333063212.db2.gz SFQNZSYRJZZJOM-UHFFFAOYSA-N 1 2 310.401 2.893 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294264926 335120354 /nfs/dbraw/zinc/12/03/54/335120354.db2.gz SHCZZNPKUMLMNH-ZBFHGGJFSA-N 1 2 313.401 2.939 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294264911 335120367 /nfs/dbraw/zinc/12/03/67/335120367.db2.gz SHCZZNPKUMLMNH-GDBMZVCRSA-N 1 2 313.401 2.939 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000526056636 333096046 /nfs/dbraw/zinc/09/60/46/333096046.db2.gz AOVQFFJYOZLVAC-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000526056636 333096047 /nfs/dbraw/zinc/09/60/47/333096047.db2.gz AOVQFFJYOZLVAC-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO N#CCCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cccnc1 ZINC000177193125 333125609 /nfs/dbraw/zinc/12/56/09/333125609.db2.gz DFYBIGJDRWVOGF-UHFFFAOYSA-N 1 2 323.322 2.756 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCOCC2CC2)c1C ZINC000088601322 333127770 /nfs/dbraw/zinc/12/77/70/333127770.db2.gz SMOMDGGFMQNGOM-UHFFFAOYSA-N 1 2 304.434 2.832 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCC2CC2)c1C ZINC000088601322 333127771 /nfs/dbraw/zinc/12/77/71/333127771.db2.gz SMOMDGGFMQNGOM-UHFFFAOYSA-N 1 2 304.434 2.832 20 30 DFEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)cs1 ZINC000177612713 333130555 /nfs/dbraw/zinc/13/05/55/333130555.db2.gz WLUCNFFGGKOHQJ-GHMZBOCLSA-N 1 2 315.439 2.700 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063501 333165702 /nfs/dbraw/zinc/16/57/02/333165702.db2.gz DRBBLGPOZKIGSP-LLVKDONJSA-N 1 2 311.788 2.671 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063501 333165703 /nfs/dbraw/zinc/16/57/03/333165703.db2.gz DRBBLGPOZKIGSP-LLVKDONJSA-N 1 2 311.788 2.671 20 30 DFEDLO CC[C@H](CC#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000183909825 333189329 /nfs/dbraw/zinc/18/93/29/333189329.db2.gz NZIHZZIPCMKZIG-CVEARBPZSA-N 1 2 317.458 2.585 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000184095619 333192058 /nfs/dbraw/zinc/19/20/58/333192058.db2.gz ZIPQISCMKJCUEU-CQSZACIVSA-N 1 2 320.462 2.830 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000294789898 335127393 /nfs/dbraw/zinc/12/73/93/335127393.db2.gz BEKJIQNXXRFOQR-LBPRGKRZSA-N 1 2 313.401 2.848 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000363902942 333197167 /nfs/dbraw/zinc/19/71/67/333197167.db2.gz LKXDINIQIFKECX-AWEZNQCLSA-N 1 2 301.390 2.678 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000363902942 333197168 /nfs/dbraw/zinc/19/71/68/333197168.db2.gz LKXDINIQIFKECX-AWEZNQCLSA-N 1 2 301.390 2.678 20 30 DFEDLO Cn1cc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccc(F)cc2)cn1 ZINC000185421337 333208707 /nfs/dbraw/zinc/20/87/07/333208707.db2.gz FWNVBWCMSBFELA-DYVFJYSZSA-N 1 2 311.364 2.682 20 30 DFEDLO Cn1c(C[NH+]2CCC(C#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186304085 333218561 /nfs/dbraw/zinc/21/85/61/333218561.db2.gz NHKMLIQVPLUWAK-UHFFFAOYSA-N 1 2 315.808 2.871 20 30 DFEDLO Cc1cncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000189955067 333265480 /nfs/dbraw/zinc/26/54/80/333265480.db2.gz ICHNMUCNLMKSAE-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C#CCCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295217031 335130967 /nfs/dbraw/zinc/13/09/67/335130967.db2.gz BGWPRSNBLQKNKY-UHFFFAOYSA-N 1 2 301.777 2.945 20 30 DFEDLO COCCN(C)c1ccc(/C=C2/COc3ccccc3C2=O)c[nH+]1 ZINC000191215237 333278463 /nfs/dbraw/zinc/27/84/63/333278463.db2.gz WIMQIOISHCKXLT-PTNGSMBKSA-N 1 2 324.380 2.823 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111376489 333328942 /nfs/dbraw/zinc/32/89/42/333328942.db2.gz SOFOGOISXIEKCM-OLZOCXBDSA-N 1 2 307.463 2.945 20 30 DFEDLO C#CCC1(C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000365026437 333334672 /nfs/dbraw/zinc/33/46/72/333334672.db2.gz HLVIKQZPEQINMA-INIZCTEOSA-N 1 2 313.445 2.878 20 30 DFEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000066495119 335134587 /nfs/dbraw/zinc/13/45/87/335134587.db2.gz MZMPIWBVVNOHHC-CYBMUJFWSA-N 1 2 312.200 2.770 20 30 DFEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000066495119 335134589 /nfs/dbraw/zinc/13/45/89/335134589.db2.gz MZMPIWBVVNOHHC-CYBMUJFWSA-N 1 2 312.200 2.770 20 30 DFEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000066495117 335134696 /nfs/dbraw/zinc/13/46/96/335134696.db2.gz MZMPIWBVVNOHHC-ZDUSSCGKSA-N 1 2 312.200 2.770 20 30 DFEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000066495117 335134697 /nfs/dbraw/zinc/13/46/97/335134697.db2.gz MZMPIWBVVNOHHC-ZDUSSCGKSA-N 1 2 312.200 2.770 20 30 DFEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000119534076 333352104 /nfs/dbraw/zinc/35/21/04/333352104.db2.gz BLKZGAGXKHUDNN-QGZVFWFLSA-N 1 2 313.376 2.958 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000365166243 333356013 /nfs/dbraw/zinc/35/60/13/333356013.db2.gz XTLTYTLUPPSGDD-QZTJIDSGSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000365166243 333356015 /nfs/dbraw/zinc/35/60/15/333356015.db2.gz XTLTYTLUPPSGDD-QZTJIDSGSA-N 1 2 315.413 2.821 20 30 DFEDLO Cc1nc(C[N@@H+]2CCCN(CC#Cc3ccccc3)CC2)oc1C ZINC000365239073 333399824 /nfs/dbraw/zinc/39/98/24/333399824.db2.gz DEXFEXMHRQEIFC-UHFFFAOYSA-N 1 2 323.440 2.851 20 30 DFEDLO Cc1nc(C[N@H+]2CCCN(CC#Cc3ccccc3)CC2)oc1C ZINC000365239073 333399825 /nfs/dbraw/zinc/39/98/25/333399825.db2.gz DEXFEXMHRQEIFC-UHFFFAOYSA-N 1 2 323.440 2.851 20 30 DFEDLO C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000563217930 333482025 /nfs/dbraw/zinc/48/20/25/333482025.db2.gz QTXUPIYZNKSNSG-OIISXLGYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC#CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000296655191 335145398 /nfs/dbraw/zinc/14/53/98/335145398.db2.gz UFQKAUYURDQEQB-ZDUSSCGKSA-N 1 2 320.462 2.862 20 30 DFEDLO CC#CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000296655191 335145400 /nfs/dbraw/zinc/14/54/00/335145400.db2.gz UFQKAUYURDQEQB-ZDUSSCGKSA-N 1 2 320.462 2.862 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000339476856 333526869 /nfs/dbraw/zinc/52/68/69/333526869.db2.gz RSMLUOLXQUKQRB-OAHLLOKOSA-N 1 2 311.385 2.615 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000411282752 333649176 /nfs/dbraw/zinc/64/91/76/333649176.db2.gz JRAOFRUBSFLHAA-GFCCVEGCSA-N 1 2 317.414 2.944 20 30 DFEDLO C=CC[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000186168450 335156914 /nfs/dbraw/zinc/15/69/14/335156914.db2.gz LISRQKNVRWJDIQ-KRWDZBQOSA-N 1 2 316.445 2.573 20 30 DFEDLO C[C@@H]1CN(c2ccccc2CNc2cc(CC#N)cc[nH+]2)CCO1 ZINC000571622346 333821611 /nfs/dbraw/zinc/82/16/11/333821611.db2.gz PNVPSAMNTRNCMA-OAHLLOKOSA-N 1 2 322.412 2.985 20 30 DFEDLO N#CCCCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000264087756 333951634 /nfs/dbraw/zinc/95/16/34/333951634.db2.gz PLZYPJCFTKDNNS-UHFFFAOYSA-N 1 2 311.389 2.640 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000265145232 333963531 /nfs/dbraw/zinc/96/35/31/333963531.db2.gz OWPFRZSZHVKBMZ-FUKSAJPYSA-N 1 2 318.417 2.857 20 30 DFEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCCCC#N ZINC000271135771 334018996 /nfs/dbraw/zinc/01/89/96/334018996.db2.gz RGSKFDKPRRVIOI-CQSZACIVSA-N 1 2 301.390 2.969 20 30 DFEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCCCC#N ZINC000271135771 334018997 /nfs/dbraw/zinc/01/89/97/334018997.db2.gz RGSKFDKPRRVIOI-CQSZACIVSA-N 1 2 301.390 2.969 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271628483 334024776 /nfs/dbraw/zinc/02/47/76/334024776.db2.gz BDHCHUJNUAULCI-BDJLRTHQSA-N 1 2 309.360 2.670 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000271770871 334026784 /nfs/dbraw/zinc/02/67/84/334026784.db2.gz NUHALWPPPYMJAF-GFCCVEGCSA-N 1 2 321.371 2.958 20 30 DFEDLO CC1(C#N)CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000272544904 334036969 /nfs/dbraw/zinc/03/69/69/334036969.db2.gz JZQCBICPFPSUFB-MRXNPFEDSA-N 1 2 315.392 2.771 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272602156 334038163 /nfs/dbraw/zinc/03/81/63/334038163.db2.gz RATWJZKRSZBKGY-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272649171 334038536 /nfs/dbraw/zinc/03/85/36/334038536.db2.gz YWGUOOFQKYHJPI-LBPRGKRZSA-N 1 2 316.361 2.547 20 30 DFEDLO N#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000273171015 334044006 /nfs/dbraw/zinc/04/40/06/334044006.db2.gz DSSRMUSXXORLKZ-SJORKVTESA-N 1 2 323.400 2.715 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000273410963 334046176 /nfs/dbraw/zinc/04/61/76/334046176.db2.gz HWFFZQYDWHHIGL-HNNXBMFYSA-N 1 2 316.405 2.922 20 30 DFEDLO CCc1noc(C)c1CO[NH+]=C(N)COc1cccc(F)c1 ZINC000275523934 334071928 /nfs/dbraw/zinc/07/19/28/334071928.db2.gz PCKNJLZCPMNCON-UHFFFAOYSA-N 1 2 307.325 2.552 20 30 DFEDLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCCCC#N)[nH+]cn1 ZINC000275861229 334073499 /nfs/dbraw/zinc/07/34/99/334073499.db2.gz ZEVOSXXXUMDYGL-XJKSGUPXSA-N 1 2 303.410 2.808 20 30 DFEDLO CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCCCC#N)nc[nH+]1 ZINC000275861229 334073500 /nfs/dbraw/zinc/07/35/00/334073500.db2.gz ZEVOSXXXUMDYGL-XJKSGUPXSA-N 1 2 303.410 2.808 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277112199 334086702 /nfs/dbraw/zinc/08/67/02/334086702.db2.gz MOMFSFBVENTSTP-UHFFFAOYSA-N 1 2 312.339 2.561 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000278661114 334099353 /nfs/dbraw/zinc/09/93/53/334099353.db2.gz QLRIGZZBXAJWHF-CZUORRHYSA-N 1 2 317.820 2.790 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279027017 334104859 /nfs/dbraw/zinc/10/48/59/334104859.db2.gz WJHKOKRAZQYQQV-UHFFFAOYSA-N 1 2 314.433 2.865 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340064991 334121772 /nfs/dbraw/zinc/12/17/72/334121772.db2.gz OYJBBWZMLQMHIJ-UHFFFAOYSA-N 1 2 318.380 2.841 20 30 DFEDLO C=CCc1cc(C[N@@H+](CC(=O)OC)[C@H](C)CC)cc(OC)c1O ZINC000343609904 335177134 /nfs/dbraw/zinc/17/71/34/335177134.db2.gz XOGASGFDDZXGOK-CYBMUJFWSA-N 1 2 321.417 2.903 20 30 DFEDLO C=CCc1cc(C[N@H+](CC(=O)OC)[C@H](C)CC)cc(OC)c1O ZINC000343609904 335177135 /nfs/dbraw/zinc/17/71/35/335177135.db2.gz XOGASGFDDZXGOK-CYBMUJFWSA-N 1 2 321.417 2.903 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000282446683 334134964 /nfs/dbraw/zinc/13/49/64/334134964.db2.gz OLYBCAJLGKHFIQ-VMBOVVBDSA-N 1 2 318.392 2.829 20 30 DFEDLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283868431 334141605 /nfs/dbraw/zinc/14/16/05/334141605.db2.gz CKLIIXIJUDBMEG-LLVKDONJSA-N 1 2 307.375 2.679 20 30 DFEDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000284040916 334142292 /nfs/dbraw/zinc/14/22/92/334142292.db2.gz OURIEBRDGZQPTB-UHFFFAOYSA-N 1 2 313.405 2.753 20 30 DFEDLO NC(=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCCO1 ZINC000284383348 334143304 /nfs/dbraw/zinc/14/33/04/334143304.db2.gz MDEJUFDZSONQQD-CQSZACIVSA-N 1 2 321.764 2.963 20 30 DFEDLO CCNc1nc(N2CCC(C)(C#N)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000286409037 334153024 /nfs/dbraw/zinc/15/30/24/334153024.db2.gz GLTZFWWRXXGSRI-UHFFFAOYSA-N 1 2 317.441 2.644 20 30 DFEDLO CCNc1nc(NC(C)(C)C)nc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000286409037 334153025 /nfs/dbraw/zinc/15/30/25/334153025.db2.gz GLTZFWWRXXGSRI-UHFFFAOYSA-N 1 2 317.441 2.644 20 30 DFEDLO CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC(C)(C#N)CC2)n1 ZINC000286409037 334153026 /nfs/dbraw/zinc/15/30/26/334153026.db2.gz GLTZFWWRXXGSRI-UHFFFAOYSA-N 1 2 317.441 2.644 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287239545 334156819 /nfs/dbraw/zinc/15/68/19/334156819.db2.gz HQXJWPBMKISQOO-OAHLLOKOSA-N 1 2 324.428 2.608 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287239545 334156821 /nfs/dbraw/zinc/15/68/21/334156821.db2.gz HQXJWPBMKISQOO-OAHLLOKOSA-N 1 2 324.428 2.608 20 30 DFEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)n(C)c1C ZINC000291152711 334176995 /nfs/dbraw/zinc/17/69/95/334176995.db2.gz HJVOFGUFULTMSP-UHFFFAOYSA-N 1 2 305.422 2.882 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)n(C)c1C ZINC000291152711 334176996 /nfs/dbraw/zinc/17/69/96/334176996.db2.gz HJVOFGUFULTMSP-UHFFFAOYSA-N 1 2 305.422 2.882 20 30 DFEDLO N#C[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000292100779 334184644 /nfs/dbraw/zinc/18/46/44/334184644.db2.gz HWRKUMHAOHHUCP-SQNIBIBYSA-N 1 2 300.402 2.769 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000292100779 334184646 /nfs/dbraw/zinc/18/46/46/334184646.db2.gz HWRKUMHAOHHUCP-SQNIBIBYSA-N 1 2 300.402 2.769 20 30 DFEDLO COc1cc[nH+]c(CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1OC ZINC000292339209 334186961 /nfs/dbraw/zinc/18/69/61/334186961.db2.gz GRHJEHXBQPFNIQ-CVEARBPZSA-N 1 2 323.396 2.838 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000292337022 334187019 /nfs/dbraw/zinc/18/70/19/334187019.db2.gz WSRJVGKJNJWTLR-FZMZJTMJSA-N 1 2 322.206 2.516 20 30 DFEDLO CCCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292400455 334187540 /nfs/dbraw/zinc/18/75/40/334187540.db2.gz LDRKRIVYGQODGR-NXHRZFHOSA-N 1 2 313.445 2.920 20 30 DFEDLO CCCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292400455 334187542 /nfs/dbraw/zinc/18/75/42/334187542.db2.gz LDRKRIVYGQODGR-NXHRZFHOSA-N 1 2 313.445 2.920 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)C[C@H]1c1ccccc1 ZINC000292726937 334191335 /nfs/dbraw/zinc/19/13/35/334191335.db2.gz FYIJNQQFBRRSMJ-ZBFHGGJFSA-N 1 2 311.410 2.586 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)C[C@H]1c1ccccc1 ZINC000292726937 334191337 /nfs/dbraw/zinc/19/13/37/334191337.db2.gz FYIJNQQFBRRSMJ-ZBFHGGJFSA-N 1 2 311.410 2.586 20 30 DFEDLO CC[N@H+](CCC#N)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000292893880 334193908 /nfs/dbraw/zinc/19/39/08/334193908.db2.gz VJVRTLBSEYNQQT-XJKSGUPXSA-N 1 2 303.381 2.723 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000292893880 334193909 /nfs/dbraw/zinc/19/39/09/334193909.db2.gz VJVRTLBSEYNQQT-XJKSGUPXSA-N 1 2 303.381 2.723 20 30 DFEDLO FC(F)(F)Cn1cc[nH+]c1CN1CC(F)(F)C(F)(F)C1 ZINC000453408038 334272445 /nfs/dbraw/zinc/27/24/45/334272445.db2.gz ATJKCAWBSCRFSG-UHFFFAOYSA-N 1 2 305.197 2.532 20 30 DFEDLO N#CC1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000294453305 334209772 /nfs/dbraw/zinc/20/97/72/334209772.db2.gz VUWPSVHCSIWWNW-YIZWMMSDSA-N 1 2 301.419 2.875 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000295629044 334225907 /nfs/dbraw/zinc/22/59/07/334225907.db2.gz WZWDRDFZMNDVSU-YOEHRIQHSA-N 1 2 308.385 2.744 20 30 DFEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298745531 334251051 /nfs/dbraw/zinc/25/10/51/334251051.db2.gz UPTAMQWUIXJNBL-SJKOYZFVSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298745531 334251053 /nfs/dbraw/zinc/25/10/53/334251053.db2.gz UPTAMQWUIXJNBL-SJKOYZFVSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298745538 334251100 /nfs/dbraw/zinc/25/11/00/334251100.db2.gz UPTAMQWUIXJNBL-YVEFUNNKSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298745538 334251101 /nfs/dbraw/zinc/25/11/01/334251101.db2.gz UPTAMQWUIXJNBL-YVEFUNNKSA-N 1 2 303.381 2.627 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000299163820 334253817 /nfs/dbraw/zinc/25/38/17/334253817.db2.gz MWXZPOHLXTVLJY-UONOGXRCSA-N 1 2 305.447 2.743 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000299163820 334253819 /nfs/dbraw/zinc/25/38/19/334253819.db2.gz MWXZPOHLXTVLJY-UONOGXRCSA-N 1 2 305.447 2.743 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000299669728 334257186 /nfs/dbraw/zinc/25/71/86/334257186.db2.gz OQHQMGBMWHSCFM-KGLIPLIRSA-N 1 2 301.394 2.816 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000299669728 334257187 /nfs/dbraw/zinc/25/71/87/334257187.db2.gz OQHQMGBMWHSCFM-KGLIPLIRSA-N 1 2 301.394 2.816 20 30 DFEDLO C#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000120328037 334315430 /nfs/dbraw/zinc/31/54/30/334315430.db2.gz IKCQUNRHIKJZNL-UHFFFAOYSA-N 1 2 314.364 2.614 20 30 DFEDLO N#CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCCC1 ZINC000304247263 334357019 /nfs/dbraw/zinc/35/70/19/334357019.db2.gz AHALQHZTOVWJAC-OAHLLOKOSA-N 1 2 308.809 2.848 20 30 DFEDLO N#CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCCC1 ZINC000304247263 334357020 /nfs/dbraw/zinc/35/70/20/334357020.db2.gz AHALQHZTOVWJAC-OAHLLOKOSA-N 1 2 308.809 2.848 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000340945993 334395713 /nfs/dbraw/zinc/39/57/13/334395713.db2.gz YUEQOYCSXLHTNA-CQSZACIVSA-N 1 2 317.437 2.570 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000340945993 334395714 /nfs/dbraw/zinc/39/57/14/334395714.db2.gz YUEQOYCSXLHTNA-CQSZACIVSA-N 1 2 317.437 2.570 20 30 DFEDLO C#CC[C@@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000366800050 334602826 /nfs/dbraw/zinc/60/28/26/334602826.db2.gz KOQZSCSDMSYRIF-IAGOWNOFSA-N 1 2 322.412 2.824 20 30 DFEDLO CCCCc1[nH]c2ccc(NS(=O)(=O)[C@H](C#N)CC)cc2[nH+]1 ZINC000416952134 334685469 /nfs/dbraw/zinc/68/54/69/334685469.db2.gz JFGYYLSOZBVYTD-LBPRGKRZSA-N 1 2 320.418 2.949 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc3c[nH]nc31)CCC2 ZINC000328644652 334745452 /nfs/dbraw/zinc/74/54/52/334745452.db2.gz GAQFADCVXTTZGP-ZDUSSCGKSA-N 1 2 309.373 2.950 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000328645905 334745632 /nfs/dbraw/zinc/74/56/32/334745632.db2.gz GQRIBQUIKAKGEA-GUTXKFCHSA-N 1 2 304.438 2.961 20 30 DFEDLO Cc1cc(C)c(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c(C)[nH+]1 ZINC000328816759 334755370 /nfs/dbraw/zinc/75/53/70/334755370.db2.gz CWYOEIJXRMBRJZ-ZDUSSCGKSA-N 1 2 322.430 2.810 20 30 DFEDLO Cc1ccc(NC(=O)N2CC[C@H](C3CCOCC3)C2)c(C)[nH+]1 ZINC000328839291 334759201 /nfs/dbraw/zinc/75/92/01/334759201.db2.gz NSDQPNCDOATMDE-HNNXBMFYSA-N 1 2 303.406 2.992 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000328857183 334760789 /nfs/dbraw/zinc/76/07/89/334760789.db2.gz KLTWEJJDFDCZFK-NWDGAFQWSA-N 1 2 319.434 2.650 20 30 DFEDLO CC1(C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CCCO[C@@H]21 ZINC000328960999 334770400 /nfs/dbraw/zinc/77/04/00/334770400.db2.gz PUWIJBXKGOAELR-BEAPCOKYSA-N 1 2 303.406 2.606 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000330706540 334804893 /nfs/dbraw/zinc/80/48/93/334804893.db2.gz OROSVNCZUTULKH-UHFFFAOYSA-N 1 2 307.423 2.852 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330868884 334816830 /nfs/dbraw/zinc/81/68/30/334816830.db2.gz YTYSODWVQLCBDU-ITDIGPHOSA-N 1 2 316.792 2.821 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000343910628 335201597 /nfs/dbraw/zinc/20/15/97/335201597.db2.gz DKZHTNBYPNYXJA-MLGOLLRUSA-N 1 2 303.381 2.721 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000343910628 335201598 /nfs/dbraw/zinc/20/15/98/335201598.db2.gz DKZHTNBYPNYXJA-MLGOLLRUSA-N 1 2 303.381 2.721 20 30 DFEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345147708 335301474 /nfs/dbraw/zinc/30/14/74/335301474.db2.gz WIJWESFUWBDSRB-WMLDXEAASA-N 1 2 323.396 2.910 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000345767219 335350128 /nfs/dbraw/zinc/35/01/28/335350128.db2.gz QMFQVGHMKRSKEA-KRWDZBQOSA-N 1 2 318.380 2.820 20 30 DFEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cs1 ZINC000348324913 335577461 /nfs/dbraw/zinc/57/74/61/335577461.db2.gz QQHJGSKMPUFSRZ-OZVIIMIRSA-N 1 2 322.478 2.799 20 30 DFEDLO Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)n1 ZINC000348515890 335592754 /nfs/dbraw/zinc/59/27/54/335592754.db2.gz ZRDWNLCHHBXMTF-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000349584411 335682814 /nfs/dbraw/zinc/68/28/14/335682814.db2.gz AXGSOCQLKNTPPO-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCOC1)C1CCOCC1 ZINC000329074234 335936974 /nfs/dbraw/zinc/93/69/74/335936974.db2.gz PDIMMXURUHKYAP-LSDHHAIUSA-N 1 2 321.421 2.754 20 30 DFEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C12CCC2 ZINC000329453163 335978113 /nfs/dbraw/zinc/97/81/13/335978113.db2.gz NNNHTUAQVZFWNV-AEGPPILISA-N 1 2 303.406 2.750 20 30 DFEDLO Cc1cc(Cl)cnc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000329645737 336026242 /nfs/dbraw/zinc/02/62/42/336026242.db2.gz ZPIGXLOKCPTTHL-LLVKDONJSA-N 1 2 319.796 2.812 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCSC1)C2 ZINC000329659473 336029279 /nfs/dbraw/zinc/02/92/79/336029279.db2.gz NUNYIVQZZNCFEF-RYUDHWBXSA-N 1 2 322.478 2.505 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCSC1)C2 ZINC000329659473 336029280 /nfs/dbraw/zinc/02/92/80/336029280.db2.gz NUNYIVQZZNCFEF-RYUDHWBXSA-N 1 2 322.478 2.505 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000329672026 336036878 /nfs/dbraw/zinc/03/68/78/336036878.db2.gz UIQHIOBUFVOTMB-UHFFFAOYSA-N 1 2 302.378 2.666 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000329672026 336036880 /nfs/dbraw/zinc/03/68/80/336036880.db2.gz UIQHIOBUFVOTMB-UHFFFAOYSA-N 1 2 302.378 2.666 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](CC)C[C@H](C)C#N)n1 ZINC000351480468 336039267 /nfs/dbraw/zinc/03/92/67/336039267.db2.gz VBAAXLVSFNFZQF-OAHLLOKOSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](CC)C[C@H](C)C#N)n1 ZINC000351480468 336039268 /nfs/dbraw/zinc/03/92/68/336039268.db2.gz VBAAXLVSFNFZQF-OAHLLOKOSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(Cc1cccc(N(CC)CCOC)[nH+]1)C[C@H](C)C#N ZINC000351480468 336039269 /nfs/dbraw/zinc/03/92/69/336039269.db2.gz VBAAXLVSFNFZQF-OAHLLOKOSA-N 1 2 304.438 2.536 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000329703291 336060733 /nfs/dbraw/zinc/06/07/33/336060733.db2.gz IFMIMGSWQCYEOT-MRRJBJDNSA-N 1 2 310.401 2.874 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1ccccc1 ZINC000329703291 336060734 /nfs/dbraw/zinc/06/07/34/336060734.db2.gz IFMIMGSWQCYEOT-MRRJBJDNSA-N 1 2 310.401 2.874 20 30 DFEDLO CO[C@](C)(C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000329729022 336071253 /nfs/dbraw/zinc/07/12/53/336071253.db2.gz HLEKCDOACPLEQC-SFHVURJKSA-N 1 2 318.417 2.922 20 30 DFEDLO C=C(C)CC[N@@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000351860804 336073966 /nfs/dbraw/zinc/07/39/66/336073966.db2.gz ZBGHIANPMVRWOV-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO C=C(C)CC[N@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000351860804 336073968 /nfs/dbraw/zinc/07/39/68/336073968.db2.gz ZBGHIANPMVRWOV-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCCc2ccccc2C1 ZINC000329750590 336078016 /nfs/dbraw/zinc/07/80/16/336078016.db2.gz VCJDMUODVPDZBX-HNNXBMFYSA-N 1 2 310.401 2.629 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCCc2ccccc2C1 ZINC000329750590 336078017 /nfs/dbraw/zinc/07/80/17/336078017.db2.gz VCJDMUODVPDZBX-HNNXBMFYSA-N 1 2 310.401 2.629 20 30 DFEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@@H]1CCCS1 ZINC000329769589 336079869 /nfs/dbraw/zinc/07/98/69/336079869.db2.gz HZMPQHVSIZSPDC-AWEZNQCLSA-N 1 2 320.462 2.581 20 30 DFEDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CCC(=O)CC1 ZINC000329814588 336085092 /nfs/dbraw/zinc/08/50/92/336085092.db2.gz DFBBTGSXYWIAOL-UHFFFAOYSA-N 1 2 316.401 2.866 20 30 DFEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329824545 336086684 /nfs/dbraw/zinc/08/66/84/336086684.db2.gz BMILOYIWEUKTRG-AEFFLSMTSA-N 1 2 324.428 2.888 20 30 DFEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000329824545 336086686 /nfs/dbraw/zinc/08/66/86/336086686.db2.gz BMILOYIWEUKTRG-AEFFLSMTSA-N 1 2 324.428 2.888 20 30 DFEDLO CC(C)[C@H](C(=O)N[C@@H]1CCc2cn[nH]c2C1)[NH+]1CCCCC1 ZINC000329846054 336088864 /nfs/dbraw/zinc/08/88/64/336088864.db2.gz MBGDLURWKZNYSI-GDBMZVCRSA-N 1 2 304.438 2.734 20 30 DFEDLO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCn2cc[nH+]c2C1 ZINC000329859961 336090063 /nfs/dbraw/zinc/09/00/63/336090063.db2.gz XAVHTHKGIVRGOF-CQSZACIVSA-N 1 2 316.792 2.954 20 30 DFEDLO Cc1ccsc1CN(C)C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329871392 336090935 /nfs/dbraw/zinc/09/09/35/336090935.db2.gz ARLFRSOTPUGGTH-ZDUSSCGKSA-N 1 2 318.446 2.861 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329871207 336091117 /nfs/dbraw/zinc/09/11/17/336091117.db2.gz AOGBNNZXAFALRS-DGFSRKRXSA-N 1 2 320.437 2.513 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329871207 336091119 /nfs/dbraw/zinc/09/11/19/336091119.db2.gz AOGBNNZXAFALRS-DGFSRKRXSA-N 1 2 320.437 2.513 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC12CCC2 ZINC000329892300 336092878 /nfs/dbraw/zinc/09/28/78/336092878.db2.gz ADPKDJDDHZGROI-HUUCEWRRSA-N 1 2 316.449 2.872 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329898898 336093286 /nfs/dbraw/zinc/09/32/86/336093286.db2.gz MPBOKWFGZQQGRJ-BDJLRTHQSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329898898 336093288 /nfs/dbraw/zinc/09/32/88/336093288.db2.gz MPBOKWFGZQQGRJ-BDJLRTHQSA-N 1 2 318.373 2.503 20 30 DFEDLO CC1(C)COc2c1cccc2C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329917357 336095048 /nfs/dbraw/zinc/09/50/48/336095048.db2.gz ZHVSQLWQUCHPTK-LBPRGKRZSA-N 1 2 311.385 2.873 20 30 DFEDLO C[C@@H]1c2ccccc2CN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329946155 336098417 /nfs/dbraw/zinc/09/84/17/336098417.db2.gz JMEQNPKBSCGTSH-ZIAGYGMSSA-N 1 2 310.401 2.936 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000329958599 336100032 /nfs/dbraw/zinc/10/00/32/336100032.db2.gz QCPGLDZNQHOVRL-UONOGXRCSA-N 1 2 304.438 2.728 20 30 DFEDLO CC[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000329970382 336101321 /nfs/dbraw/zinc/10/13/21/336101321.db2.gz XDMPNLBMAVUVRY-NEPJUHHUSA-N 1 2 319.434 2.557 20 30 DFEDLO CCN1CCN(C(=O)Nc2cccc(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330060181 336110219 /nfs/dbraw/zinc/11/02/19/336110219.db2.gz MGBCOUIWWHEGKN-HNNXBMFYSA-N 1 2 313.405 2.642 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCC1(C)CC1)C2 ZINC000330117581 336114958 /nfs/dbraw/zinc/11/49/58/336114958.db2.gz XENHPDZACKPPOK-GFCCVEGCSA-N 1 2 304.438 2.799 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]CC1(C)CC1)C2 ZINC000330117581 336114959 /nfs/dbraw/zinc/11/49/59/336114959.db2.gz XENHPDZACKPPOK-GFCCVEGCSA-N 1 2 304.438 2.799 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121365 336115444 /nfs/dbraw/zinc/11/54/44/336115444.db2.gz JNXUOZMPDIDDHP-VKJFTORMSA-N 1 2 318.417 2.933 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121365 336115446 /nfs/dbraw/zinc/11/54/46/336115446.db2.gz JNXUOZMPDIDDHP-VKJFTORMSA-N 1 2 318.417 2.933 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330123361 336115678 /nfs/dbraw/zinc/11/56/78/336115678.db2.gz KWAWGLPEXZRYMX-BVIKNXMNSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCCOC2)O1 ZINC000330123361 336115680 /nfs/dbraw/zinc/11/56/80/336115680.db2.gz KWAWGLPEXZRYMX-BVIKNXMNSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330128294 336116199 /nfs/dbraw/zinc/11/61/99/336116199.db2.gz NLZFXOFVZRRILI-IIDMSEBBSA-N 1 2 324.465 2.934 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330128294 336116200 /nfs/dbraw/zinc/11/62/00/336116200.db2.gz NLZFXOFVZRRILI-IIDMSEBBSA-N 1 2 324.465 2.934 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330157876 336119095 /nfs/dbraw/zinc/11/90/95/336119095.db2.gz ZMOVJRMQHOUEOD-IUODEOHRSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330157876 336119096 /nfs/dbraw/zinc/11/90/96/336119096.db2.gz ZMOVJRMQHOUEOD-IUODEOHRSA-N 1 2 323.437 2.689 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCc2sccc21 ZINC000330185852 336121821 /nfs/dbraw/zinc/12/18/21/336121821.db2.gz JKBNGXGBISKXHA-DGCLKSJQSA-N 1 2 316.430 2.841 20 30 DFEDLO [O-]C(N[C@@H]1CCCc2sccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330185852 336121822 /nfs/dbraw/zinc/12/18/22/336121822.db2.gz JKBNGXGBISKXHA-DGCLKSJQSA-N 1 2 316.430 2.841 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](C)N2CCOCC2)[nH+]1 ZINC000330217734 336125504 /nfs/dbraw/zinc/12/55/04/336125504.db2.gz ITSNBFAKHORIAC-ZDUSSCGKSA-N 1 2 314.389 2.694 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909325 336128368 /nfs/dbraw/zinc/12/83/68/336128368.db2.gz TZCDCUXADLSHGB-STQMWFEESA-N 1 2 323.437 2.669 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909325 336128370 /nfs/dbraw/zinc/12/83/70/336128370.db2.gz TZCDCUXADLSHGB-STQMWFEESA-N 1 2 323.437 2.669 20 30 DFEDLO CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330266384 336131385 /nfs/dbraw/zinc/13/13/85/336131385.db2.gz HPVTWUKZDJSPGG-DLBZAZTESA-N 1 2 324.428 2.949 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000331659970 336143527 /nfs/dbraw/zinc/14/35/27/336143527.db2.gz SENCILIZPLXKLF-ZNMIVQPWSA-N 1 2 315.421 2.832 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000331894916 336151853 /nfs/dbraw/zinc/15/18/53/336151853.db2.gz HARJEOKOMPQZGE-SFHVURJKSA-N 1 2 324.428 2.677 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331894916 336151854 /nfs/dbraw/zinc/15/18/54/336151854.db2.gz HARJEOKOMPQZGE-SFHVURJKSA-N 1 2 324.428 2.677 20 30 DFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000331903571 336152491 /nfs/dbraw/zinc/15/24/91/336152491.db2.gz MBTZRLRAYHWOFD-QGZVFWFLSA-N 1 2 310.401 2.666 20 30 DFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331903571 336152492 /nfs/dbraw/zinc/15/24/92/336152492.db2.gz MBTZRLRAYHWOFD-QGZVFWFLSA-N 1 2 310.401 2.666 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000332130105 336159808 /nfs/dbraw/zinc/15/98/08/336159808.db2.gz ODGXIMXDKVFAFT-QFBILLFUSA-N 1 2 321.428 2.729 20 30 DFEDLO C[C@H]1CCC[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296120 336166947 /nfs/dbraw/zinc/16/69/47/336166947.db2.gz IDDWFCOKOUUDRH-LSDHHAIUSA-N 1 2 306.454 2.585 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCCO2)CCO1 ZINC000330335785 336168165 /nfs/dbraw/zinc/16/81/65/336168165.db2.gz RVBLLDKQVPBYLD-YCPHGPKFSA-N 1 2 321.421 2.946 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1=O ZINC000333627852 336207465 /nfs/dbraw/zinc/20/74/65/336207465.db2.gz QPJUXFGJKJYGGJ-IMJJTQAJSA-N 1 2 315.392 2.911 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458261 336220330 /nfs/dbraw/zinc/22/03/30/336220330.db2.gz INAHOMIFBHEKPW-UHFFFAOYSA-N 1 2 317.408 2.751 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352459002 336220455 /nfs/dbraw/zinc/22/04/55/336220455.db2.gz RRMBCXVXUSKPCW-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459143 336220490 /nfs/dbraw/zinc/22/04/90/336220490.db2.gz UPCZFPJNOBLLSB-ZDUSSCGKSA-N 1 2 319.380 2.740 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000352480464 336221185 /nfs/dbraw/zinc/22/11/85/336221185.db2.gz CGOQECWTXVYIJM-GFCCVEGCSA-N 1 2 307.344 2.789 20 30 DFEDLO CCCCCC(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000352790258 336236862 /nfs/dbraw/zinc/23/68/62/336236862.db2.gz REQIWPCKFWHQTG-OAHLLOKOSA-N 1 2 304.438 2.591 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccnc1OC ZINC000352798782 336238043 /nfs/dbraw/zinc/23/80/43/336238043.db2.gz XUGWRGDPZPBUCB-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccnc1OC ZINC000352798782 336238044 /nfs/dbraw/zinc/23/80/44/336238044.db2.gz XUGWRGDPZPBUCB-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO CC1CC(C#N)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000532321851 336238744 /nfs/dbraw/zinc/23/87/44/336238744.db2.gz KPVDJOHBFHFSNK-UHFFFAOYSA-N 1 2 312.417 2.628 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C)c1C ZINC000352803469 336239929 /nfs/dbraw/zinc/23/99/29/336239929.db2.gz OGLBZLXAHTUMNZ-UHFFFAOYSA-N 1 2 303.406 2.701 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C)c1C ZINC000352803469 336239930 /nfs/dbraw/zinc/23/99/30/336239930.db2.gz OGLBZLXAHTUMNZ-UHFFFAOYSA-N 1 2 303.406 2.701 20 30 DFEDLO C#CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367156713 336429900 /nfs/dbraw/zinc/42/99/00/336429900.db2.gz BIEULVPZJYRJER-OAHLLOKOSA-N 1 2 314.433 2.522 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC(C)(C#N)C1 ZINC000356087780 336535123 /nfs/dbraw/zinc/53/51/23/336535123.db2.gz BNCACYOSRGHXQF-UHFFFAOYSA-N 1 2 310.401 2.751 20 30 DFEDLO C=C[C@H](CO)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000356853305 336563141 /nfs/dbraw/zinc/56/31/41/336563141.db2.gz HXIHZXOJXDACNC-GFCCVEGCSA-N 1 2 318.760 2.804 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC000361105130 336738755 /nfs/dbraw/zinc/73/87/55/336738755.db2.gz AZSASFHGKDKJOA-BBWFWOEESA-N 1 2 303.402 2.657 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)C(=O)OC ZINC000361108210 336738941 /nfs/dbraw/zinc/73/89/41/336738941.db2.gz JUTIAYGPQWNZGA-ZIFCJYIRSA-N 1 2 317.429 2.831 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCCCN1CCO[C@@H](C#N)C1 ZINC000361297899 336749180 /nfs/dbraw/zinc/74/91/80/336749180.db2.gz VGZAZERNAUWKKK-INIZCTEOSA-N 1 2 312.417 2.739 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000361646623 336766854 /nfs/dbraw/zinc/76/68/54/336766854.db2.gz HSIXBHRHULRLOE-AWEZNQCLSA-N 1 2 305.447 2.550 20 30 DFEDLO C[C@H]1C[NH+](Cc2cccc(OCCCC#N)c2)C[C@H](C)S1=O ZINC000361657988 336767483 /nfs/dbraw/zinc/76/74/83/336767483.db2.gz DYLXCBPPHCCIGC-GJZGRUSLSA-N 1 2 320.458 2.710 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000362377897 336794257 /nfs/dbraw/zinc/79/42/57/336794257.db2.gz AFENRYDSKUNLQA-RISCZKNCSA-N 1 2 302.353 2.522 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000369505689 336866208 /nfs/dbraw/zinc/86/62/08/336866208.db2.gz ZMLQZHUWRLFUMF-LSDHHAIUSA-N 1 2 314.433 2.520 20 30 DFEDLO N#CC[C@@H](CC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369857913 336873160 /nfs/dbraw/zinc/87/31/60/336873160.db2.gz UKSOBUHZHPASII-WBVHZDCISA-N 1 2 322.412 2.649 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000373557434 336964727 /nfs/dbraw/zinc/96/47/27/336964727.db2.gz XTEQVRTWIDZDOG-GJZGRUSLSA-N 1 2 317.433 2.730 20 30 DFEDLO C=CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000373997634 336978792 /nfs/dbraw/zinc/97/87/92/336978792.db2.gz CHJRVGUBBGXWNK-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccco1 ZINC000121886969 336982184 /nfs/dbraw/zinc/98/21/84/336982184.db2.gz UFJGBHDROHKFQD-UHFFFAOYSA-N 1 2 301.375 2.713 20 30 DFEDLO Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)c(C)c(C)[nH+]1 ZINC000374492750 336990461 /nfs/dbraw/zinc/99/04/61/336990461.db2.gz QVVHMCQJBVIMMG-UHFFFAOYSA-N 1 2 307.401 2.859 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000374713235 336995670 /nfs/dbraw/zinc/99/56/70/336995670.db2.gz FAOYEZDKNPONFS-CABCVRRESA-N 1 2 320.437 2.594 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377003306 337044965 /nfs/dbraw/zinc/04/49/65/337044965.db2.gz RACRPTUJVNDXJT-CYBMUJFWSA-N 1 2 303.410 2.976 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000377003307 337044990 /nfs/dbraw/zinc/04/49/90/337044990.db2.gz RACRPTUJVNDXJT-ZDUSSCGKSA-N 1 2 303.410 2.976 20 30 DFEDLO COCCC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CCCCC1 ZINC000377009434 337045279 /nfs/dbraw/zinc/04/52/79/337045279.db2.gz HZMFDTXVHGYLOT-QGZVFWFLSA-N 1 2 305.466 2.646 20 30 DFEDLO COCCC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CCCCC1 ZINC000377009434 337045280 /nfs/dbraw/zinc/04/52/80/337045280.db2.gz HZMFDTXVHGYLOT-QGZVFWFLSA-N 1 2 305.466 2.646 20 30 DFEDLO N#C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CCN1C1CC1 ZINC000377009223 337045316 /nfs/dbraw/zinc/04/53/16/337045316.db2.gz FLGYZCGOLWOROY-GOSISDBHSA-N 1 2 313.445 2.908 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CCN1C1CC1 ZINC000377009223 337045317 /nfs/dbraw/zinc/04/53/17/337045317.db2.gz FLGYZCGOLWOROY-GOSISDBHSA-N 1 2 313.445 2.908 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000377027082 337045692 /nfs/dbraw/zinc/04/56/92/337045692.db2.gz DDPZFMFEIUFKAG-ZDUSSCGKSA-N 1 2 303.410 2.629 20 30 DFEDLO C=CCCCCCCNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000377040591 337045894 /nfs/dbraw/zinc/04/58/94/337045894.db2.gz DKWZVTRYAMDYKC-OAHLLOKOSA-N 1 2 304.438 2.881 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000178079012 337160309 /nfs/dbraw/zinc/16/03/09/337160309.db2.gz VMBMRGDLQKYABN-OAHLLOKOSA-N 1 2 311.809 2.642 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000178079012 337160310 /nfs/dbraw/zinc/16/03/10/337160310.db2.gz VMBMRGDLQKYABN-OAHLLOKOSA-N 1 2 311.809 2.642 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178475778 337163104 /nfs/dbraw/zinc/16/31/04/337163104.db2.gz YKFNTJXCASWSBN-AWEZNQCLSA-N 1 2 313.376 2.799 20 30 DFEDLO Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582789317 337166431 /nfs/dbraw/zinc/16/64/31/337166431.db2.gz VTRNJSGQCPVFSY-AWEZNQCLSA-N 1 2 313.323 2.588 20 30 DFEDLO C#CCOCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179302834 337168618 /nfs/dbraw/zinc/16/86/18/337168618.db2.gz WRXRSEIVQVHZCZ-UHFFFAOYSA-N 1 2 323.396 2.865 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000181251142 337180532 /nfs/dbraw/zinc/18/05/32/337180532.db2.gz KDIUAGREIDXRLT-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000181251142 337180533 /nfs/dbraw/zinc/18/05/33/337180533.db2.gz KDIUAGREIDXRLT-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000181245438 337180560 /nfs/dbraw/zinc/18/05/60/337180560.db2.gz LIEKXTQVRHXTHN-UHFFFAOYSA-N 1 2 318.446 2.529 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000181245438 337180561 /nfs/dbraw/zinc/18/05/61/337180561.db2.gz LIEKXTQVRHXTHN-UHFFFAOYSA-N 1 2 318.446 2.529 20 30 DFEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185900246 337252441 /nfs/dbraw/zinc/25/24/41/337252441.db2.gz CZDUMILPCNETTB-INIZCTEOSA-N 1 2 324.346 2.787 20 30 DFEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185900246 337252442 /nfs/dbraw/zinc/25/24/42/337252442.db2.gz CZDUMILPCNETTB-INIZCTEOSA-N 1 2 324.346 2.787 20 30 DFEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccc(F)c(F)c1 ZINC000187782896 337268037 /nfs/dbraw/zinc/26/80/37/337268037.db2.gz OTYCMIJJZGIRPC-OAHLLOKOSA-N 1 2 307.348 2.939 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000191077698 337293538 /nfs/dbraw/zinc/29/35/38/337293538.db2.gz OGYNRLHHPGERPZ-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000191077698 337293539 /nfs/dbraw/zinc/29/35/39/337293539.db2.gz OGYNRLHHPGERPZ-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000191149964 337294467 /nfs/dbraw/zinc/29/44/67/337294467.db2.gz LWAQKAXTKRLPDI-UHFFFAOYSA-N 1 2 324.222 2.960 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000191149964 337294468 /nfs/dbraw/zinc/29/44/68/337294468.db2.gz LWAQKAXTKRLPDI-UHFFFAOYSA-N 1 2 324.222 2.960 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000191149964 337294469 /nfs/dbraw/zinc/29/44/69/337294469.db2.gz LWAQKAXTKRLPDI-UHFFFAOYSA-N 1 2 324.222 2.960 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000191149964 337294470 /nfs/dbraw/zinc/29/44/70/337294470.db2.gz LWAQKAXTKRLPDI-UHFFFAOYSA-N 1 2 324.222 2.960 20 30 DFEDLO CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C[C@@H](C)C#N ZINC000064249172 337294716 /nfs/dbraw/zinc/29/47/16/337294716.db2.gz HGEXTABFCTYRGM-INIZCTEOSA-N 1 2 313.445 2.968 20 30 DFEDLO CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C[C@@H](C)C#N ZINC000064249172 337294717 /nfs/dbraw/zinc/29/47/17/337294717.db2.gz HGEXTABFCTYRGM-INIZCTEOSA-N 1 2 313.445 2.968 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191762598 337300021 /nfs/dbraw/zinc/30/00/21/337300021.db2.gz KKPJHMSQAGSQED-UHFFFAOYSA-N 1 2 316.304 2.831 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191762598 337300022 /nfs/dbraw/zinc/30/00/22/337300022.db2.gz KKPJHMSQAGSQED-UHFFFAOYSA-N 1 2 316.304 2.831 20 30 DFEDLO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418714010 337391437 /nfs/dbraw/zinc/39/14/37/337391437.db2.gz AEWTUOPGJIEBHR-ZDUSSCGKSA-N 1 2 303.397 2.619 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000195197632 337465530 /nfs/dbraw/zinc/46/55/30/337465530.db2.gz QMBTWZPWRUCFJP-UHFFFAOYSA-N 1 2 313.467 2.820 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419264463 337477126 /nfs/dbraw/zinc/47/71/26/337477126.db2.gz XQXMFCLYOFDHOR-ULQDDVLXSA-N 1 2 300.402 2.833 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)OCC ZINC000270487061 337640531 /nfs/dbraw/zinc/64/05/31/337640531.db2.gz ULQONNDJLZKQKJ-KRWDZBQOSA-N 1 2 313.401 2.860 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2sccc2Br)nn1 ZINC000424176313 337797057 /nfs/dbraw/zinc/79/70/57/337797057.db2.gz XFAMUSUGBQUPBJ-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCC)c(OCC)c2)nn1 ZINC000424177320 337798464 /nfs/dbraw/zinc/79/84/64/337798464.db2.gz ZTHJLWXOQFIRKT-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nccc(OC)n2)cc1Cl ZINC000424188507 337803015 /nfs/dbraw/zinc/80/30/15/337803015.db2.gz KNNKSPREWPRRMT-UHFFFAOYSA-N 1 2 319.792 2.993 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000516310800 338009437 /nfs/dbraw/zinc/00/94/37/338009437.db2.gz NXYJKYPVTRZHCX-DZGCQCFKSA-N 1 2 303.381 2.911 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000516310802 338009442 /nfs/dbraw/zinc/00/94/42/338009442.db2.gz NXYJKYPVTRZHCX-UKRRQHHQSA-N 1 2 303.381 2.911 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000428952537 338066505 /nfs/dbraw/zinc/06/65/05/338066505.db2.gz CWTADRYJXZIHSQ-LSDHHAIUSA-N 1 2 317.437 2.559 20 30 DFEDLO C[C@@H]1c2cccn2CCN1CC#CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000429723308 338088382 /nfs/dbraw/zinc/08/83/82/338088382.db2.gz JUQWDSOSXCQFFV-QZTJIDSGSA-N 1 2 322.456 2.746 20 30 DFEDLO C[C@@H]1c2cccn2CCN1CC#CC[N@H+]1CCn2cccc2[C@H]1C ZINC000429723308 338088383 /nfs/dbraw/zinc/08/83/83/338088383.db2.gz JUQWDSOSXCQFFV-QZTJIDSGSA-N 1 2 322.456 2.746 20 30 DFEDLO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cn1 ZINC000430080118 338094995 /nfs/dbraw/zinc/09/49/95/338094995.db2.gz AZVHKBBIJFBOSK-GDBMZVCRSA-N 1 2 308.385 2.934 20 30 DFEDLO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCC[C@@H]2C#N)cn1 ZINC000430080129 338095054 /nfs/dbraw/zinc/09/50/54/338095054.db2.gz AZVHKBBIJFBOSK-ZBFHGGJFSA-N 1 2 308.385 2.934 20 30 DFEDLO C=C(C)COCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000430855869 338117068 /nfs/dbraw/zinc/11/70/68/338117068.db2.gz WSNGHAHVYDKVEX-HNNXBMFYSA-N 1 2 320.437 2.732 20 30 DFEDLO COCCc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433015870 338176273 /nfs/dbraw/zinc/17/62/73/338176273.db2.gz YWKLQRPFDNZWNG-HNNXBMFYSA-N 1 2 314.389 2.783 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000433245320 338187860 /nfs/dbraw/zinc/18/78/60/338187860.db2.gz LCZYYDWQDGNTDB-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000433245320 338187861 /nfs/dbraw/zinc/18/78/61/338187861.db2.gz LCZYYDWQDGNTDB-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290119 338189530 /nfs/dbraw/zinc/18/95/30/338189530.db2.gz RWODPAASHDJJED-CHWSQXEVSA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290119 338189531 /nfs/dbraw/zinc/18/95/31/338189531.db2.gz RWODPAASHDJJED-CHWSQXEVSA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC(C)(C)C#N ZINC000433289856 338189659 /nfs/dbraw/zinc/18/96/59/338189659.db2.gz RIMDPELLZMOOHB-CYBMUJFWSA-N 1 2 317.458 2.995 20 30 DFEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC(C)(C)C#N ZINC000433289856 338189660 /nfs/dbraw/zinc/18/96/60/338189660.db2.gz RIMDPELLZMOOHB-CYBMUJFWSA-N 1 2 317.458 2.995 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CC(C)(C)C#N ZINC000433324460 338192462 /nfs/dbraw/zinc/19/24/62/338192462.db2.gz DNFACDOBYQVGHB-ZDUSSCGKSA-N 1 2 305.397 2.654 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433324460 338192463 /nfs/dbraw/zinc/19/24/63/338192463.db2.gz DNFACDOBYQVGHB-ZDUSSCGKSA-N 1 2 305.397 2.654 20 30 DFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000433340375 338193308 /nfs/dbraw/zinc/19/33/08/338193308.db2.gz DSUKLWTYTXQLJR-QGZVFWFLSA-N 1 2 322.412 2.819 20 30 DFEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC12CCCC2 ZINC000448557581 338237586 /nfs/dbraw/zinc/23/75/86/338237586.db2.gz RECBVZUZZJSLTJ-FQEVSTJZSA-N 1 2 323.440 2.805 20 30 DFEDLO C=C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448913381 338579672 /nfs/dbraw/zinc/57/96/72/338579672.db2.gz SEDSUWXMUIIZBH-UHFFFAOYSA-N 1 2 312.329 2.573 20 30 DFEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000450918958 338712446 /nfs/dbraw/zinc/71/24/46/338712446.db2.gz XEHIOUZFABZINK-ZBFHGGJFSA-N 1 2 320.458 2.753 20 30 DFEDLO C=CC(C)(C)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000452775339 338778752 /nfs/dbraw/zinc/77/87/52/338778752.db2.gz NYSUIHKAJVYBEB-UHFFFAOYSA-N 1 2 307.344 2.951 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2[nH+]ccn21 ZINC000456424349 338929472 /nfs/dbraw/zinc/92/94/72/338929472.db2.gz PNZGFMRFZSZKGG-SWLSCSKDSA-N 1 2 306.369 2.874 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1C ZINC000459467472 339030846 /nfs/dbraw/zinc/03/08/46/339030846.db2.gz PRUXDWGBKQUKQP-SJORKVTESA-N 1 2 324.428 2.832 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000459467469 339030934 /nfs/dbraw/zinc/03/09/34/339030934.db2.gz PRUXDWGBKQUKQP-IAGOWNOFSA-N 1 2 324.428 2.832 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295979 339230318 /nfs/dbraw/zinc/23/03/18/339230318.db2.gz XDIQQUWPMKIUJJ-XIRDDKMYSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295979 339230319 /nfs/dbraw/zinc/23/03/19/339230319.db2.gz XDIQQUWPMKIUJJ-XIRDDKMYSA-N 1 2 317.816 2.965 20 30 DFEDLO C#CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)C1CCCC1 ZINC000491786857 339881625 /nfs/dbraw/zinc/88/16/25/339881625.db2.gz PQXCENOJHVRKQM-UHFFFAOYSA-N 1 2 310.401 2.730 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]\CC2CCN(C(=O)OC)CC2)c1 ZINC000495677454 339989976 /nfs/dbraw/zinc/98/99/76/339989976.db2.gz OOBYHRIMALTZBF-PDGQHHTCSA-N 1 2 320.389 2.688 20 30 DFEDLO CC(C)(C)OC(=O)NCC[N@H+](CCC#N)CCc1ccccc1 ZINC000496668151 340010208 /nfs/dbraw/zinc/01/02/08/340010208.db2.gz PBCQUAIPMPKHFN-UHFFFAOYSA-N 1 2 317.433 2.969 20 30 DFEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCC#N)CCc1ccccc1 ZINC000496668151 340010209 /nfs/dbraw/zinc/01/02/09/340010209.db2.gz PBCQUAIPMPKHFN-UHFFFAOYSA-N 1 2 317.433 2.969 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C/c2ccc(OCC)cc2O)CC1 ZINC000496745019 340011867 /nfs/dbraw/zinc/01/18/67/340011867.db2.gz ZWVGQKXUVHFIGM-LDADJPATSA-N 1 2 320.389 2.831 20 30 DFEDLO C[C@@H](CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496795636 340013182 /nfs/dbraw/zinc/01/31/82/340013182.db2.gz MYPDUAGSUBTKFG-XJKSGUPXSA-N 1 2 313.417 2.960 20 30 DFEDLO C[C@@H](CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496795636 340013183 /nfs/dbraw/zinc/01/31/83/340013183.db2.gz MYPDUAGSUBTKFG-XJKSGUPXSA-N 1 2 313.417 2.960 20 30 DFEDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191927539 340560236 /nfs/dbraw/zinc/56/02/36/340560236.db2.gz FVBOWUVIHLWOFR-UHFFFAOYSA-N 1 2 321.380 2.769 20 30 DFEDLO Cc1ccc(-c2noc(CSCC#N)n2)c(N2CCCC2)[nH+]1 ZINC000545665241 341135353 /nfs/dbraw/zinc/13/53/53/341135353.db2.gz RGRYSOGKIMGEDP-UHFFFAOYSA-N 1 2 315.402 2.797 20 30 DFEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)cc2c1OCCO2 ZINC000547340502 341207241 /nfs/dbraw/zinc/20/72/41/341207241.db2.gz WMWKFWSHMASEJT-UHFFFAOYSA-N 1 2 311.341 2.540 20 30 DFEDLO CC#CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135898296 341247918 /nfs/dbraw/zinc/24/79/18/341247918.db2.gz CQWZVKUIADKLLH-LSDHHAIUSA-N 1 2 323.799 2.547 20 30 DFEDLO CC#CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135898296 341247919 /nfs/dbraw/zinc/24/79/19/341247919.db2.gz CQWZVKUIADKLLH-LSDHHAIUSA-N 1 2 323.799 2.547 20 30 DFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000135933533 341248531 /nfs/dbraw/zinc/24/85/31/341248531.db2.gz OWPRUUFMPRETOK-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO Cc1ccc(C(=O)N[C@@]2(C#N)CCOC2)cc1Oc1cc[nH+]cc1 ZINC000548138788 341248786 /nfs/dbraw/zinc/24/87/86/341248786.db2.gz QRVYDAIADCSVGE-GOSISDBHSA-N 1 2 323.352 2.595 20 30 DFEDLO CC#CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000136037474 341251269 /nfs/dbraw/zinc/25/12/69/341251269.db2.gz VTWXORRGJLMKBJ-CQSZACIVSA-N 1 2 319.836 2.752 20 30 DFEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccno2)CC1 ZINC000548427576 341260219 /nfs/dbraw/zinc/26/02/19/341260219.db2.gz SCSXWOIETHKOPI-MRXNPFEDSA-N 1 2 316.792 2.710 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)CSCC#N)ccc2n1C1CC1 ZINC000555569373 341485604 /nfs/dbraw/zinc/48/56/04/341485604.db2.gz UENKDCGYZXCKPY-UHFFFAOYSA-N 1 2 314.414 2.553 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCSc2ccccc21 ZINC000564585019 341504394 /nfs/dbraw/zinc/50/43/94/341504394.db2.gz MGTNNYLTXPHFOS-CHWSQXEVSA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1c[nH]c2ccccc21 ZINC000567995548 341644495 /nfs/dbraw/zinc/64/44/95/341644495.db2.gz NLDLDYZNNCBIRT-SCLBCKFNSA-N 1 2 312.417 2.622 20 30 DFEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)oc2c1c(C)ccc2C ZINC000568516941 341673672 /nfs/dbraw/zinc/67/36/72/341673672.db2.gz UDPRNULZWNUENU-SFHVURJKSA-N 1 2 313.401 2.932 20 30 DFEDLO C=C(CC)CS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427850886 517320172 /nfs/dbraw/zinc/32/01/72/517320172.db2.gz QRYYCNXCHNWLLR-HNNXBMFYSA-N 1 2 319.474 2.818 20 30 DFEDLO CC(=O)N(C)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000174140049 534742189 /nfs/dbraw/zinc/74/21/89/534742189.db2.gz VOEOSECCMZSYQR-UHFFFAOYSA-N 1 2 319.368 2.801 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000364917116 526689873 /nfs/dbraw/zinc/68/98/73/526689873.db2.gz RXTAMLORLKLNSS-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc4c(c3)CCC(=O)N4)n2c1 ZINC000156012297 526693305 /nfs/dbraw/zinc/69/33/05/526693305.db2.gz ZXGMSXQMZVREPC-UHFFFAOYSA-N 1 2 317.352 2.703 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(CCCOc1cccc(C#N)c1)C2 ZINC000363840829 527183979 /nfs/dbraw/zinc/18/39/79/527183979.db2.gz HLGPTDGMLVDEQB-UHFFFAOYSA-N 1 2 310.401 2.656 20 30 DFEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000332582749 529048119 /nfs/dbraw/zinc/04/81/19/529048119.db2.gz IPZGGMDYQWWVDX-RHSMWYFYSA-N 1 2 322.412 2.927 20 30 DFEDLO CC(C)N1C(=O)C[N@H+](Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000361827007 535129212 /nfs/dbraw/zinc/12/92/12/535129212.db2.gz BEQKNOZQOLCDBC-UHFFFAOYSA-N 1 2 303.381 2.529 20 30 DFEDLO CC(C)N1C(=O)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000361827007 535129218 /nfs/dbraw/zinc/12/92/18/535129218.db2.gz BEQKNOZQOLCDBC-UHFFFAOYSA-N 1 2 303.381 2.529 20 30 DFEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)c(F)c1 ZINC000361861611 536486203 /nfs/dbraw/zinc/48/62/03/536486203.db2.gz DHMABMYVUVXALW-UHFFFAOYSA-N 1 2 323.331 2.774 20 30 DFEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)c(F)c1 ZINC000361861611 536486204 /nfs/dbraw/zinc/48/62/04/536486204.db2.gz DHMABMYVUVXALW-UHFFFAOYSA-N 1 2 323.331 2.774 20 30 DFEDLO COCC#CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000681468589 545645289 /nfs/dbraw/zinc/64/52/89/545645289.db2.gz XBSKDGLATBHHQH-IBGZPJMESA-N 1 2 319.408 2.902 20 30 DFEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](CC)Cc2noc(C)n2)CC1 ZINC000681934097 545754583 /nfs/dbraw/zinc/75/45/83/545754583.db2.gz REFDUMMXHMZYCB-HNNXBMFYSA-N 1 2 320.437 2.547 20 30 DFEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](CC)Cc2noc(C)n2)CC1 ZINC000681934097 545754587 /nfs/dbraw/zinc/75/45/87/545754587.db2.gz REFDUMMXHMZYCB-HNNXBMFYSA-N 1 2 320.437 2.547 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000684928918 546303885 /nfs/dbraw/zinc/30/38/85/546303885.db2.gz GZLKVWAQBJLTBI-LSDHHAIUSA-N 1 2 320.437 2.553 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000684928918 546303886 /nfs/dbraw/zinc/30/38/86/546303886.db2.gz GZLKVWAQBJLTBI-LSDHHAIUSA-N 1 2 320.437 2.553 20 30 DFEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1N(C)C ZINC000823962313 608749001 /nfs/dbraw/zinc/74/90/01/608749001.db2.gz JEJJUYFVTSZMBC-UHFFFAOYSA-N 1 2 321.388 2.769 20 30 DFEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c[nH]1 ZINC000181286482 199275895 /nfs/dbraw/zinc/27/58/95/199275895.db2.gz VWEABSCOCZLRDR-UHFFFAOYSA-N 1 2 323.400 2.592 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000278630710 214288938 /nfs/dbraw/zinc/28/89/38/214288938.db2.gz KQZAERIODZIEPE-GDBMZVCRSA-N 1 2 318.417 2.647 20 30 DFEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CCCC[C@H]3C#N)[nH+]c2c1 ZINC000596186340 398351626 /nfs/dbraw/zinc/35/16/26/398351626.db2.gz UPBMCHJZVRWIJA-ZFWWWQNUSA-N 1 2 311.389 2.524 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000081514707 398354924 /nfs/dbraw/zinc/35/49/24/398354924.db2.gz SYQRVQVQMZWRMS-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081514707 398354928 /nfs/dbraw/zinc/35/49/28/398354928.db2.gz SYQRVQVQMZWRMS-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000081514170 398355113 /nfs/dbraw/zinc/35/51/13/398355113.db2.gz NKPNPUDRTQNDTQ-LLVKDONJSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000081514170 398355118 /nfs/dbraw/zinc/35/51/18/398355118.db2.gz NKPNPUDRTQNDTQ-LLVKDONJSA-N 1 2 317.216 2.969 20 30 DFEDLO CCc1nc(C#N)cc(N2CCCC[C@@H]2c2[nH+]ccn2CC)n1 ZINC000596216899 398359450 /nfs/dbraw/zinc/35/94/50/398359450.db2.gz VXOYDLJSONDQNF-CQSZACIVSA-N 1 2 310.405 2.859 20 30 DFEDLO N#CC[C@]1(O)CCN(c2[nH+]cccc2OCc2ccccc2)C1 ZINC000591975671 398366665 /nfs/dbraw/zinc/36/66/65/398366665.db2.gz QPHMIZIDKJCYGU-SFHVURJKSA-N 1 2 309.369 2.515 20 30 DFEDLO CCCOc1cccc2c(N3CC[C@@](O)(CC#N)C3)cc[nH+]c12 ZINC000591975712 398367213 /nfs/dbraw/zinc/36/72/13/398367213.db2.gz QWNFMYUPXUUHIE-SFHVURJKSA-N 1 2 311.385 2.878 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)c2[nH+]ccn21 ZINC000592012856 398373421 /nfs/dbraw/zinc/37/34/21/398373421.db2.gz NCSSIYBHUBGRMS-GXTWGEPZSA-N 1 2 301.394 2.614 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000592058185 398378232 /nfs/dbraw/zinc/37/82/32/398378232.db2.gz CASRSAWIFAUVKZ-UHFFFAOYSA-N 1 2 320.396 2.804 20 30 DFEDLO N#CC[C@H]1CCCN(c2cc(N3CCC[C@H](CC#N)C3)[nH+]cn2)C1 ZINC000596327744 398387078 /nfs/dbraw/zinc/38/70/78/398387078.db2.gz BJKOHCTUTPTXCW-HZPDHXFCSA-N 1 2 324.432 2.737 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Cl)c1 ZINC000592130230 398389363 /nfs/dbraw/zinc/38/93/63/398389363.db2.gz BRIYVHLXBLBXNA-ZDUSSCGKSA-N 1 2 311.763 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(Cl)c1 ZINC000592130230 398389366 /nfs/dbraw/zinc/38/93/66/398389366.db2.gz BRIYVHLXBLBXNA-ZDUSSCGKSA-N 1 2 311.763 2.737 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581429917 398390729 /nfs/dbraw/zinc/39/07/29/398390729.db2.gz PFAZKGLPYKIGGJ-LJQANCHMSA-N 1 2 322.408 2.935 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000592150191 398392867 /nfs/dbraw/zinc/39/28/67/398392867.db2.gz BRFRHJGSTXACPY-CYBMUJFWSA-N 1 2 320.261 2.834 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000592150191 398392871 /nfs/dbraw/zinc/39/28/71/398392871.db2.gz BRFRHJGSTXACPY-CYBMUJFWSA-N 1 2 320.261 2.834 20 30 DFEDLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151136 398392209 /nfs/dbraw/zinc/39/22/09/398392209.db2.gz MOUWEJLUVPQYBT-FZMZJTMJSA-N 1 2 309.207 2.861 20 30 DFEDLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151136 398392215 /nfs/dbraw/zinc/39/22/15/398392215.db2.gz MOUWEJLUVPQYBT-FZMZJTMJSA-N 1 2 309.207 2.861 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148373 398392574 /nfs/dbraw/zinc/39/25/74/398392574.db2.gz XWXVZEAEMIRRRA-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000592148373 398392575 /nfs/dbraw/zinc/39/25/75/398392575.db2.gz XWXVZEAEMIRRRA-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000592158201 398393489 /nfs/dbraw/zinc/39/34/89/398393489.db2.gz YVLPROHYUBTHLP-AWEZNQCLSA-N 1 2 305.422 2.874 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592195499 398399766 /nfs/dbraw/zinc/39/97/66/398399766.db2.gz SQVYKYBGBSAHPK-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592195499 398399767 /nfs/dbraw/zinc/39/97/67/398399767.db2.gz SQVYKYBGBSAHPK-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cncc(C#N)n1 ZINC000584713590 398401378 /nfs/dbraw/zinc/40/13/78/398401378.db2.gz NHBVIAKYKAUAOR-HNNXBMFYSA-N 1 2 318.384 2.675 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000585753783 398445532 /nfs/dbraw/zinc/44/55/32/398445532.db2.gz ORFOGKQRFWMPSI-HNNXBMFYSA-N 1 2 322.836 2.888 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000585753783 398445533 /nfs/dbraw/zinc/44/55/33/398445533.db2.gz ORFOGKQRFWMPSI-HNNXBMFYSA-N 1 2 322.836 2.888 20 30 DFEDLO Cc1cc(NCC2(C(=O)OC(C)(C)C)CCC2)c(C#N)c[nH+]1 ZINC000596562158 398447886 /nfs/dbraw/zinc/44/78/86/398447886.db2.gz WFQFQHRMSVSOCJ-UHFFFAOYSA-N 1 2 301.390 2.608 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C#N)CC1 ZINC000057877567 334953507 /nfs/dbraw/zinc/95/35/07/334953507.db2.gz IQTQCWCHSICBGX-ZDUSSCGKSA-N 1 2 308.385 2.797 20 30 DFEDLO COc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323406 398451962 /nfs/dbraw/zinc/45/19/62/398451962.db2.gz MCXNUECJEROTOO-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323406 398451965 /nfs/dbraw/zinc/45/19/65/398451965.db2.gz MCXNUECJEROTOO-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO CCOC1CC(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000586764467 398455452 /nfs/dbraw/zinc/45/54/52/398455452.db2.gz DAMDYDGHKXJANU-XBMUEBEBSA-N 1 2 313.445 2.511 20 30 DFEDLO CCOC1CC(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000586764467 398455454 /nfs/dbraw/zinc/45/54/54/398455454.db2.gz DAMDYDGHKXJANU-XBMUEBEBSA-N 1 2 313.445 2.511 20 30 DFEDLO N#Cc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1F ZINC000089970346 398473569 /nfs/dbraw/zinc/47/35/69/398473569.db2.gz YJKWXUHXYJUGNJ-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1)C1CC1 ZINC000090616032 398490111 /nfs/dbraw/zinc/49/01/11/398490111.db2.gz YGVJLNJNPJACLE-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1)C1CC1 ZINC000090616032 398490113 /nfs/dbraw/zinc/49/01/13/398490113.db2.gz YGVJLNJNPJACLE-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000588212167 398490138 /nfs/dbraw/zinc/49/01/38/398490138.db2.gz NKFSDLVOBRLCLC-CYBMUJFWSA-N 1 2 322.416 2.779 20 30 DFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000588212167 398490139 /nfs/dbraw/zinc/49/01/39/398490139.db2.gz NKFSDLVOBRLCLC-CYBMUJFWSA-N 1 2 322.416 2.779 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588367276 398498005 /nfs/dbraw/zinc/49/80/05/398498005.db2.gz UAXQWWMBRBEEMP-INIZCTEOSA-N 1 2 314.433 2.761 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000305774254 398506571 /nfs/dbraw/zinc/50/65/71/398506571.db2.gz YWWMZNJOIDDLOM-DNVCBOLYSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000305774254 398506574 /nfs/dbraw/zinc/50/65/74/398506574.db2.gz YWWMZNJOIDDLOM-DNVCBOLYSA-N 1 2 324.428 2.645 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592953652 398511493 /nfs/dbraw/zinc/51/14/93/398511493.db2.gz XEELRQJCWVGDRQ-MAUKXSAKSA-N 1 2 320.396 2.511 20 30 DFEDLO C=CCCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000279628463 215018716 /nfs/dbraw/zinc/01/87/16/215018716.db2.gz UJNRYWUYRQREGG-UHFFFAOYSA-N 1 2 305.397 2.619 20 30 DFEDLO N#CC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000596866199 398517844 /nfs/dbraw/zinc/51/78/44/398517844.db2.gz MDTLXYUVKIUDJG-HNNXBMFYSA-N 1 2 315.421 2.704 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000593035588 398527601 /nfs/dbraw/zinc/52/76/01/398527601.db2.gz VCDXWTGAEKOBNS-CYBMUJFWSA-N 1 2 315.373 3.000 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000593035588 398527605 /nfs/dbraw/zinc/52/76/05/398527605.db2.gz VCDXWTGAEKOBNS-CYBMUJFWSA-N 1 2 315.373 3.000 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CO1 ZINC000593058509 398533532 /nfs/dbraw/zinc/53/35/32/398533532.db2.gz NGRRXQNOMOVOBE-LSDHHAIUSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593059368 398534530 /nfs/dbraw/zinc/53/45/30/398534530.db2.gz PNEACHVPHMLTBO-CQSZACIVSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593059368 398534535 /nfs/dbraw/zinc/53/45/35/398534535.db2.gz PNEACHVPHMLTBO-CQSZACIVSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CO1 ZINC000593058509 398533536 /nfs/dbraw/zinc/53/35/36/398533536.db2.gz NGRRXQNOMOVOBE-LSDHHAIUSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)CO1 ZINC000593062480 398535631 /nfs/dbraw/zinc/53/56/31/398535631.db2.gz GTSJSZFZHYFVJZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)CO1 ZINC000593062480 398535637 /nfs/dbraw/zinc/53/56/37/398535637.db2.gz GTSJSZFZHYFVJZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272622490 210023386 /nfs/dbraw/zinc/02/33/86/210023386.db2.gz IZBVGAKKSAGTGZ-HNNXBMFYSA-N 1 2 312.373 2.698 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272622490 210023389 /nfs/dbraw/zinc/02/33/89/210023389.db2.gz IZBVGAKKSAGTGZ-HNNXBMFYSA-N 1 2 312.373 2.698 20 30 DFEDLO Cc1[nH+]cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)n1C ZINC000596997157 398543271 /nfs/dbraw/zinc/54/32/71/398543271.db2.gz ZYSSLYXKAJVSKE-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000597011819 398546662 /nfs/dbraw/zinc/54/66/62/398546662.db2.gz DZPSTPOFJKXVMT-UHFFFAOYSA-N 1 2 316.311 2.510 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000589511617 398559107 /nfs/dbraw/zinc/55/91/07/398559107.db2.gz YVENVBIUJIKRNF-AWEZNQCLSA-N 1 2 303.362 2.807 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000589511617 398559112 /nfs/dbraw/zinc/55/91/12/398559112.db2.gz YVENVBIUJIKRNF-AWEZNQCLSA-N 1 2 303.362 2.807 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC2(CCC2)[C@H]1C1CC1 ZINC000589605017 398562969 /nfs/dbraw/zinc/56/29/69/398562969.db2.gz AOXMDHIJBQSQDC-CQSZACIVSA-N 1 2 308.389 2.509 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000593155649 398560837 /nfs/dbraw/zinc/56/08/37/398560837.db2.gz NNFRNMUXRDGWSY-GOSISDBHSA-N 1 2 315.417 2.582 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000597131784 398572768 /nfs/dbraw/zinc/57/27/68/398572768.db2.gz WXNSGDAVNXPOJN-ORHBMQHOSA-N 1 2 316.470 2.973 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000597131784 398572772 /nfs/dbraw/zinc/57/27/72/398572772.db2.gz WXNSGDAVNXPOJN-ORHBMQHOSA-N 1 2 316.470 2.973 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000597132489 398573455 /nfs/dbraw/zinc/57/34/55/398573455.db2.gz IHUAZGLFDVMNND-KBPBESRZSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279895117 215214963 /nfs/dbraw/zinc/21/49/63/215214963.db2.gz UYTYDNJDLJMOCW-ADAWSYLGSA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279895117 215214967 /nfs/dbraw/zinc/21/49/67/215214967.db2.gz UYTYDNJDLJMOCW-ADAWSYLGSA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000597154538 398577382 /nfs/dbraw/zinc/57/73/82/398577382.db2.gz PFRNAEGWIONUPE-KGLIPLIRSA-N 1 2 301.390 2.568 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(C#N)n2)[nH+]1 ZINC000589842678 398579687 /nfs/dbraw/zinc/57/96/87/398579687.db2.gz IJNRTXPBARRJFR-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000597179310 398583115 /nfs/dbraw/zinc/58/31/15/398583115.db2.gz FYWJUXRTKRFGAT-GFCCVEGCSA-N 1 2 312.348 2.601 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000597179310 398583120 /nfs/dbraw/zinc/58/31/20/398583120.db2.gz FYWJUXRTKRFGAT-GFCCVEGCSA-N 1 2 312.348 2.601 20 30 DFEDLO C=CCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000279939109 215254979 /nfs/dbraw/zinc/25/49/79/215254979.db2.gz JIHFGXZTIZWEME-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c([N+](=O)[O-])cc1OC ZINC000597198583 398588481 /nfs/dbraw/zinc/58/84/81/398588481.db2.gz NEHINTNFJLDOPP-DGCLKSJQSA-N 1 2 319.361 2.784 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000590053268 398592750 /nfs/dbraw/zinc/59/27/50/398592750.db2.gz JVECOTIEZYFAPX-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(C(C)(C)C#N)cc2)n1 ZINC000350190929 398597649 /nfs/dbraw/zinc/59/76/49/398597649.db2.gz NFSZXHGFWPWBNO-UHFFFAOYSA-N 1 2 307.357 2.862 20 30 DFEDLO N#CCCCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350188767 398598017 /nfs/dbraw/zinc/59/80/17/398598017.db2.gz ZMSPZMYCRKHAIL-KGLIPLIRSA-N 1 2 304.394 2.622 20 30 DFEDLO N#CCCCCCc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350188767 398598020 /nfs/dbraw/zinc/59/80/20/398598020.db2.gz ZMSPZMYCRKHAIL-KGLIPLIRSA-N 1 2 304.394 2.622 20 30 DFEDLO N#CCCCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350188766 398598201 /nfs/dbraw/zinc/59/82/01/398598201.db2.gz ZMSPZMYCRKHAIL-KBPBESRZSA-N 1 2 304.394 2.622 20 30 DFEDLO N#CCCCCCc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350188766 398598210 /nfs/dbraw/zinc/59/82/10/398598210.db2.gz ZMSPZMYCRKHAIL-KBPBESRZSA-N 1 2 304.394 2.622 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000593392415 398617127 /nfs/dbraw/zinc/61/71/27/398617127.db2.gz INJSKNUSALUJAZ-SMDDNHRTSA-N 1 2 316.792 2.829 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593413689 398622133 /nfs/dbraw/zinc/62/21/33/398622133.db2.gz ZYRYWRLZLXTUFP-LBPRGKRZSA-N 1 2 309.373 2.561 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043627776 398626155 /nfs/dbraw/zinc/62/61/55/398626155.db2.gz LETLJTCAOMSIKP-SJCJKPOMSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043627776 398626157 /nfs/dbraw/zinc/62/61/57/398626157.db2.gz LETLJTCAOMSIKP-SJCJKPOMSA-N 1 2 323.387 2.840 20 30 DFEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000072657540 398628624 /nfs/dbraw/zinc/62/86/24/398628624.db2.gz QPYBADHUDVIZQZ-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000072688985 398629621 /nfs/dbraw/zinc/62/96/21/398629621.db2.gz NIITVUDTBWVYQR-UHFFFAOYSA-N 1 2 324.808 2.863 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000072688985 398629626 /nfs/dbraw/zinc/62/96/26/398629626.db2.gz NIITVUDTBWVYQR-UHFFFAOYSA-N 1 2 324.808 2.863 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000593462529 398635596 /nfs/dbraw/zinc/63/55/96/398635596.db2.gz VVRDYCYSPWXQRZ-CHWSQXEVSA-N 1 2 321.371 2.595 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000593462529 398635599 /nfs/dbraw/zinc/63/55/99/398635599.db2.gz VVRDYCYSPWXQRZ-CHWSQXEVSA-N 1 2 321.371 2.595 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000593462532 398636063 /nfs/dbraw/zinc/63/60/63/398636063.db2.gz VVRDYCYSPWXQRZ-STQMWFEESA-N 1 2 321.371 2.595 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000593462532 398636067 /nfs/dbraw/zinc/63/60/67/398636067.db2.gz VVRDYCYSPWXQRZ-STQMWFEESA-N 1 2 321.371 2.595 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000590638850 398643675 /nfs/dbraw/zinc/64/36/75/398643675.db2.gz FDZMRCSDEAIUJU-UHFFFAOYSA-N 1 2 304.390 2.600 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000590638850 398643678 /nfs/dbraw/zinc/64/36/78/398643678.db2.gz FDZMRCSDEAIUJU-UHFFFAOYSA-N 1 2 304.390 2.600 20 30 DFEDLO Cc1ccc([C@H](CNc2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000094148915 398654145 /nfs/dbraw/zinc/65/41/45/398654145.db2.gz NRHIFFCPCGKJFA-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO N#Cc1nc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000302760161 186742489 /nfs/dbraw/zinc/74/24/89/186742489.db2.gz XXOZYKSVIWEFLO-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590731747 398661546 /nfs/dbraw/zinc/66/15/46/398661546.db2.gz XTSOSNUHQQOPGU-INIZCTEOSA-N 1 2 311.385 2.925 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC(C)(C)CO)c1C#N ZINC000590748077 398664777 /nfs/dbraw/zinc/66/47/77/398664777.db2.gz PFEDAOVQMZGIMQ-UHFFFAOYSA-N 1 2 312.417 2.503 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC(C)(C)CO)c1C#N ZINC000590748077 398664779 /nfs/dbraw/zinc/66/47/79/398664779.db2.gz PFEDAOVQMZGIMQ-UHFFFAOYSA-N 1 2 312.417 2.503 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)nc1 ZINC000590754347 398666764 /nfs/dbraw/zinc/66/67/64/398666764.db2.gz ZWBICJOFCHLNQL-OAHLLOKOSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)nc1 ZINC000590754347 398666767 /nfs/dbraw/zinc/66/67/67/398666767.db2.gz ZWBICJOFCHLNQL-OAHLLOKOSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)nc1 ZINC000590754262 398667177 /nfs/dbraw/zinc/66/71/77/398667177.db2.gz KAZKTEMCMNONIS-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)nc1 ZINC000590754262 398667180 /nfs/dbraw/zinc/66/71/80/398667180.db2.gz KAZKTEMCMNONIS-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO C=CC[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281126030 334973529 /nfs/dbraw/zinc/97/35/29/334973529.db2.gz SQQKVPLZGWZIFT-ZDUSSCGKSA-N 1 2 314.345 2.865 20 30 DFEDLO CC1(C)C[C@@]1(C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597670305 398678394 /nfs/dbraw/zinc/67/83/94/398678394.db2.gz PSIRNXWTLUBHEN-KDOFPFPSSA-N 1 2 308.385 2.740 20 30 DFEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000072751725 191225997 /nfs/dbraw/zinc/22/59/97/191225997.db2.gz CFNYHLYICHEXRW-UHFFFAOYSA-N 1 2 307.313 2.997 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(C#N)cc1OC ZINC000590828955 398682996 /nfs/dbraw/zinc/68/29/96/398682996.db2.gz BTNDGAIUABWJNJ-NSHDSACASA-N 1 2 313.361 2.666 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219766 198196945 /nfs/dbraw/zinc/19/69/45/198196945.db2.gz JKNLLESLEIXGGP-BDAKNGLRSA-N 1 2 321.368 2.893 20 30 DFEDLO N#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000073511145 398684696 /nfs/dbraw/zinc/68/46/96/398684696.db2.gz FNVQYGUFBWHJBZ-LBPRGKRZSA-N 1 2 309.156 2.571 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000590912702 398699540 /nfs/dbraw/zinc/69/95/40/398699540.db2.gz QEXWGCJGZPSRGU-MRXNPFEDSA-N 1 2 323.400 2.846 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000593898746 398701548 /nfs/dbraw/zinc/70/15/48/398701548.db2.gz JHALPWWIHMFLIY-CQSZACIVSA-N 1 2 310.401 2.894 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOc2ccccc2[C@H]1C ZINC000590938093 398704130 /nfs/dbraw/zinc/70/41/30/398704130.db2.gz GBNSSISLBDZHKE-OAHLLOKOSA-N 1 2 302.418 2.867 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000590938093 398704134 /nfs/dbraw/zinc/70/41/34/398704134.db2.gz GBNSSISLBDZHKE-OAHLLOKOSA-N 1 2 302.418 2.867 20 30 DFEDLO CCOc1cccc(Cl)c1C[NH+]1CCN(CCC#N)CC1 ZINC000593968958 398710536 /nfs/dbraw/zinc/71/05/36/398710536.db2.gz PWDHHMXDQJMAQT-UHFFFAOYSA-N 1 2 307.825 2.770 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C#N)cc1 ZINC000046526351 398711617 /nfs/dbraw/zinc/71/16/17/398711617.db2.gz HYGBEEFTVAVPTR-UHFFFAOYSA-N 1 2 310.382 2.562 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C#N)cc1 ZINC000046526351 398711618 /nfs/dbraw/zinc/71/16/18/398711618.db2.gz HYGBEEFTVAVPTR-UHFFFAOYSA-N 1 2 310.382 2.562 20 30 DFEDLO CC(C)(C)n1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000593994704 398716334 /nfs/dbraw/zinc/71/63/34/398716334.db2.gz HFRKHVAJFHIAOA-HNNXBMFYSA-N 1 2 312.421 2.953 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000074158017 398727352 /nfs/dbraw/zinc/72/73/52/398727352.db2.gz NRPAUPWMEISKFO-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000332406954 234919637 /nfs/dbraw/zinc/91/96/37/234919637.db2.gz YFQZELSVVNKYBA-UHFFFAOYSA-N 1 2 320.396 2.533 20 30 DFEDLO CC[N@H+](CC(=O)N1CC(CC#N)C1)Cc1ccccc1Cl ZINC000598025135 398738949 /nfs/dbraw/zinc/73/89/49/398738949.db2.gz RQMRUVPWLCGILM-UHFFFAOYSA-N 1 2 305.809 2.534 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC(CC#N)C1)Cc1ccccc1Cl ZINC000598025135 398738953 /nfs/dbraw/zinc/73/89/53/398738953.db2.gz RQMRUVPWLCGILM-UHFFFAOYSA-N 1 2 305.809 2.534 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000591322696 398748973 /nfs/dbraw/zinc/74/89/73/398748973.db2.gz IFTNJRAEWQJWMK-WBVHZDCISA-N 1 2 320.396 2.511 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000598089665 398752120 /nfs/dbraw/zinc/75/21/20/398752120.db2.gz XJUMJMSCKRFUAI-WMZOPIPTSA-N 1 2 322.412 2.672 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000047624091 398755320 /nfs/dbraw/zinc/75/53/20/398755320.db2.gz GUPCRMDDJREQPT-INIZCTEOSA-N 1 2 305.381 2.918 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000081032503 192216691 /nfs/dbraw/zinc/21/66/91/192216691.db2.gz QIVJZUSWOUMUHM-UHFFFAOYSA-N 1 2 305.341 2.550 20 30 DFEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)nc1 ZINC000358266240 283169712 /nfs/dbraw/zinc/16/97/12/283169712.db2.gz SUJHDCBHSIIWCB-UHFFFAOYSA-N 1 2 319.343 2.841 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000594245541 398773442 /nfs/dbraw/zinc/77/34/42/398773442.db2.gz GNWZXFHWGMLNHI-ZDUSSCGKSA-N 1 2 301.390 2.624 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C#N)nc3ccccc32)C1 ZINC000591632479 398777919 /nfs/dbraw/zinc/77/79/19/398777919.db2.gz UOSWVWIZZKTKEX-DYVFJYSZSA-N 1 2 319.368 2.796 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594333843 398783690 /nfs/dbraw/zinc/78/36/90/398783690.db2.gz VPAKHERSRNSKDR-RDJZCZTQSA-N 1 2 321.371 2.910 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594333843 398783692 /nfs/dbraw/zinc/78/36/92/398783692.db2.gz VPAKHERSRNSKDR-RDJZCZTQSA-N 1 2 321.371 2.910 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000591827487 398793309 /nfs/dbraw/zinc/79/33/09/398793309.db2.gz JOLLPPUXADWPRJ-WMLDXEAASA-N 1 2 322.347 2.789 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000075299568 398796552 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CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598589600 398836627 /nfs/dbraw/zinc/83/66/27/398836627.db2.gz GZRUIVMKZXLBIN-OLZOCXBDSA-N 1 2 306.410 2.631 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C#N)cc1 ZINC000076077416 398837467 /nfs/dbraw/zinc/83/74/67/398837467.db2.gz HPVMVFLYBHUBDE-XJKSGUPXSA-N 1 2 323.400 2.932 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000598591667 398837928 /nfs/dbraw/zinc/83/79/28/398837928.db2.gz YBAHJANPVOHUIH-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594622950 398834933 /nfs/dbraw/zinc/83/49/33/398834933.db2.gz KLWKAQLVDSQXRK-UHFFFAOYSA-N 1 2 305.381 2.776 20 30 DFEDLO CN(C)C(=O)c1ccccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594622950 398834935 /nfs/dbraw/zinc/83/49/35/398834935.db2.gz KLWKAQLVDSQXRK-UHFFFAOYSA-N 1 2 305.381 2.776 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598604358 398839942 /nfs/dbraw/zinc/83/99/42/398839942.db2.gz 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/nfs/dbraw/zinc/84/77/45/398847745.db2.gz WVCUENUOTXJSSA-LBPRGKRZSA-N 1 2 304.357 2.821 20 30 DFEDLO N#CC1(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CCCCC1 ZINC000594718081 398847947 /nfs/dbraw/zinc/84/79/47/398847947.db2.gz PVPWLDVKVOARPU-OAHLLOKOSA-N 1 2 319.836 2.800 20 30 DFEDLO C[C@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)N(C)CCC#N ZINC000598651153 398848401 /nfs/dbraw/zinc/84/84/01/398848401.db2.gz WSFSXIYKBUXSCX-AAEUAGOBSA-N 1 2 301.381 2.551 20 30 DFEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598726165 398862864 /nfs/dbraw/zinc/86/28/64/398862864.db2.gz OKOXMLMUDQBTKW-MRXNPFEDSA-N 1 2 317.433 2.544 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOc2ccccc2C1 ZINC000077233831 398892119 /nfs/dbraw/zinc/89/21/19/398892119.db2.gz KWXLXRNQMFMEDK-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOc2ccccc2C1 ZINC000077233831 398892121 /nfs/dbraw/zinc/89/21/21/398892121.db2.gz KWXLXRNQMFMEDK-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO 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314.433 2.848 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595434172 398937512 /nfs/dbraw/zinc/93/75/12/398937512.db2.gz YZDWMQIQLVWQPU-GOSISDBHSA-N 1 2 314.433 2.848 20 30 DFEDLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599300344 398950804 /nfs/dbraw/zinc/95/08/04/398950804.db2.gz PMSCEKRETNYAOW-OCCSQVGLSA-N 1 2 323.462 2.727 20 30 DFEDLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599300344 398950805 /nfs/dbraw/zinc/95/08/05/398950805.db2.gz PMSCEKRETNYAOW-OCCSQVGLSA-N 1 2 323.462 2.727 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980823 291238947 /nfs/dbraw/zinc/23/89/47/291238947.db2.gz ZMSVPQYFDCBTPU-RKVPGOIHSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980823 291238951 /nfs/dbraw/zinc/23/89/51/291238951.db2.gz ZMSVPQYFDCBTPU-RKVPGOIHSA-N 1 2 319.832 2.960 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599346373 398957644 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N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000595616130 399003204 /nfs/dbraw/zinc/00/32/04/399003204.db2.gz PYZVDHDMWNGOLT-SWLSCSKDSA-N 1 2 319.355 2.696 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000595619481 399004681 /nfs/dbraw/zinc/00/46/81/399004681.db2.gz BSTOQJXOEYSKRN-CQSZACIVSA-N 1 2 324.421 2.615 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000595619481 399004683 /nfs/dbraw/zinc/00/46/83/399004683.db2.gz BSTOQJXOEYSKRN-CQSZACIVSA-N 1 2 324.421 2.615 20 30 DFEDLO CCc1noc(C)c1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630011 399010563 /nfs/dbraw/zinc/01/05/63/399010563.db2.gz CRGFTNCARPFJMW-UHFFFAOYSA-N 1 2 316.430 2.801 20 30 DFEDLO C=C1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000275478692 212358870 /nfs/dbraw/zinc/35/88/70/212358870.db2.gz PZYNBRRUTHOLPV-UHFFFAOYSA-N 1 2 312.369 2.789 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)NCC2(C#N)CCCCC2)c2[nH+]ccn21 ZINC000595645164 399017505 /nfs/dbraw/zinc/01/75/05/399017505.db2.gz 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301.365 2.523 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702742 399045810 /nfs/dbraw/zinc/04/58/10/399045810.db2.gz JNIGBAJOLFRVBF-WFASDCNBSA-N 1 2 301.365 2.523 20 30 DFEDLO COC(=O)[C@@]1([NH2+]CCOc2cccc(C#N)c2)CC[C@@H](C)CC1 ZINC000595708929 399049124 /nfs/dbraw/zinc/04/91/24/399049124.db2.gz VRHVLIVNQCOJPT-PPUGGXLSSA-N 1 2 316.401 2.649 20 30 DFEDLO C=CCOc1ccccc1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000171888674 399062876 /nfs/dbraw/zinc/06/28/76/399062876.db2.gz LQCJOIABOGPHHO-UHFFFAOYSA-N 1 2 321.380 2.758 20 30 DFEDLO N#CC1CC[NH+](CC(=O)NCCCSc2ccccc2)CC1 ZINC000057906444 399070713 /nfs/dbraw/zinc/07/07/13/399070713.db2.gz DCHOLWHPHDCRRG-UHFFFAOYSA-N 1 2 317.458 2.521 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2nncn2CC)ccc1OC ZINC000057963822 399071515 /nfs/dbraw/zinc/07/15/15/399071515.db2.gz PLMZPXGRPVGZKP-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO COc1ccc(OC)c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000092142951 193167767 /nfs/dbraw/zinc/16/77/67/193167767.db2.gz 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ZINC000599754520 399083851 /nfs/dbraw/zinc/08/38/51/399083851.db2.gz AGPMHPSMZROVAR-OAHLLOKOSA-N 1 2 319.836 2.970 20 30 DFEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)OCC ZINC000283055732 335000289 /nfs/dbraw/zinc/00/02/89/335000289.db2.gz QOWGJFPVVZRSPW-OAHLLOKOSA-N 1 2 316.405 2.939 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C#N ZINC000595817281 399097049 /nfs/dbraw/zinc/09/70/49/399097049.db2.gz IYFSBXXFJKTWRD-NSHDSACASA-N 1 2 304.781 2.774 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C#N ZINC000595817281 399097056 /nfs/dbraw/zinc/09/70/56/399097056.db2.gz IYFSBXXFJKTWRD-NSHDSACASA-N 1 2 304.781 2.774 20 30 DFEDLO C=CC[N@H+](Cc1cccc2ccoc21)[C@H]1CCS(=O)(=O)C1 ZINC000563779991 335006324 /nfs/dbraw/zinc/00/63/24/335006324.db2.gz IWQDDEWVPXVAQJ-HNNXBMFYSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1cccc2ccoc21)[C@H]1CCS(=O)(=O)C1 ZINC000563779991 335006326 /nfs/dbraw/zinc/00/63/26/335006326.db2.gz IWQDDEWVPXVAQJ-HNNXBMFYSA-N 1 2 305.399 2.608 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000080040447 399110762 /nfs/dbraw/zinc/11/07/62/399110762.db2.gz UYILWCWOYSMKSV-GFCCVEGCSA-N 1 2 309.360 2.720 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000080040447 399110765 /nfs/dbraw/zinc/11/07/65/399110765.db2.gz UYILWCWOYSMKSV-GFCCVEGCSA-N 1 2 309.360 2.720 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)o1 ZINC000093393568 193243106 /nfs/dbraw/zinc/24/31/06/193243106.db2.gz JQQATMBEDGQFAE-UHFFFAOYSA-N 1 2 303.312 2.752 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000263859970 203604510 /nfs/dbraw/zinc/60/45/10/203604510.db2.gz VAWHVXSYEZFHHG-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000600120100 399141683 /nfs/dbraw/zinc/14/16/83/399141683.db2.gz GZVJGCCHQKIQDT-LLVKDONJSA-N 1 2 303.406 2.932 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000600120100 399141686 /nfs/dbraw/zinc/14/16/86/399141686.db2.gz GZVJGCCHQKIQDT-LLVKDONJSA-N 1 2 303.406 2.932 20 30 DFEDLO N#Cc1ccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c(CO)c1 ZINC000600781402 399144562 /nfs/dbraw/zinc/14/45/62/399144562.db2.gz ZIXFUWRXDNGRRC-INIZCTEOSA-N 1 2 309.369 2.703 20 30 DFEDLO COc1cc(Br)c(C[NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000183832010 399155022 /nfs/dbraw/zinc/15/50/22/399155022.db2.gz KYABYTFFKCEZRB-SECBINFHSA-N 1 2 313.195 2.716 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184505712 399158042 /nfs/dbraw/zinc/15/80/42/399158042.db2.gz WTYAVOFSRKJGBM-LBPRGKRZSA-N 1 2 322.478 2.853 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278172394 214003270 /nfs/dbraw/zinc/00/32/70/214003270.db2.gz UVVPZYHDWVUOTG-MGPQQGTHSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278172394 214003281 /nfs/dbraw/zinc/00/32/81/214003281.db2.gz UVVPZYHDWVUOTG-MGPQQGTHSA-N 1 2 307.394 2.649 20 30 DFEDLO Cc1nc(CN2CC[NH+](CC#Cc3ccccc3)CC2)cs1 ZINC000191894572 335016421 /nfs/dbraw/zinc/01/64/21/335016421.db2.gz CEFOZZKUYYFSHJ-UHFFFAOYSA-N 1 2 311.454 2.621 20 30 DFEDLO C#CCN(C(=O)NCCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000062477366 399170981 /nfs/dbraw/zinc/17/09/81/399170981.db2.gz UNHKRNIATFCMEA-UHFFFAOYSA-N 1 2 324.428 2.854 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596111938 399177092 /nfs/dbraw/zinc/17/70/92/399177092.db2.gz DVJWQXCXOQXDBD-OAHLLOKOSA-N 1 2 304.357 2.539 20 30 DFEDLO N#CC1(Cc2cn(Cc3cn4ccccc4[nH+]3)nn2)CCCCC1 ZINC000600973853 399191901 /nfs/dbraw/zinc/19/19/01/399191901.db2.gz YZDVOZMNULUEFV-UHFFFAOYSA-N 1 2 320.400 2.991 20 30 DFEDLO C[C@@H]1CCN(c2nc3ncccc3cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000596157858 399195902 /nfs/dbraw/zinc/19/59/02/399195902.db2.gz IDZWPTRPOYRARI-CZUORRHYSA-N 1 2 318.384 2.785 20 30 DFEDLO N#CCc1ccccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000600989360 399196553 /nfs/dbraw/zinc/19/65/53/399196553.db2.gz BTBBMZQLYREFGG-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000081040908 399207247 /nfs/dbraw/zinc/20/72/47/399207247.db2.gz PIAZJRJYTYBFDC-CQSZACIVSA-N 1 2 316.405 2.576 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000081040908 399207251 /nfs/dbraw/zinc/20/72/51/399207251.db2.gz PIAZJRJYTYBFDC-CQSZACIVSA-N 1 2 316.405 2.576 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(C#N)CCCC1 ZINC000081088860 399210585 /nfs/dbraw/zinc/21/05/85/399210585.db2.gz PAEWTFXPYXRJDZ-UHFFFAOYSA-N 1 2 322.412 2.974 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)C[C@H](C)C#N ZINC000064249176 399218021 /nfs/dbraw/zinc/21/80/21/399218021.db2.gz GWGBCVKKIWSFED-CABCVRRESA-N 1 2 317.433 2.696 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)C[C@H](C)C#N ZINC000064249176 399218024 /nfs/dbraw/zinc/21/80/24/399218024.db2.gz GWGBCVKKIWSFED-CABCVRRESA-N 1 2 317.433 2.696 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614402025 399225839 /nfs/dbraw/zinc/22/58/39/399225839.db2.gz IFDBWHBHDSPXIL-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614402025 399225847 /nfs/dbraw/zinc/22/58/47/399225847.db2.gz IFDBWHBHDSPXIL-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000192237860 335023930 /nfs/dbraw/zinc/02/39/30/335023930.db2.gz JMHWVAURHLVERI-QWRGUYRKSA-N 1 2 315.442 2.735 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000192237860 335023931 /nfs/dbraw/zinc/02/39/31/335023931.db2.gz JMHWVAURHLVERI-QWRGUYRKSA-N 1 2 315.442 2.735 20 30 DFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000618789332 399236474 /nfs/dbraw/zinc/23/64/74/399236474.db2.gz HLRFEZGEZQPVON-QGZVFWFLSA-N 1 2 316.364 2.552 20 30 DFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000618789330 399236732 /nfs/dbraw/zinc/23/67/32/399236732.db2.gz HLRFEZGEZQPVON-KRWDZBQOSA-N 1 2 316.364 2.552 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000286343119 335033157 /nfs/dbraw/zinc/03/31/57/335033157.db2.gz XMVGFVJCCDBWEF-UHFFFAOYSA-N 1 2 302.809 2.979 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000286343119 335033158 /nfs/dbraw/zinc/03/31/58/335033158.db2.gz XMVGFVJCCDBWEF-UHFFFAOYSA-N 1 2 302.809 2.979 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220719 399257504 /nfs/dbraw/zinc/25/75/04/399257504.db2.gz ACIIWZZFPMXXGL-GWCFXTLKSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220719 399257506 /nfs/dbraw/zinc/25/75/06/399257506.db2.gz ACIIWZZFPMXXGL-GWCFXTLKSA-N 1 2 317.216 2.967 20 30 DFEDLO Cc1c([C@@H](C)[NH+]2CCN(CCC#N)CC2)cnn1C(C)(C)C ZINC000601317024 399276431 /nfs/dbraw/zinc/27/64/31/399276431.db2.gz UKGRHEVGYHWXNC-CQSZACIVSA-N 1 2 303.454 2.539 20 30 DFEDLO C[C@@H](c1cnn(Cc2ccccc2)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601315431 399275707 /nfs/dbraw/zinc/27/57/07/399275707.db2.gz JYUZQXQVKKTAFX-KRWDZBQOSA-N 1 2 323.444 2.524 20 30 DFEDLO C[C@H](C#N)CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000601367841 399282427 /nfs/dbraw/zinc/28/24/27/399282427.db2.gz BVNFRULNUOPMFQ-CQSZACIVSA-N 1 2 308.385 2.565 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608847747 399299157 /nfs/dbraw/zinc/29/91/57/399299157.db2.gz CJOLVSRUVZEREP-UHFFFAOYSA-N 1 2 320.352 2.704 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601669240 399317584 /nfs/dbraw/zinc/31/75/84/399317584.db2.gz SEDHRNXRLOJYKJ-DOTOQJQBSA-N 1 2 308.385 2.613 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609552812 399322772 /nfs/dbraw/zinc/32/27/72/399322772.db2.gz ARDXECGMKXTRIR-OAHLLOKOSA-N 1 2 309.373 2.932 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000609625858 399327011 /nfs/dbraw/zinc/32/70/11/399327011.db2.gz LJCOKWOGHQZFMR-GOSISDBHSA-N 1 2 323.444 2.674 20 30 DFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618969 399326383 /nfs/dbraw/zinc/32/63/83/399326383.db2.gz RCWKSEUCUVXFSN-LBPRGKRZSA-N 1 2 306.325 2.612 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004483 399338548 /nfs/dbraw/zinc/33/85/48/399338548.db2.gz MEXYFZWAGIKKDG-FZKQIMNGSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004483 399338550 /nfs/dbraw/zinc/33/85/50/399338550.db2.gz MEXYFZWAGIKKDG-FZKQIMNGSA-N 1 2 317.408 2.799 20 30 DFEDLO Cc1cn2cc(NC(=O)NCc3cccc(C#N)c3)ccc2[nH+]1 ZINC000610018541 399339352 /nfs/dbraw/zinc/33/93/52/399339352.db2.gz DHCRSWRMRJZDOX-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(C#N)c1 ZINC000610066031 399340983 /nfs/dbraw/zinc/34/09/83/399340983.db2.gz PUZNJLYSEGXJKZ-UHFFFAOYSA-N 1 2 318.380 2.900 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cn1)C1CCOCC1 ZINC000284619274 218102522 /nfs/dbraw/zinc/10/25/22/218102522.db2.gz RPZTVYNSZMQPJS-INIZCTEOSA-N 1 2 311.389 2.749 20 30 DFEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nncn1C ZINC000273945926 211199316 /nfs/dbraw/zinc/19/93/16/211199316.db2.gz DXMVFNFLEGUTIF-NSHDSACASA-N 1 2 308.307 2.536 20 30 DFEDLO CC[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccncc1 ZINC000610279188 399353263 /nfs/dbraw/zinc/35/32/63/399353263.db2.gz CTRRPQOMEDTTDM-AWEZNQCLSA-N 1 2 307.361 2.698 20 30 DFEDLO N#Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105120293 194075463 /nfs/dbraw/zinc/07/54/63/194075463.db2.gz VSCFCNRJJOTPLP-UHFFFAOYSA-N 1 2 323.400 2.645 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc(C#N)c1 ZINC000610347612 399358720 /nfs/dbraw/zinc/35/87/20/399358720.db2.gz UWTWRWRQBPHIKM-CYBMUJFWSA-N 1 2 323.400 2.580 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000610408334 399365093 /nfs/dbraw/zinc/36/50/93/399365093.db2.gz TUKQFPPNRFJYHS-YOEHRIQHSA-N 1 2 323.400 2.862 20 30 DFEDLO CCS[C@@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610489345 399372522 /nfs/dbraw/zinc/37/25/22/399372522.db2.gz JGPLFJICLKDOPY-QWHCGFSZSA-N 1 2 316.434 2.826 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000619670893 399374798 /nfs/dbraw/zinc/37/47/98/399374798.db2.gz FOJHKZHTABFKDY-GPANFISMSA-N 1 2 315.421 2.560 20 30 DFEDLO C=C[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000619700553 399379568 /nfs/dbraw/zinc/37/95/68/399379568.db2.gz BJSBUOJBJGBLOF-ZDUSSCGKSA-N 1 2 301.308 2.955 20 30 DFEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N1CCCC[C@@H]1C ZINC000602003322 399380550 /nfs/dbraw/zinc/38/05/50/399380550.db2.gz UDPILVAKCIVJRY-STQMWFEESA-N 1 2 303.381 2.576 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778523 399382014 /nfs/dbraw/zinc/38/20/14/399382014.db2.gz MXHDCAZJJXRMNN-OLZOCXBDSA-N 1 2 318.446 2.539 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778523 399382016 /nfs/dbraw/zinc/38/20/16/399382016.db2.gz MXHDCAZJJXRMNN-OLZOCXBDSA-N 1 2 318.446 2.539 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000615787957 399382386 /nfs/dbraw/zinc/38/23/86/399382386.db2.gz VJFGCTYCIPTYBI-SWLSCSKDSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000615787957 399382389 /nfs/dbraw/zinc/38/23/89/399382389.db2.gz VJFGCTYCIPTYBI-SWLSCSKDSA-N 1 2 301.365 2.523 20 30 DFEDLO C=C[C@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000619734836 399384755 /nfs/dbraw/zinc/38/47/55/399384755.db2.gz UKZJCECOPZWKPR-IRXDYDNUSA-N 1 2 313.401 2.558 20 30 DFEDLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH+]1 ZINC000602103802 399394747 /nfs/dbraw/zinc/39/47/47/399394747.db2.gz CTAKKESDIXXQNJ-SJORKVTESA-N 1 2 322.412 2.813 20 30 DFEDLO N#CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCCC1 ZINC000602102233 399395077 /nfs/dbraw/zinc/39/50/77/399395077.db2.gz GVVGCTZBGDKOFS-LBPRGKRZSA-N 1 2 314.311 2.671 20 30 DFEDLO CCc1nnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000610715383 399396909 /nfs/dbraw/zinc/39/69/09/399396909.db2.gz GNINZRXPOIMOAW-CYBMUJFWSA-N 1 2 310.405 2.511 20 30 DFEDLO C[C@H](CC#N)N(C)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000610728920 399398643 /nfs/dbraw/zinc/39/86/43/399398643.db2.gz XSWUEZMJIZGSDQ-SNVBAGLBSA-N 1 2 307.195 2.831 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000623497143 399402640 /nfs/dbraw/zinc/40/26/40/399402640.db2.gz ZNAAKGOKQNFMBU-OAHLLOKOSA-N 1 2 310.401 2.980 20 30 DFEDLO CC(C)C[C@H](C(=O)N1CCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162859 399403733 /nfs/dbraw/zinc/40/37/33/399403733.db2.gz SZBAQRXMHOPBJL-QGZVFWFLSA-N 1 2 308.385 2.931 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000610786440 399406248 /nfs/dbraw/zinc/40/62/48/399406248.db2.gz FCUXGFKAASWESB-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000610786440 399406250 /nfs/dbraw/zinc/40/62/50/399406250.db2.gz FCUXGFKAASWESB-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)sn1 ZINC000616009372 399411222 /nfs/dbraw/zinc/41/12/22/399411222.db2.gz JUYVDDMLMACZOH-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000610966486 399422408 /nfs/dbraw/zinc/42/24/08/399422408.db2.gz VWTVKNLXPFBBOA-SFHVURJKSA-N 1 2 320.396 2.600 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000602327539 399424645 /nfs/dbraw/zinc/42/46/45/399424645.db2.gz QPUUBFULOGEXGZ-HNNXBMFYSA-N 1 2 309.373 2.500 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccn1 ZINC000610991607 399425803 /nfs/dbraw/zinc/42/58/03/399425803.db2.gz SYEKUGOXVHAZRP-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccn1 ZINC000610991607 399425806 /nfs/dbraw/zinc/42/58/06/399425806.db2.gz SYEKUGOXVHAZRP-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO COc1cccc([C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CCO2)c1 ZINC000610994532 399427213 /nfs/dbraw/zinc/42/72/13/399427213.db2.gz SVPMQNSUEUALPW-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cccc([C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CCO2)c1 ZINC000610994532 399427215 /nfs/dbraw/zinc/42/72/15/399427215.db2.gz SVPMQNSUEUALPW-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO N#CC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000060614696 184153001 /nfs/dbraw/zinc/15/30/01/184153001.db2.gz KILBLIDBKTWUSA-UHFFFAOYSA-N 1 2 308.385 2.888 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000602425743 399440981 /nfs/dbraw/zinc/44/09/81/399440981.db2.gz UYLFTBJACQHRIO-GOSISDBHSA-N 1 2 324.403 2.790 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N(CC(F)F)CC1CCC1 ZINC000611182495 399442776 /nfs/dbraw/zinc/44/27/76/399442776.db2.gz BWBKBHGERFVDKN-UHFFFAOYSA-N 1 2 320.347 2.612 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3N)CC2)cc1 ZINC000602433508 399442274 /nfs/dbraw/zinc/44/22/74/399442274.db2.gz LRPGUBHXLNMQMA-UHFFFAOYSA-N 1 2 324.403 2.597 20 30 DFEDLO CC(C)[N@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602446477 399445740 /nfs/dbraw/zinc/44/57/40/399445740.db2.gz CZEXCGXEZMAPTD-UHFFFAOYSA-N 1 2 322.210 2.616 20 30 DFEDLO CC(C)[N@@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602446477 399445744 /nfs/dbraw/zinc/44/57/44/399445744.db2.gz CZEXCGXEZMAPTD-UHFFFAOYSA-N 1 2 322.210 2.616 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000602474964 399455064 /nfs/dbraw/zinc/45/50/64/399455064.db2.gz JWTPWTJVPZVJOD-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000602474964 399455066 /nfs/dbraw/zinc/45/50/66/399455066.db2.gz JWTPWTJVPZVJOD-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623746276 399457014 /nfs/dbraw/zinc/45/70/14/399457014.db2.gz BBPWMJRWDJIKHP-AWEZNQCLSA-N 1 2 312.417 2.570 20 30 DFEDLO Cc1ccncc1[C@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000611299267 399459730 /nfs/dbraw/zinc/45/97/30/399459730.db2.gz ZIMGQWDJHTVBTI-LBPRGKRZSA-N 1 2 307.361 2.617 20 30 DFEDLO CCOC(=O)c1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)on1 ZINC000602584281 399483271 /nfs/dbraw/zinc/48/32/71/399483271.db2.gz ZBYFDGGMGPOISQ-UHFFFAOYSA-N 1 2 311.341 2.502 20 30 DFEDLO Cc1ccncc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551102 399490525 /nfs/dbraw/zinc/49/05/25/399490525.db2.gz HUJXXJUTURXESJ-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C2 ZINC000611567566 399492933 /nfs/dbraw/zinc/49/29/33/399492933.db2.gz DAZDLTSDOZYFJD-CYBMUJFWSA-N 1 2 302.422 2.611 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000611567566 399492936 /nfs/dbraw/zinc/49/29/36/399492936.db2.gz DAZDLTSDOZYFJD-CYBMUJFWSA-N 1 2 302.422 2.611 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578162 399495749 /nfs/dbraw/zinc/49/57/49/399495749.db2.gz NVPRUFOWCOWFHI-BXUZGUMPSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578162 399495753 /nfs/dbraw/zinc/49/57/53/399495753.db2.gz NVPRUFOWCOWFHI-BXUZGUMPSA-N 1 2 323.343 2.589 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000602644372 399500468 /nfs/dbraw/zinc/50/04/68/399500468.db2.gz MVHNUPIVVDZMSF-QSPRXWTASA-N 1 2 303.402 2.512 20 30 DFEDLO C=CCOC[C@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OC ZINC000602645833 399500592 /nfs/dbraw/zinc/50/05/92/399500592.db2.gz TZBBEYSZYKDRFQ-SOLBZPMBSA-N 1 2 303.402 2.514 20 30 DFEDLO N#C[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)C[C@H]1c1ccccc1 ZINC000602670604 399512320 /nfs/dbraw/zinc/51/23/20/399512320.db2.gz AAJBLSBIIRYRAM-WBVHZDCISA-N 1 2 321.380 2.592 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cc3c(cn2)OCCO3)C[C@H]1c1ccccc1 ZINC000602670604 399512324 /nfs/dbraw/zinc/51/23/24/399512324.db2.gz AAJBLSBIIRYRAM-WBVHZDCISA-N 1 2 321.380 2.592 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)C[C@H]1c1ccccc1 ZINC000602670604 399512326 /nfs/dbraw/zinc/51/23/26/399512326.db2.gz AAJBLSBIIRYRAM-WBVHZDCISA-N 1 2 321.380 2.592 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269984051 208035414 /nfs/dbraw/zinc/03/54/14/208035414.db2.gz RUSLHCVWVJBERI-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cccc(C#N)n1)CC1CC1 ZINC000602697230 399525282 /nfs/dbraw/zinc/52/52/82/399525282.db2.gz DZAPCZJGCSRKPC-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)(C)OC(=O)C[N@H+](Cc1cccc(C#N)n1)CC1CC1 ZINC000602697230 399525289 /nfs/dbraw/zinc/52/52/89/399525289.db2.gz DZAPCZJGCSRKPC-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO COc1nsc(C[NH2+]CC2(C#N)CCC2)c1Br ZINC000602698033 399525320 /nfs/dbraw/zinc/52/53/20/399525320.db2.gz WVFUIQMBSNHASO-UHFFFAOYSA-N 1 2 316.224 2.698 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602707278 399531628 /nfs/dbraw/zinc/53/16/28/399531628.db2.gz SCTMDYSBNAJADV-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602707278 399531634 /nfs/dbraw/zinc/53/16/34/399531634.db2.gz SCTMDYSBNAJADV-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO COC(=O)c1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)[nH]c1C ZINC000602730558 399544528 /nfs/dbraw/zinc/54/45/28/399544528.db2.gz PSIKUBANLBGYJP-UHFFFAOYSA-N 1 2 323.396 2.734 20 30 DFEDLO COC(=O)c1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)[nH]c1C ZINC000602730558 399544530 /nfs/dbraw/zinc/54/45/30/399544530.db2.gz PSIKUBANLBGYJP-UHFFFAOYSA-N 1 2 323.396 2.734 20 30 DFEDLO C=CCCCC[C@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624084165 399547669 /nfs/dbraw/zinc/54/76/69/399547669.db2.gz UGXGPWIUNOYCIK-AWEZNQCLSA-N 1 2 301.438 2.968 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771156 399565606 /nfs/dbraw/zinc/56/56/06/399565606.db2.gz DZDMJZUWQKUCHO-MFKMUULPSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771156 399565613 /nfs/dbraw/zinc/56/56/13/399565613.db2.gz DZDMJZUWQKUCHO-MFKMUULPSA-N 1 2 317.216 2.825 20 30 DFEDLO COc1ccccc1C[N@@H+](CC#Cc1ccc(F)cc1)CCO ZINC000158214127 197253921 /nfs/dbraw/zinc/25/39/21/197253921.db2.gz IRBRMPMBWGRKTA-UHFFFAOYSA-N 1 2 313.372 2.680 20 30 DFEDLO COc1ccccc1C[N@H+](CC#Cc1ccc(F)cc1)CCO ZINC000158214127 197253923 /nfs/dbraw/zinc/25/39/23/197253923.db2.gz IRBRMPMBWGRKTA-UHFFFAOYSA-N 1 2 313.372 2.680 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccns2)CC1 ZINC000602802392 399581022 /nfs/dbraw/zinc/58/10/22/399581022.db2.gz QSIOOTMCMSCQJZ-INIZCTEOSA-N 1 2 316.405 2.665 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163154 399595241 /nfs/dbraw/zinc/59/52/41/399595241.db2.gz OSJLUIICIAOZLD-LFRCEIEQSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163154 399595246 /nfs/dbraw/zinc/59/52/46/399595246.db2.gz OSJLUIICIAOZLD-LFRCEIEQSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000612163036 399595556 /nfs/dbraw/zinc/59/55/56/399595556.db2.gz NJSSIWWUAUDONJ-LZLYRXPVSA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000612163036 399595559 /nfs/dbraw/zinc/59/55/59/399595559.db2.gz NJSSIWWUAUDONJ-LZLYRXPVSA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000612166189 399596798 /nfs/dbraw/zinc/59/67/98/399596798.db2.gz BVFTUOYGCRFUBN-CZUORRHYSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000612166189 399596802 /nfs/dbraw/zinc/59/68/02/399596802.db2.gz BVFTUOYGCRFUBN-CZUORRHYSA-N 1 2 308.809 2.705 20 30 DFEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000271547431 209001597 /nfs/dbraw/zinc/00/15/97/209001597.db2.gz ZSAHQELVBYUDNK-UHFFFAOYSA-N 1 2 300.406 2.542 20 30 DFEDLO C[C@H]1C[NH+](Cc2csc(C(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602854243 399603139 /nfs/dbraw/zinc/60/31/39/399603139.db2.gz AQOGTDGTOZVGBC-STQMWFEESA-N 1 2 306.479 2.859 20 30 DFEDLO C=CCN(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000155250606 197036341 /nfs/dbraw/zinc/03/63/41/197036341.db2.gz UFIJOLNQLKIVON-UHFFFAOYSA-N 1 2 312.417 2.843 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000602860695 399606183 /nfs/dbraw/zinc/60/61/83/399606183.db2.gz FIQZGUQYHPMDPR-JTQLQIEISA-N 1 2 314.216 2.844 20 30 DFEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860710 399606492 /nfs/dbraw/zinc/60/64/92/399606492.db2.gz DOUKQHYEVWPTEN-HUUCEWRRSA-N 1 2 301.434 2.954 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000602865231 399607770 /nfs/dbraw/zinc/60/77/70/399607770.db2.gz VEFFPSDQUPGCMR-OLZOCXBDSA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccc(Br)cc1 ZINC000602866134 399608966 /nfs/dbraw/zinc/60/89/66/399608966.db2.gz YPFFMMVTDRFSDZ-WDEREUQCSA-N 1 2 324.222 2.518 20 30 DFEDLO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c2)cs1 ZINC000602867909 399608534 /nfs/dbraw/zinc/60/85/34/399608534.db2.gz FODHODNUFARDCK-NSHDSACASA-N 1 2 314.414 2.949 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000602870571 399610394 /nfs/dbraw/zinc/61/03/94/399610394.db2.gz UNQQEBGVFFXPRJ-CYBMUJFWSA-N 1 2 323.400 2.580 20 30 DFEDLO Cc1noc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602894952 399618937 /nfs/dbraw/zinc/61/89/37/399618937.db2.gz FASIVAKSKZIIOS-LBPRGKRZSA-N 1 2 311.389 2.887 20 30 DFEDLO Cc1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]c1C ZINC000602898550 399619840 /nfs/dbraw/zinc/61/98/40/399619840.db2.gz GIXZLSHPCYRHJL-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO Cc1[nH]c(CN2CCC(Nc3ccccc3C#N)CC2)[nH+]c1C ZINC000602898550 399619845 /nfs/dbraw/zinc/61/98/45/399619845.db2.gz GIXZLSHPCYRHJL-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(CC4CC4)no3)CC2)nc1 ZINC000602906221 399621507 /nfs/dbraw/zinc/62/15/07/399621507.db2.gz JRDCAFJNQPIDEA-UHFFFAOYSA-N 1 2 323.400 2.668 20 30 DFEDLO COC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602910651 399623364 /nfs/dbraw/zinc/62/33/64/399623364.db2.gz BZDUEMZWGCPISL-QGZVFWFLSA-N 1 2 308.422 2.503 20 30 DFEDLO COC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602910651 399623368 /nfs/dbraw/zinc/62/33/68/399623368.db2.gz BZDUEMZWGCPISL-QGZVFWFLSA-N 1 2 308.422 2.503 20 30 DFEDLO CC(C)c1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)no1 ZINC000602909218 399623488 /nfs/dbraw/zinc/62/34/88/399623488.db2.gz JPROMTBKYRYFNF-UHFFFAOYSA-N 1 2 311.389 2.839 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1F ZINC000289585275 221084876 /nfs/dbraw/zinc/08/48/76/221084876.db2.gz ASIJFPIUTGNDGH-UHFFFAOYSA-N 1 2 313.336 2.552 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924786 399628772 /nfs/dbraw/zinc/62/87/72/399628772.db2.gz DGBINKSEQAQVAC-GXTWGEPZSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924786 399628776 /nfs/dbraw/zinc/62/87/76/399628776.db2.gz DGBINKSEQAQVAC-GXTWGEPZSA-N 1 2 301.390 2.613 20 30 DFEDLO C#CCC(CC#C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000289047382 335059819 /nfs/dbraw/zinc/05/98/19/335059819.db2.gz KGZPKJZTGOVEEX-MRXNPFEDSA-N 1 2 324.424 2.681 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cc(F)cc(C#N)c1)C2 ZINC000603069441 399670931 /nfs/dbraw/zinc/67/09/31/399670931.db2.gz BVTODWTXWVHDHM-UHFFFAOYSA-N 1 2 313.336 2.558 20 30 DFEDLO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000612529955 399671299 /nfs/dbraw/zinc/67/12/99/399671299.db2.gz FVCBNSVFPKFMIF-ZDUSSCGKSA-N 1 2 319.368 2.778 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973761 399643694 /nfs/dbraw/zinc/64/36/94/399643694.db2.gz FDYPYONCWUTZIU-WBVHZDCISA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973761 399643696 /nfs/dbraw/zinc/64/36/96/399643696.db2.gz FDYPYONCWUTZIU-WBVHZDCISA-N 1 2 317.408 2.798 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1OC ZINC000612405986 399644824 /nfs/dbraw/zinc/64/48/24/399644824.db2.gz FYAPEBRSYZFTKC-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(OC)c1OC ZINC000612405986 399644826 /nfs/dbraw/zinc/64/48/26/399644826.db2.gz FYAPEBRSYZFTKC-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977270 399645757 /nfs/dbraw/zinc/64/57/57/399645757.db2.gz ZYEOFGRUQHGGEK-UKPHBRMFSA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977270 399645768 /nfs/dbraw/zinc/64/57/68/399645768.db2.gz ZYEOFGRUQHGGEK-UKPHBRMFSA-N 1 2 317.408 2.969 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)C2CC2)o1 ZINC000602978832 399646584 /nfs/dbraw/zinc/64/65/84/399646584.db2.gz XDMSQWRZQFGOOA-PBHICJAKSA-N 1 2 315.417 2.703 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)C2CC2)o1 ZINC000602978832 399646589 /nfs/dbraw/zinc/64/65/89/399646589.db2.gz XDMSQWRZQFGOOA-PBHICJAKSA-N 1 2 315.417 2.703 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602980261 399647707 /nfs/dbraw/zinc/64/77/07/399647707.db2.gz OARLOTBKMIOIBO-WBVHZDCISA-N 1 2 320.458 2.783 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602980261 399647711 /nfs/dbraw/zinc/64/77/11/399647711.db2.gz OARLOTBKMIOIBO-WBVHZDCISA-N 1 2 320.458 2.783 20 30 DFEDLO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602979330 399647808 /nfs/dbraw/zinc/64/78/08/399647808.db2.gz BXUPTGVACTVPAO-CJNGLKHVSA-N 1 2 324.421 2.614 20 30 DFEDLO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602979330 399647814 /nfs/dbraw/zinc/64/78/14/399647814.db2.gz BXUPTGVACTVPAO-CJNGLKHVSA-N 1 2 324.421 2.614 20 30 DFEDLO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCC[C@@H]1C#N ZINC000602981288 399648007 /nfs/dbraw/zinc/64/80/07/399648007.db2.gz AWJLTRAKYUEIDR-ZBFHGGJFSA-N 1 2 308.385 2.973 20 30 DFEDLO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCC[C@@H]1C#N ZINC000602981288 399648010 /nfs/dbraw/zinc/64/80/10/399648010.db2.gz AWJLTRAKYUEIDR-ZBFHGGJFSA-N 1 2 308.385 2.973 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000624463793 399680496 /nfs/dbraw/zinc/68/04/96/399680496.db2.gz YCMIVOFENXHKNT-UHFFFAOYSA-N 1 2 316.449 2.824 20 30 DFEDLO C#CC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1 ZINC000289233032 335060807 /nfs/dbraw/zinc/06/08/07/335060807.db2.gz DDWAVVJBZCGZCE-UHFFFAOYSA-N 1 2 314.410 2.824 20 30 DFEDLO C#CC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1 ZINC000289233032 335060808 /nfs/dbraw/zinc/06/08/08/335060808.db2.gz DDWAVVJBZCGZCE-UHFFFAOYSA-N 1 2 314.410 2.824 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000603158652 399699088 /nfs/dbraw/zinc/69/90/88/399699088.db2.gz DROUESDEPRUXLA-BBRMVZONSA-N 1 2 310.401 2.973 20 30 DFEDLO Cc1cccc2c1CN(c1[nH+]cnc3c1cnn3CCC#N)CC2 ZINC000617485254 399714986 /nfs/dbraw/zinc/71/49/86/399714986.db2.gz OIQHJFRSUIVNQC-UHFFFAOYSA-N 1 2 318.384 2.611 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCCC1)OCC ZINC000617484917 399715019 /nfs/dbraw/zinc/71/50/19/399715019.db2.gz QKGLSAUNJGLUJJ-MRXNPFEDSA-N 1 2 317.433 2.669 20 30 DFEDLO C#Cc1ccccc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000289619922 335061630 /nfs/dbraw/zinc/06/16/30/335061630.db2.gz BHKKILKJQILLRU-DLBZAZTESA-N 1 2 323.396 2.568 20 30 DFEDLO C#Cc1ccccc1Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000289619922 335061632 /nfs/dbraw/zinc/06/16/32/335061632.db2.gz BHKKILKJQILLRU-DLBZAZTESA-N 1 2 323.396 2.568 20 30 DFEDLO C[S@@](=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000121711821 195332838 /nfs/dbraw/zinc/33/28/38/195332838.db2.gz HOEISOKDSOLEDS-QFIPXVFZSA-N 1 2 310.382 2.555 20 30 DFEDLO COc1ccc2c(c1)OC[C@@H](Nc1cc(C)[nH+]c(C)c1C#N)C2 ZINC000301963813 533282855 /nfs/dbraw/zinc/28/28/55/533282855.db2.gz NMWNZTZTRAAMIG-AWEZNQCLSA-N 1 2 309.369 2.994 20 30 DFEDLO COCc1cc(C#N)ccc1NC[C@@H]1CCC[N@@H+]1CC(F)F ZINC000603410979 399769078 /nfs/dbraw/zinc/76/90/78/399769078.db2.gz BKUSXLWIBXJTFJ-AWEZNQCLSA-N 1 2 309.360 2.846 20 30 DFEDLO COCc1cc(C#N)ccc1NC[C@@H]1CCC[N@H+]1CC(F)F ZINC000603410979 399769080 /nfs/dbraw/zinc/76/90/80/399769080.db2.gz BKUSXLWIBXJTFJ-AWEZNQCLSA-N 1 2 309.360 2.846 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CCCCC1 ZINC000617719024 399783148 /nfs/dbraw/zinc/78/31/48/399783148.db2.gz GRGQQVUUGWHGMQ-CVEARBPZSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CCCCC1 ZINC000617719024 399783150 /nfs/dbraw/zinc/78/31/50/399783150.db2.gz GRGQQVUUGWHGMQ-CVEARBPZSA-N 1 2 308.466 2.738 20 30 DFEDLO C#CCCOc1ccc(C[NH2+]Cc2nnc(CC)s2)cc1 ZINC000289720226 335066117 /nfs/dbraw/zinc/06/61/17/335066117.db2.gz GACAGKQDHXWKNY-UHFFFAOYSA-N 1 2 301.415 2.792 20 30 DFEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000198358392 542866561 /nfs/dbraw/zinc/86/65/61/542866561.db2.gz XOPXYYBPOMZEEF-CQSZACIVSA-N 1 2 314.414 2.500 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000604414580 399845488 /nfs/dbraw/zinc/84/54/88/399845488.db2.gz DMCXRVIJANRSNY-YIUBPGBESA-N 1 2 303.450 2.551 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000604414580 399845496 /nfs/dbraw/zinc/84/54/96/399845496.db2.gz DMCXRVIJANRSNY-YIUBPGBESA-N 1 2 303.450 2.551 20 30 DFEDLO O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328652033 543096293 /nfs/dbraw/zinc/09/62/93/543096293.db2.gz BTBPXRZCWQHYBM-ZDUSSCGKSA-N 1 2 311.389 2.729 20 30 DFEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)CC(C)(C)C ZINC000604455858 399847373 /nfs/dbraw/zinc/84/73/73/399847373.db2.gz RQMCBFHPMSKFDB-INIZCTEOSA-N 1 2 323.481 2.523 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000329263317 543101935 /nfs/dbraw/zinc/10/19/35/543101935.db2.gz DNBAULZMJKZLND-NSHDSACASA-N 1 2 303.366 2.561 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000329263317 543101937 /nfs/dbraw/zinc/10/19/37/543101937.db2.gz DNBAULZMJKZLND-NSHDSACASA-N 1 2 303.366 2.561 20 30 DFEDLO C=C(Br)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000052442153 425884556 /nfs/dbraw/zinc/88/45/56/425884556.db2.gz GOVCXVOFYYLYAP-UHFFFAOYSA-N 1 2 309.207 2.912 20 30 DFEDLO C=C(Br)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000052442153 425884557 /nfs/dbraw/zinc/88/45/57/425884557.db2.gz GOVCXVOFYYLYAP-UHFFFAOYSA-N 1 2 309.207 2.912 20 30 DFEDLO C=C1CC(C)(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000630683152 399915815 /nfs/dbraw/zinc/91/58/15/399915815.db2.gz GDDXKVDYNHAPOA-KRWDZBQOSA-N 1 2 314.429 2.532 20 30 DFEDLO C=C1CC(C)(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000630528807 399899199 /nfs/dbraw/zinc/89/91/99/399899199.db2.gz NNISKNWVVOKATH-UHFFFAOYSA-N 1 2 300.402 2.814 20 30 DFEDLO C=C(C)C[C@H]1NC(=O)N([C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000630978932 399957332 /nfs/dbraw/zinc/95/73/32/399957332.db2.gz LCESTFFYFRJVPZ-CZUORRHYSA-N 1 2 324.384 2.820 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C\c3ccccc3C#N)n2)C1 ZINC000354805148 147158441 /nfs/dbraw/zinc/15/84/41/147158441.db2.gz LLKGVDKSIAWQJB-PTZVLDCSSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C\c3ccccc3C#N)n2)C1 ZINC000354805148 147158444 /nfs/dbraw/zinc/15/84/44/147158444.db2.gz LLKGVDKSIAWQJB-PTZVLDCSSA-N 1 2 324.384 2.893 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000358263224 148309194 /nfs/dbraw/zinc/30/91/94/148309194.db2.gz IWNLCDRJJKQQAG-SFHVURJKSA-N 1 2 323.396 2.980 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C#N)cc1F ZINC000358434538 148360617 /nfs/dbraw/zinc/36/06/17/148360617.db2.gz OGVUTGNZTCORSA-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cncc(F)c1 ZINC000361137859 149037041 /nfs/dbraw/zinc/03/70/41/149037041.db2.gz XIXWALCMCGJTIP-NSHDSACASA-N 1 2 323.331 2.993 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000361645278 149179198 /nfs/dbraw/zinc/17/91/98/149179198.db2.gz CVMOXAINTAUYMB-LJQANCHMSA-N 1 2 308.381 2.838 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000361645278 149179201 /nfs/dbraw/zinc/17/92/01/149179201.db2.gz CVMOXAINTAUYMB-LJQANCHMSA-N 1 2 308.381 2.838 20 30 DFEDLO COC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000361703445 149196906 /nfs/dbraw/zinc/19/69/06/149196906.db2.gz SKBMNTADTZWGSX-UHFFFAOYSA-N 1 2 324.327 2.545 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361839549 149234178 /nfs/dbraw/zinc/23/41/78/149234178.db2.gz ZZFKUAHXUYXCRM-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361839549 149234179 /nfs/dbraw/zinc/23/41/79/149234179.db2.gz ZZFKUAHXUYXCRM-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1cccc(C#N)c1)CCC2 ZINC000371290822 150016105 /nfs/dbraw/zinc/01/61/05/150016105.db2.gz WNLQHYBGASNTLY-OZSKJFCKSA-N 1 2 320.396 2.770 20 30 DFEDLO Cc1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000371451714 150049511 /nfs/dbraw/zinc/04/95/11/150049511.db2.gz SSDJDOMVJBVTKA-UHFFFAOYSA-N 1 2 314.414 2.762 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000371703781 150084393 /nfs/dbraw/zinc/08/43/93/150084393.db2.gz PKQFZGPFBOYOAE-UHFFFAOYSA-N 1 2 315.764 2.764 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccn1 ZINC000372313033 150163145 /nfs/dbraw/zinc/16/31/45/150163145.db2.gz GXSVBCSRJQQPKU-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccn1 ZINC000372313033 150163148 /nfs/dbraw/zinc/16/31/48/150163148.db2.gz GXSVBCSRJQQPKU-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000376335114 150564404 /nfs/dbraw/zinc/56/44/04/150564404.db2.gz RWQSGZISSNTDIA-RHSMWYFYSA-N 1 2 322.412 2.927 20 30 DFEDLO C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193389994 158077687 /nfs/dbraw/zinc/07/76/87/158077687.db2.gz PTEBFFBPZHMIRO-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO N#Cc1cccc(-c2csc(NC(=O)CCc3[nH]cc[nH+]3)n2)c1 ZINC000355142774 158284088 /nfs/dbraw/zinc/28/40/88/158284088.db2.gz OAKCUKUWIAFUEG-UHFFFAOYSA-N 1 2 323.381 2.976 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2ccc(C#N)cc2)CCC(C)CC1 ZINC000356977625 158337116 /nfs/dbraw/zinc/33/71/16/158337116.db2.gz GZQZHXOTNQXBHV-UHFFFAOYSA-N 1 2 316.401 2.649 20 30 DFEDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358556365 158389406 /nfs/dbraw/zinc/38/94/06/158389406.db2.gz ATFVZPJCFVNPOA-NSHDSACASA-N 1 2 316.380 2.853 20 30 DFEDLO C[C@H]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134087263 196360283 /nfs/dbraw/zinc/36/02/83/196360283.db2.gz VONDXEQWHBLDRB-FZMZJTMJSA-N 1 2 301.781 2.891 20 30 DFEDLO C[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000134101171 196361499 /nfs/dbraw/zinc/36/14/99/196361499.db2.gz KNYYMAVSTCXOTH-FZMZJTMJSA-N 1 2 301.781 2.891 20 30 DFEDLO CCc1nnc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000134147378 196365394 /nfs/dbraw/zinc/36/53/94/196365394.db2.gz MCMMTODRGNGOKW-SUMWQHHRSA-N 1 2 324.432 2.757 20 30 DFEDLO C=C(CNC(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000672684647 544146751 /nfs/dbraw/zinc/14/67/51/544146751.db2.gz AGBSDQXBATXHDF-UHFFFAOYSA-N 1 2 306.369 2.847 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000677047711 544425975 /nfs/dbraw/zinc/42/59/75/544425975.db2.gz GVFDHGCYKMTJHT-OAHLLOKOSA-N 1 2 302.393 2.694 20 30 DFEDLO COCC#CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000677817173 544546022 /nfs/dbraw/zinc/54/60/22/544546022.db2.gz KJFUEMHIHLTYPF-UHFFFAOYSA-N 1 2 315.200 2.514 20 30 DFEDLO COCC#CC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000677817173 544546027 /nfs/dbraw/zinc/54/60/27/544546027.db2.gz KJFUEMHIHLTYPF-UHFFFAOYSA-N 1 2 315.200 2.514 20 30 DFEDLO COCC#CC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000677817787 544546146 /nfs/dbraw/zinc/54/61/46/544546146.db2.gz UPPVVALHRKIEJZ-HNNXBMFYSA-N 1 2 306.837 2.668 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCc3c[nH]nc3C2)ccc1OC ZINC000678275724 544641485 /nfs/dbraw/zinc/64/14/85/544641485.db2.gz ALQQWUUIKFDETI-UHFFFAOYSA-N 1 2 313.401 2.932 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCc3c[nH]nc3C2)ccc1OC ZINC000678275724 544641488 /nfs/dbraw/zinc/64/14/88/544641488.db2.gz ALQQWUUIKFDETI-UHFFFAOYSA-N 1 2 313.401 2.932 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299541233 229194554 /nfs/dbraw/zinc/19/45/54/229194554.db2.gz PBPNPIFCEGYNIC-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000299613601 229263225 /nfs/dbraw/zinc/26/32/25/229263225.db2.gz GSQATTYFTBREGX-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000057661551 425896734 /nfs/dbraw/zinc/89/67/34/425896734.db2.gz OPROZRXGXUZHAQ-UHFFFAOYSA-N 1 2 315.417 2.805 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057878320 425897037 /nfs/dbraw/zinc/89/70/37/425897037.db2.gz PWQMOENURLXQTH-HNNXBMFYSA-N 1 2 310.401 2.557 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880759 425897321 /nfs/dbraw/zinc/89/73/21/425897321.db2.gz MIHQRXJDLAGVBB-ZDUSSCGKSA-N 1 2 301.390 2.566 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184747270 335085527 /nfs/dbraw/zinc/08/55/27/335085527.db2.gz SPLQJJDJUCZBAO-HUUCEWRRSA-N 1 2 308.422 2.678 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533025711 270002721 /nfs/dbraw/zinc/00/27/21/270002721.db2.gz AKGNCEAQQKOFEG-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533025711 270002722 /nfs/dbraw/zinc/00/27/22/270002722.db2.gz AKGNCEAQQKOFEG-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000534339375 270002784 /nfs/dbraw/zinc/00/27/84/270002784.db2.gz JJZSVLOVCDSCKG-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000534339375 270002785 /nfs/dbraw/zinc/00/27/85/270002785.db2.gz JJZSVLOVCDSCKG-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533529823 270002828 /nfs/dbraw/zinc/00/28/28/270002828.db2.gz RVWSEOBHXKXLHO-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533529823 270002829 /nfs/dbraw/zinc/00/28/29/270002829.db2.gz RVWSEOBHXKXLHO-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C=CC[N@@H+](CCCS(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000103138953 425936601 /nfs/dbraw/zinc/93/66/01/425936601.db2.gz UQXSTPDKHBEZPW-UHFFFAOYSA-N 1 2 307.868 2.824 20 30 DFEDLO C=CC[N@H+](CCCS(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000103138953 425936604 /nfs/dbraw/zinc/93/66/04/425936604.db2.gz UQXSTPDKHBEZPW-UHFFFAOYSA-N 1 2 307.868 2.824 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182722216 266130074 /nfs/dbraw/zinc/13/00/74/266130074.db2.gz JRVRZQMWEDURJI-WMLDXEAASA-N 1 2 310.401 2.535 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182722216 266130078 /nfs/dbraw/zinc/13/00/78/266130078.db2.gz JRVRZQMWEDURJI-WMLDXEAASA-N 1 2 310.401 2.535 20 30 DFEDLO CC[N@H+](Cc1nc(CCOC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000171629221 266137367 /nfs/dbraw/zinc/13/73/67/266137367.db2.gz KGFDIJGGXZBWBM-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO CC[N@@H+](Cc1nc(CCOC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000171629221 266137371 /nfs/dbraw/zinc/13/73/71/266137371.db2.gz KGFDIJGGXZBWBM-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO CN(C)C(=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000342865096 266490165 /nfs/dbraw/zinc/49/01/65/266490165.db2.gz XPDBFQVILUOYBW-UHFFFAOYSA-N 1 2 319.368 2.520 20 30 DFEDLO CCC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(=O)OCC ZINC000448510887 267012410 /nfs/dbraw/zinc/01/24/10/267012410.db2.gz QNQMEKVRQYMHSX-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO CCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(=O)OCC ZINC000448510887 267012412 /nfs/dbraw/zinc/01/24/12/267012412.db2.gz QNQMEKVRQYMHSX-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344690656 267019200 /nfs/dbraw/zinc/01/92/00/267019200.db2.gz SBMYYDKWKSWUOZ-CRAIPNDOSA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347127251 267108930 /nfs/dbraw/zinc/10/89/30/267108930.db2.gz USCCPWCGXRNWLG-PWSUYJOCSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347127251 267108932 /nfs/dbraw/zinc/10/89/32/267108932.db2.gz USCCPWCGXRNWLG-PWSUYJOCSA-N 1 2 309.207 2.523 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(C#N)c1 ZINC000503573476 267132824 /nfs/dbraw/zinc/13/28/24/267132824.db2.gz LPCRNSVTMFDZDH-LJQANCHMSA-N 1 2 322.408 2.865 20 30 DFEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@@H]1Oc1ccccc1 ZINC000520221348 267149560 /nfs/dbraw/zinc/14/95/60/267149560.db2.gz OFCKKJXKOZOGTL-QRVBRYPASA-N 1 2 323.396 2.721 20 30 DFEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc(C#N)cc1Cl ZINC000352009218 267253018 /nfs/dbraw/zinc/25/30/18/267253018.db2.gz TXECMZFESYXPDB-SUMWQHHRSA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC(C)(C)C1 ZINC000030196354 267393622 /nfs/dbraw/zinc/39/36/22/267393622.db2.gz MMQRVTBGHULSQU-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC(C)(C)C1 ZINC000030196354 267393624 /nfs/dbraw/zinc/39/36/24/267393624.db2.gz MMQRVTBGHULSQU-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000026323230 425810292 /nfs/dbraw/zinc/81/02/92/425810292.db2.gz NGFIGLYQQSBEKY-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000026323230 425810295 /nfs/dbraw/zinc/81/02/95/425810295.db2.gz NGFIGLYQQSBEKY-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO N#Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000035670814 425844617 /nfs/dbraw/zinc/84/46/17/425844617.db2.gz FUPRFLFIRSOKTJ-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1O ZINC000188403103 268046176 /nfs/dbraw/zinc/04/61/76/268046176.db2.gz GJZCVXLEJOJWQH-UHFFFAOYSA-N 1 2 304.309 2.906 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(F)cc3C#N)[nH+]c2c1 ZINC000435165602 268062300 /nfs/dbraw/zinc/06/23/00/268062300.db2.gz OWHVDPFCAHQHQJ-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3cccc(F)c3C#N)[nH+]c2c1 ZINC000426653088 268062679 /nfs/dbraw/zinc/06/26/79/268062679.db2.gz YKEXDWUICKIWTK-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000347080481 268062786 /nfs/dbraw/zinc/06/27/86/268062786.db2.gz FIKNDJIEXGNGIQ-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000347080481 268062789 /nfs/dbraw/zinc/06/27/89/268062789.db2.gz FIKNDJIEXGNGIQ-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427390 268067045 /nfs/dbraw/zinc/06/70/45/268067045.db2.gz NLUGVHRWOQIMFH-CYBMUJFWSA-N 1 2 317.370 2.660 20 30 DFEDLO N#Cc1cn(Cc2c[nH+]c3ccccn23)c2ccccc2c1=O ZINC000193488287 268070547 /nfs/dbraw/zinc/07/05/47/268070547.db2.gz FKYHFVARNDVESX-UHFFFAOYSA-N 1 2 300.321 2.569 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c(F)c1 ZINC000344322471 268076236 /nfs/dbraw/zinc/07/62/36/268076236.db2.gz XWLJMXXLCKNYHI-OAHLLOKOSA-N 1 2 306.287 2.799 20 30 DFEDLO Cc1occc1C(=O)NC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425230255 268106354 /nfs/dbraw/zinc/10/63/54/268106354.db2.gz SBCDXRBHURQRRO-UHFFFAOYSA-N 1 2 324.384 2.562 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cn3)CC2)c(F)c1 ZINC000346270085 268118661 /nfs/dbraw/zinc/11/86/61/268118661.db2.gz WFUXIHQNVIDDRF-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)C2)cc1Cl ZINC000345824969 268137047 /nfs/dbraw/zinc/13/70/47/268137047.db2.gz NTLZOGQHEKXSFF-UHFFFAOYSA-N 1 2 313.735 2.881 20 30 DFEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC(F)(F)C2)cc1Cl ZINC000345824969 268137050 /nfs/dbraw/zinc/13/70/50/268137050.db2.gz NTLZOGQHEKXSFF-UHFFFAOYSA-N 1 2 313.735 2.881 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000428230999 268163338 /nfs/dbraw/zinc/16/33/38/268163338.db2.gz QPUUJEZIDLOMSQ-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000428230999 268163339 /nfs/dbraw/zinc/16/33/39/268163339.db2.gz QPUUJEZIDLOMSQ-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000270835835 268224173 /nfs/dbraw/zinc/22/41/73/268224173.db2.gz DVCGGNNMEWTEKN-INIZCTEOSA-N 1 2 318.417 2.644 20 30 DFEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000270835835 268224175 /nfs/dbraw/zinc/22/41/75/268224175.db2.gz DVCGGNNMEWTEKN-INIZCTEOSA-N 1 2 318.417 2.644 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340380730 268245053 /nfs/dbraw/zinc/24/50/53/268245053.db2.gz RQLPJJDRTGOKET-QGZVFWFLSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C(N)=O)cc1 ZINC000528663394 268262295 /nfs/dbraw/zinc/26/22/95/268262295.db2.gz ZGJDZZCWCCFGTR-QZTJIDSGSA-N 1 2 320.396 2.611 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000412134822 268288926 /nfs/dbraw/zinc/28/89/26/268288926.db2.gz YCXJVJOCBXHYMW-DLBZAZTESA-N 1 2 320.396 2.675 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000459486403 268290945 /nfs/dbraw/zinc/29/09/45/268290945.db2.gz PSRHHJCGJHARTG-JTQLQIEISA-N 1 2 311.288 2.528 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000459486403 268290948 /nfs/dbraw/zinc/29/09/48/268290948.db2.gz PSRHHJCGJHARTG-JTQLQIEISA-N 1 2 311.288 2.528 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157887392 425938710 /nfs/dbraw/zinc/93/87/10/425938710.db2.gz FIUIWJKMOKCACG-AWEZNQCLSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157887392 425938714 /nfs/dbraw/zinc/93/87/14/425938714.db2.gz FIUIWJKMOKCACG-AWEZNQCLSA-N 1 2 302.393 2.773 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C[C@H](C)C#N ZINC000157640196 425939983 /nfs/dbraw/zinc/93/99/83/425939983.db2.gz BNQCXZMGQDVNLQ-LLVKDONJSA-N 1 2 313.854 2.841 20 30 DFEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C[C@H](C)C#N ZINC000157640196 425939985 /nfs/dbraw/zinc/93/99/85/425939985.db2.gz BNQCXZMGQDVNLQ-LLVKDONJSA-N 1 2 313.854 2.841 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158073865 425940564 /nfs/dbraw/zinc/94/05/64/425940564.db2.gz JYWDOUFSUJZNMT-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000158073865 425940567 /nfs/dbraw/zinc/94/05/67/425940567.db2.gz JYWDOUFSUJZNMT-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103469503 425949396 /nfs/dbraw/zinc/94/93/96/425949396.db2.gz STGYHUJLOXUEFK-UHFFFAOYSA-N 1 2 304.781 2.776 20 30 DFEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103469503 425949399 /nfs/dbraw/zinc/94/93/99/425949399.db2.gz STGYHUJLOXUEFK-UHFFFAOYSA-N 1 2 304.781 2.776 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000072982001 426022493 /nfs/dbraw/zinc/02/24/93/426022493.db2.gz WANBCZTUSMJBCO-UHFFFAOYSA-N 1 2 322.836 2.981 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000072982001 426022494 /nfs/dbraw/zinc/02/24/94/426022494.db2.gz WANBCZTUSMJBCO-UHFFFAOYSA-N 1 2 322.836 2.981 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126543746 426025897 /nfs/dbraw/zinc/02/58/97/426025897.db2.gz JYIMSPGCWSFWEE-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126543746 426025899 /nfs/dbraw/zinc/02/58/99/426025899.db2.gz JYIMSPGCWSFWEE-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO N#CCNC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000126805100 426037268 /nfs/dbraw/zinc/03/72/68/426037268.db2.gz SJACJHWMJUQCOT-UHFFFAOYSA-N 1 2 322.393 2.880 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000161772366 426039164 /nfs/dbraw/zinc/03/91/64/426039164.db2.gz LIWODUWCIWDTMR-PWSUYJOCSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000161772366 426039166 /nfs/dbraw/zinc/03/91/66/426039166.db2.gz LIWODUWCIWDTMR-PWSUYJOCSA-N 1 2 317.216 2.967 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c(O)co1 ZINC000074351053 426047257 /nfs/dbraw/zinc/04/72/57/426047257.db2.gz HXFOVWHRGNAOLM-UHFFFAOYSA-N 1 2 301.342 2.542 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c(O)co1 ZINC000074351053 426047260 /nfs/dbraw/zinc/04/72/60/426047260.db2.gz HXFOVWHRGNAOLM-UHFFFAOYSA-N 1 2 301.342 2.542 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000072691998 426019079 /nfs/dbraw/zinc/01/90/79/426019079.db2.gz OGWQEBRNWORENE-UHFFFAOYSA-N 1 2 304.438 2.591 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000072691998 426019082 /nfs/dbraw/zinc/01/90/82/426019082.db2.gz OGWQEBRNWORENE-UHFFFAOYSA-N 1 2 304.438 2.591 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1ccccc1F ZINC000072691602 426020122 /nfs/dbraw/zinc/02/01/22/426020122.db2.gz YJUWGFFYIVHKSI-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1ccccc1F ZINC000072691602 426020124 /nfs/dbraw/zinc/02/01/24/426020124.db2.gz YJUWGFFYIVHKSI-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO N#Cc1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)ccc1F ZINC000077499844 426136585 /nfs/dbraw/zinc/13/65/85/426136585.db2.gz VTSLELXHZIEVBT-UHFFFAOYSA-N 1 2 323.331 2.709 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127578514 426073911 /nfs/dbraw/zinc/07/39/11/426073911.db2.gz ZWQDNFPJEMICFT-GOSISDBHSA-N 1 2 307.397 2.948 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127578514 426073915 /nfs/dbraw/zinc/07/39/15/426073915.db2.gz ZWQDNFPJEMICFT-GOSISDBHSA-N 1 2 307.397 2.948 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000135013249 426203303 /nfs/dbraw/zinc/20/33/03/426203303.db2.gz FZTNKKWEMLUCBB-INIZCTEOSA-N 1 2 307.463 2.780 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000135013249 426203306 /nfs/dbraw/zinc/20/33/06/426203306.db2.gz FZTNKKWEMLUCBB-INIZCTEOSA-N 1 2 307.463 2.780 20 30 DFEDLO COC(=O)C1([NH2+]Cc2ccc(OC)c(C#N)c2)CCCCC1 ZINC000135086598 426205355 /nfs/dbraw/zinc/20/53/55/426205355.db2.gz FJAVTISSVXAXKP-UHFFFAOYSA-N 1 2 302.374 2.532 20 30 DFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000115595329 426168676 /nfs/dbraw/zinc/16/86/76/426168676.db2.gz XZKKXCVDWIHHQP-QFYYESIMSA-N 1 2 315.323 2.714 20 30 DFEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000115595354 426169328 /nfs/dbraw/zinc/16/93/28/426169328.db2.gz LFOFNOGDSAGXEW-QFYYESIMSA-N 1 2 315.323 2.714 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C#N)cs2)c1C ZINC000084183682 426234668 /nfs/dbraw/zinc/23/46/68/426234668.db2.gz XKXZPTGYSDBSPL-UHFFFAOYSA-N 1 2 315.398 2.912 20 30 DFEDLO C=CCNc1ncc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000136234965 426237993 /nfs/dbraw/zinc/23/79/93/426237993.db2.gz AZSDWKMRLZUGKB-NSHDSACASA-N 1 2 317.418 2.832 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000174259710 426253111 /nfs/dbraw/zinc/25/31/11/426253111.db2.gz NWNBZWLQZISRSX-INIZCTEOSA-N 1 2 310.332 2.903 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175433514 426305171 /nfs/dbraw/zinc/30/51/71/426305171.db2.gz ULSVADWJHDRQQH-OAHLLOKOSA-N 1 2 312.417 2.890 20 30 DFEDLO CCOc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151717872 426309343 /nfs/dbraw/zinc/30/93/43/426309343.db2.gz LTRGFYGZYLXQFJ-SFHVURJKSA-N 1 2 323.396 2.582 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151808768 426312858 /nfs/dbraw/zinc/31/28/58/426312858.db2.gz LXHKMXVOVUQOJQ-KRWDZBQOSA-N 1 2 320.396 2.532 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119359835 426281563 /nfs/dbraw/zinc/28/15/63/426281563.db2.gz JEOCHIFKWKCVJM-OAHLLOKOSA-N 1 2 302.422 2.624 20 30 DFEDLO Cc1cc(N)nc(SCCCOc2cccc(C#N)c2)[nH+]1 ZINC000122826538 426397181 /nfs/dbraw/zinc/39/71/81/426397181.db2.gz QRIQZXVYAVSUHP-UHFFFAOYSA-N 1 2 300.387 2.800 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000122902960 426401338 /nfs/dbraw/zinc/40/13/38/426401338.db2.gz NPUSCCPMSQPIDR-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C#CCOCCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000121638768 426351716 /nfs/dbraw/zinc/35/17/16/426351716.db2.gz BZDPIBPAEAWVCZ-UHFFFAOYSA-N 1 2 323.396 2.865 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000123604129 426442731 /nfs/dbraw/zinc/44/27/31/426442731.db2.gz HOVIZQSHVNUARV-UHFFFAOYSA-N 1 2 317.433 2.704 20 30 DFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000177251532 426460405 /nfs/dbraw/zinc/46/04/05/426460405.db2.gz GQOZCONVSFNJCS-INIZCTEOSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000177251532 426460407 /nfs/dbraw/zinc/46/04/07/426460407.db2.gz GQOZCONVSFNJCS-INIZCTEOSA-N 1 2 312.344 2.969 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)o1 ZINC000124034928 426466808 /nfs/dbraw/zinc/46/68/08/426466808.db2.gz XKARUJQZCZQWCX-UHFFFAOYSA-N 1 2 310.353 2.952 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000101552489 426484562 /nfs/dbraw/zinc/48/45/62/426484562.db2.gz PHGNDMRNZHBGHL-INIZCTEOSA-N 1 2 324.428 2.548 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000101552489 426484563 /nfs/dbraw/zinc/48/45/63/426484563.db2.gz PHGNDMRNZHBGHL-INIZCTEOSA-N 1 2 324.428 2.548 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280248581 426529300 /nfs/dbraw/zinc/52/93/00/426529300.db2.gz BIECMIQJVYBHQH-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280248581 426529302 /nfs/dbraw/zinc/52/93/02/426529302.db2.gz BIECMIQJVYBHQH-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c(C#N)c1C ZINC000272497561 426540650 /nfs/dbraw/zinc/54/06/50/426540650.db2.gz DCMFMGUMGVETFT-LBPRGKRZSA-N 1 2 314.389 2.721 20 30 DFEDLO CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000264426534 426552315 /nfs/dbraw/zinc/55/23/15/426552315.db2.gz BLGHLEKKLNJCPG-UHFFFAOYSA-N 1 2 312.333 2.846 20 30 DFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000186313116 426504217 /nfs/dbraw/zinc/50/42/17/426504217.db2.gz FOXXJTXLDZOHIB-INIZCTEOSA-N 1 2 318.417 2.645 20 30 DFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000186313116 426504220 /nfs/dbraw/zinc/50/42/20/426504220.db2.gz FOXXJTXLDZOHIB-INIZCTEOSA-N 1 2 318.417 2.645 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000264618783 426575880 /nfs/dbraw/zinc/57/58/80/426575880.db2.gz QILJAKHJFLLLDB-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000264618783 426575884 /nfs/dbraw/zinc/57/58/84/426575884.db2.gz QILJAKHJFLLLDB-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000265177584 426591211 /nfs/dbraw/zinc/59/12/11/426591211.db2.gz ZUXNUMFBAYHAAM-MRXNPFEDSA-N 1 2 321.428 2.848 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561401 426600162 /nfs/dbraw/zinc/60/01/62/426600162.db2.gz UYURUCICUJNVGC-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561401 426600167 /nfs/dbraw/zinc/60/01/67/426600167.db2.gz UYURUCICUJNVGC-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000265257533 426607203 /nfs/dbraw/zinc/60/72/03/426607203.db2.gz BAWJYHZNKXSUSC-SWLSCSKDSA-N 1 2 316.380 2.912 20 30 DFEDLO Cc1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c(C)c1 ZINC000265640355 426667435 /nfs/dbraw/zinc/66/74/35/426667435.db2.gz JNRCXCKBWRCUEJ-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c(C)c1 ZINC000265640355 426667439 /nfs/dbraw/zinc/66/74/39/426667439.db2.gz JNRCXCKBWRCUEJ-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO N#CC[N@@H+](C[C@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000265674912 426672124 /nfs/dbraw/zinc/67/21/24/426672124.db2.gz BUUZVGCRQRNTCX-INIZCTEOSA-N 1 2 322.836 2.986 20 30 DFEDLO N#CC[N@H+](C[C@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000265674912 426672126 /nfs/dbraw/zinc/67/21/26/426672126.db2.gz BUUZVGCRQRNTCX-INIZCTEOSA-N 1 2 322.836 2.986 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281290024 426709751 /nfs/dbraw/zinc/70/97/51/426709751.db2.gz AFPRTCLCANJZTL-LSDHHAIUSA-N 1 2 305.422 2.938 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+](C)C[C@@H](C)C#N)c(Cl)c1 ZINC000266549331 426736221 /nfs/dbraw/zinc/73/62/21/426736221.db2.gz SWAGGGFDGCVPKH-NSHDSACASA-N 1 2 310.781 2.597 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+](C)C[C@@H](C)C#N)c(Cl)c1 ZINC000266549331 426736225 /nfs/dbraw/zinc/73/62/25/426736225.db2.gz SWAGGGFDGCVPKH-NSHDSACASA-N 1 2 310.781 2.597 20 30 DFEDLO C=CCCCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000274634733 426807425 /nfs/dbraw/zinc/80/74/25/426807425.db2.gz ZWHCOZPQQWOBIT-UHFFFAOYSA-N 1 2 322.478 2.717 20 30 DFEDLO C=CCCCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000274634733 426807428 /nfs/dbraw/zinc/80/74/28/426807428.db2.gz ZWHCOZPQQWOBIT-UHFFFAOYSA-N 1 2 322.478 2.717 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(N3CCn4c[nH+]cc4C3)c2c1 ZINC000290638858 426811544 /nfs/dbraw/zinc/81/15/44/426811544.db2.gz HTUHHLMCXBDQCR-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO C#C[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000274716227 426824326 /nfs/dbraw/zinc/82/43/26/426824326.db2.gz CENJOODPRDVCOD-NWDGAFQWSA-N 1 2 306.435 2.518 20 30 DFEDLO C#C[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000274716227 426824328 /nfs/dbraw/zinc/82/43/28/426824328.db2.gz CENJOODPRDVCOD-NWDGAFQWSA-N 1 2 306.435 2.518 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)C1=O ZINC000282088693 426827579 /nfs/dbraw/zinc/82/75/79/426827579.db2.gz VDIOZSXUBAIHST-BPQIPLTHSA-N 1 2 314.429 2.544 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)C1=O ZINC000282088693 426827586 /nfs/dbraw/zinc/82/75/86/426827586.db2.gz VDIOZSXUBAIHST-BPQIPLTHSA-N 1 2 314.429 2.544 20 30 DFEDLO C[C@H](c1cccc(NC(=O)c2cc(C#N)c[nH]2)c1)[NH+]1CCOCC1 ZINC000267251234 426856528 /nfs/dbraw/zinc/85/65/28/426856528.db2.gz ZHFHMMPGMDIMTD-CYBMUJFWSA-N 1 2 324.384 2.532 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000282274076 426870305 /nfs/dbraw/zinc/87/03/05/426870305.db2.gz RLDQFTKUMDOGHV-TZMCWYRMSA-N 1 2 312.207 2.712 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000282274076 426870312 /nfs/dbraw/zinc/87/03/12/426870312.db2.gz RLDQFTKUMDOGHV-TZMCWYRMSA-N 1 2 312.207 2.712 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189648503 426911219 /nfs/dbraw/zinc/91/12/19/426911219.db2.gz NAEQDZJIJHBZRT-ZDUSSCGKSA-N 1 2 315.417 2.775 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247570164 426952895 /nfs/dbraw/zinc/95/28/95/426952895.db2.gz LIWODUWCIWDTMR-ZYHUDNBSSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247570164 426952898 /nfs/dbraw/zinc/95/28/98/426952898.db2.gz LIWODUWCIWDTMR-ZYHUDNBSSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@]1(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCS1 ZINC000328614657 426981679 /nfs/dbraw/zinc/98/16/79/426981679.db2.gz RFAUBOYHHZWXTK-IUODEOHRSA-N 1 2 308.451 2.550 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS[C@H](C)[C@H]1C)CCC2 ZINC000328658816 426983861 /nfs/dbraw/zinc/98/38/61/426983861.db2.gz RSIYKDPWOWWHAG-MCIONIFRSA-N 1 2 322.478 2.809 20 30 DFEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000268321136 426984268 /nfs/dbraw/zinc/98/42/68/426984268.db2.gz SYHYVBMLMSXIEL-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000268321136 426984276 /nfs/dbraw/zinc/98/42/76/426984276.db2.gz SYHYVBMLMSXIEL-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247464394 426938626 /nfs/dbraw/zinc/93/86/26/426938626.db2.gz PTJIKHFJJQATEZ-HUUCEWRRSA-N 1 2 320.458 2.711 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247464394 426938634 /nfs/dbraw/zinc/93/86/34/426938634.db2.gz PTJIKHFJJQATEZ-HUUCEWRRSA-N 1 2 320.458 2.711 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000328921422 427011964 /nfs/dbraw/zinc/01/19/64/427011964.db2.gz BOTFWCVXRPWEFI-CHWSQXEVSA-N 1 2 303.410 2.634 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000328921422 427011970 /nfs/dbraw/zinc/01/19/70/427011970.db2.gz BOTFWCVXRPWEFI-CHWSQXEVSA-N 1 2 303.410 2.634 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOCC34CCCC4)o2)c1 ZINC000328947469 427015489 /nfs/dbraw/zinc/01/54/89/427015489.db2.gz VUMCOOLCZHNEOV-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOCC34CCCC4)o2)c1 ZINC000328947469 427015497 /nfs/dbraw/zinc/01/54/97/427015497.db2.gz VUMCOOLCZHNEOV-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000328947366 427016459 /nfs/dbraw/zinc/01/64/59/427016459.db2.gz BLVTZJJFXYQGGI-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(F)ccc3F)C2)n1 ZINC000328947366 427016467 /nfs/dbraw/zinc/01/64/67/427016467.db2.gz BLVTZJJFXYQGGI-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000329025956 427027017 /nfs/dbraw/zinc/02/70/17/427027017.db2.gz JQRXTLRCQHXBGW-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000329025956 427027024 /nfs/dbraw/zinc/02/70/24/427027024.db2.gz JQRXTLRCQHXBGW-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO CCC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCOCC1 ZINC000329095225 427042043 /nfs/dbraw/zinc/04/20/43/427042043.db2.gz KSYWKDUXLPENDD-MRXNPFEDSA-N 1 2 324.465 2.793 20 30 DFEDLO CCC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCOCC1 ZINC000329095225 427042049 /nfs/dbraw/zinc/04/20/49/427042049.db2.gz KSYWKDUXLPENDD-MRXNPFEDSA-N 1 2 324.465 2.793 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CO[C@@H](C)C1)C1CCOCC1 ZINC000329099189 427042444 /nfs/dbraw/zinc/04/24/44/427042444.db2.gz YZOSTDMFVOPWJE-AEGPPILISA-N 1 2 321.421 2.752 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337971238 427067658 /nfs/dbraw/zinc/06/76/58/427067658.db2.gz HMCGIMUDGSBKRK-INIZCTEOSA-N 1 2 307.353 2.555 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C)CC2)c(C#N)c1C ZINC000248975805 427070604 /nfs/dbraw/zinc/07/06/04/427070604.db2.gz DVJLERHTUJNHCV-PWSUYJOCSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C)CC2)c(C#N)c1C ZINC000248975805 427070608 /nfs/dbraw/zinc/07/06/08/427070608.db2.gz DVJLERHTUJNHCV-PWSUYJOCSA-N 1 2 321.446 2.923 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000296162154 427099355 /nfs/dbraw/zinc/09/93/55/427099355.db2.gz KOCGXXJMBWJEDK-CQSZACIVSA-N 1 2 309.373 2.907 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329375830 427102311 /nfs/dbraw/zinc/10/23/11/427102311.db2.gz KZXUYTJFKKOMIU-SYAUCNOPSA-N 1 2 324.465 2.646 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329375830 427102313 /nfs/dbraw/zinc/10/23/13/427102313.db2.gz KZXUYTJFKKOMIU-SYAUCNOPSA-N 1 2 324.465 2.646 20 30 DFEDLO N#Cc1nnc2ccccc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000338046995 427112464 /nfs/dbraw/zinc/11/24/64/427112464.db2.gz WRBWANSRDRXUFB-ZDUSSCGKSA-N 1 2 316.368 2.587 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329479934 427124632 /nfs/dbraw/zinc/12/46/32/427124632.db2.gz CTUKDAACKQYUMJ-INMHGKMJSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329479934 427124636 /nfs/dbraw/zinc/12/46/36/427124636.db2.gz CTUKDAACKQYUMJ-INMHGKMJSA-N 1 2 324.465 2.792 20 30 DFEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000182680731 427126824 /nfs/dbraw/zinc/12/68/24/427126824.db2.gz LRANHSUWCCDRCS-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000182680731 427126831 /nfs/dbraw/zinc/12/68/31/427126831.db2.gz LRANHSUWCCDRCS-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329543899 427136653 /nfs/dbraw/zinc/13/66/53/427136653.db2.gz ODZRUIWHESOWPR-ZBFHGGJFSA-N 1 2 322.449 2.688 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329543899 427136657 /nfs/dbraw/zinc/13/66/57/427136657.db2.gz ODZRUIWHESOWPR-ZBFHGGJFSA-N 1 2 322.449 2.688 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000249856987 427151524 /nfs/dbraw/zinc/15/15/24/427151524.db2.gz DMXKBKHAFOEWAN-QWHCGFSZSA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000249856987 427151530 /nfs/dbraw/zinc/15/15/30/427151530.db2.gz DMXKBKHAFOEWAN-QWHCGFSZSA-N 1 2 307.825 2.826 20 30 DFEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCOCC2)c(F)c1 ZINC000269920016 271289155 /nfs/dbraw/zinc/28/91/55/271289155.db2.gz KOUGRCXOHGLDJN-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C2CC2)O1 ZINC000329891794 427180475 /nfs/dbraw/zinc/18/04/75/427180475.db2.gz IJUQOPKORKCWGX-LRDDRELGSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C2CC2)O1 ZINC000329891794 427180478 /nfs/dbraw/zinc/18/04/78/427180478.db2.gz IJUQOPKORKCWGX-LRDDRELGSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000338268052 427223531 /nfs/dbraw/zinc/22/35/31/427223531.db2.gz XGQUJVLAFLTWJL-WDEREUQCSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000338268052 427223535 /nfs/dbraw/zinc/22/35/35/427223535.db2.gz XGQUJVLAFLTWJL-WDEREUQCSA-N 1 2 317.216 2.825 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1=O ZINC000338349504 427269983 /nfs/dbraw/zinc/26/99/83/427269983.db2.gz NSTARMBGDMOGHK-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1=O ZINC000338349504 427269989 /nfs/dbraw/zinc/26/99/89/427269989.db2.gz NSTARMBGDMOGHK-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccncc1F ZINC000338351776 427272314 /nfs/dbraw/zinc/27/23/14/427272314.db2.gz USTUMOZHDSFXRP-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000338357502 427276410 /nfs/dbraw/zinc/27/64/10/427276410.db2.gz MMRFKMPAUQMCHY-AWEZNQCLSA-N 1 2 303.369 2.990 20 30 DFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc[nH+]c(N)c1 ZINC000338400124 427301708 /nfs/dbraw/zinc/30/17/08/427301708.db2.gz RESDAEGEGQSZKP-UHFFFAOYSA-N 1 2 324.771 2.861 20 30 DFEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000330904615 427314158 /nfs/dbraw/zinc/31/41/58/427314158.db2.gz MJJWCKJMDVKKIL-CHWSQXEVSA-N 1 2 318.421 2.844 20 30 DFEDLO C=C[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000330927610 427317534 /nfs/dbraw/zinc/31/75/34/427317534.db2.gz KJCIVYXTRSPSCQ-CQSZACIVSA-N 1 2 302.422 2.896 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331079114 427340231 /nfs/dbraw/zinc/34/02/31/427340231.db2.gz WYLHGUHOWFUZRF-UHFFFAOYSA-N 1 2 307.419 2.712 20 30 DFEDLO CCc1nnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C#N)c1CC ZINC000269850602 427290908 /nfs/dbraw/zinc/29/09/08/427290908.db2.gz FOIFTZQEJGCPAW-ZDUSSCGKSA-N 1 2 322.416 2.559 20 30 DFEDLO N#Cc1cc(F)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000269862030 427295435 /nfs/dbraw/zinc/29/54/35/427295435.db2.gz JLKMSDMJIQSITF-GFCCVEGCSA-N 1 2 300.312 2.922 20 30 DFEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C(C)(C)C)no1 ZINC000191569088 427380753 /nfs/dbraw/zinc/38/07/53/427380753.db2.gz BAJARGOCAJLFLL-LLVKDONJSA-N 1 2 324.388 2.737 20 30 DFEDLO C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(C(C)(C)C)no1 ZINC000191569088 427380760 /nfs/dbraw/zinc/38/07/60/427380760.db2.gz BAJARGOCAJLFLL-LLVKDONJSA-N 1 2 324.388 2.737 20 30 DFEDLO C=CC[N@@H+](Cc1cnc(N(C)C)nc1)Cc1cccc(C#N)c1 ZINC000271167473 427429418 /nfs/dbraw/zinc/42/94/18/427429418.db2.gz ZSHRSHSJDIFHOC-UHFFFAOYSA-N 1 2 307.401 2.602 20 30 DFEDLO C=CC[N@H+](Cc1cnc(N(C)C)nc1)Cc1cccc(C#N)c1 ZINC000271167473 427429426 /nfs/dbraw/zinc/42/94/26/427429426.db2.gz ZSHRSHSJDIFHOC-UHFFFAOYSA-N 1 2 307.401 2.602 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000297698702 427432949 /nfs/dbraw/zinc/43/29/49/427432949.db2.gz AEKUPVNQVGZRDB-GFCCVEGCSA-N 1 2 317.824 2.899 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000297698702 427432955 /nfs/dbraw/zinc/43/29/55/427432955.db2.gz AEKUPVNQVGZRDB-GFCCVEGCSA-N 1 2 317.824 2.899 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298172219 427525221 /nfs/dbraw/zinc/52/52/21/427525221.db2.gz RPWXXOOMOAISCQ-NSHDSACASA-N 1 2 316.323 2.708 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298172219 427525226 /nfs/dbraw/zinc/52/52/26/427525226.db2.gz RPWXXOOMOAISCQ-NSHDSACASA-N 1 2 316.323 2.708 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000185238392 427620526 /nfs/dbraw/zinc/62/05/26/427620526.db2.gz WQELRVNDMSPZHN-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000185238392 427620533 /nfs/dbraw/zinc/62/05/33/427620533.db2.gz WQELRVNDMSPZHN-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287267216 427564769 /nfs/dbraw/zinc/56/47/69/427564769.db2.gz LCZHJWOFICHJIF-CQSZACIVSA-N 1 2 309.207 2.932 20 30 DFEDLO CO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287267216 427564773 /nfs/dbraw/zinc/56/47/73/427564773.db2.gz LCZHJWOFICHJIF-CQSZACIVSA-N 1 2 309.207 2.932 20 30 DFEDLO C#CCCNC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000271531108 427575917 /nfs/dbraw/zinc/57/59/17/427575917.db2.gz OBOKAQXKTPKZQG-UHFFFAOYSA-N 1 2 324.428 2.969 20 30 DFEDLO N#CCCOCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000338943809 427578751 /nfs/dbraw/zinc/57/87/51/427578751.db2.gz BPWKXUXXBWNVDV-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO N#CCCOCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000338943809 427578757 /nfs/dbraw/zinc/57/87/57/427578757.db2.gz BPWKXUXXBWNVDV-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000332391844 427602261 /nfs/dbraw/zinc/60/22/61/427602261.db2.gz RLMKJXQPWMFOGT-HNNXBMFYSA-N 1 2 307.401 2.540 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017409 427627007 /nfs/dbraw/zinc/62/70/07/427627007.db2.gz LQRNFGOHZPVYDX-BBRMVZONSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017409 427627014 /nfs/dbraw/zinc/62/70/14/427627014.db2.gz LQRNFGOHZPVYDX-BBRMVZONSA-N 1 2 317.820 2.676 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000279409280 427664133 /nfs/dbraw/zinc/66/41/33/427664133.db2.gz NNFIPDJSLCQQNM-UHFFFAOYSA-N 1 2 314.408 2.744 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000279409280 427664141 /nfs/dbraw/zinc/66/41/41/427664141.db2.gz NNFIPDJSLCQQNM-UHFFFAOYSA-N 1 2 314.408 2.744 20 30 DFEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342415791 272007535 /nfs/dbraw/zinc/00/75/35/272007535.db2.gz BDMTUUAQEWSXMR-MJGOQNOKSA-N 1 2 311.429 2.639 20 30 DFEDLO Cc1c[nH+]c(CN2CCC(Oc3ccc(C#N)cc3)CC2)n1C ZINC000342797471 272056197 /nfs/dbraw/zinc/05/61/97/272056197.db2.gz GLGKGQFAHLHGMG-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO Cc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1C ZINC000342797471 272056200 /nfs/dbraw/zinc/05/62/00/272056200.db2.gz GLGKGQFAHLHGMG-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000279459755 427679177 /nfs/dbraw/zinc/67/91/77/427679177.db2.gz UHMBNPLIURIMEO-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000279459755 427679181 /nfs/dbraw/zinc/67/91/81/427679181.db2.gz UHMBNPLIURIMEO-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000298713421 427684866 /nfs/dbraw/zinc/68/48/66/427684866.db2.gz LNGBDMAYUXOACF-CQSZACIVSA-N 1 2 308.385 2.790 20 30 DFEDLO C=CCCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000279842375 427722641 /nfs/dbraw/zinc/72/26/41/427722641.db2.gz RLIYFJFHZDHIHN-UHFFFAOYSA-N 1 2 303.431 2.958 20 30 DFEDLO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279631397 427716397 /nfs/dbraw/zinc/71/63/97/427716397.db2.gz USCZEDQIRAABIL-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO C=CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279631397 427716403 /nfs/dbraw/zinc/71/64/03/427716403.db2.gz USCZEDQIRAABIL-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO Cc1ccnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000336874584 427770189 /nfs/dbraw/zinc/77/01/89/427770189.db2.gz XAXPPIMJWBLSBP-UHFFFAOYSA-N 1 2 308.385 2.700 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980820 427726948 /nfs/dbraw/zinc/72/69/48/427726948.db2.gz ZMSVPQYFDCBTPU-IIDMSEBBSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980820 427726951 /nfs/dbraw/zinc/72/69/51/427726951.db2.gz ZMSVPQYFDCBTPU-IIDMSEBBSA-N 1 2 319.832 2.960 20 30 DFEDLO COC(=O)N1CCC([C@H](C)/[NH+]=C/c2cccc(OC)c2O)CC1 ZINC000185916993 427729251 /nfs/dbraw/zinc/72/92/51/427729251.db2.gz FLWRMFMROZMTJC-HWQJWEFDSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000298956715 427734071 /nfs/dbraw/zinc/73/40/71/427734071.db2.gz OQUZJKHTGJHJET-ZDUSSCGKSA-N 1 2 303.362 2.634 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000298956715 427734074 /nfs/dbraw/zinc/73/40/74/427734074.db2.gz OQUZJKHTGJHJET-ZDUSSCGKSA-N 1 2 303.362 2.634 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339238423 427737799 /nfs/dbraw/zinc/73/77/99/427737799.db2.gz WDFIAOAJWYTIGJ-SJORKVTESA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339238423 427737802 /nfs/dbraw/zinc/73/78/02/427737802.db2.gz WDFIAOAJWYTIGJ-SJORKVTESA-N 1 2 315.417 2.581 20 30 DFEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Cl ZINC000339258769 427743735 /nfs/dbraw/zinc/74/37/35/427743735.db2.gz SMWBQADYARWCHU-UHFFFAOYSA-N 1 2 305.809 2.724 20 30 DFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Cl ZINC000339258769 427743738 /nfs/dbraw/zinc/74/37/38/427743738.db2.gz SMWBQADYARWCHU-UHFFFAOYSA-N 1 2 305.809 2.724 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339274126 427747726 /nfs/dbraw/zinc/74/77/26/427747726.db2.gz LDQQHZXXCSPOOT-CVEARBPZSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339274126 427747729 /nfs/dbraw/zinc/74/77/29/427747729.db2.gz LDQQHZXXCSPOOT-CVEARBPZSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339274128 427748273 /nfs/dbraw/zinc/74/82/73/427748273.db2.gz LDQQHZXXCSPOOT-HZPDHXFCSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339274128 427748276 /nfs/dbraw/zinc/74/82/76/427748276.db2.gz LDQQHZXXCSPOOT-HZPDHXFCSA-N 1 2 323.481 2.664 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336809203 427753182 /nfs/dbraw/zinc/75/31/82/427753182.db2.gz DVECTQLBBQIUMH-TUKIKUTGSA-N 1 2 321.218 2.523 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336809203 427753184 /nfs/dbraw/zinc/75/31/84/427753184.db2.gz DVECTQLBBQIUMH-TUKIKUTGSA-N 1 2 321.218 2.523 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339564939 427793188 /nfs/dbraw/zinc/79/31/88/427793188.db2.gz BEDHUIZOZRDXFK-MXWKQRLJSA-N 1 2 303.431 2.776 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339564939 427793189 /nfs/dbraw/zinc/79/31/89/427793189.db2.gz BEDHUIZOZRDXFK-MXWKQRLJSA-N 1 2 303.431 2.776 20 30 DFEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3ccccc32)CC1 ZINC000301501656 427800659 /nfs/dbraw/zinc/80/06/59/427800659.db2.gz FAWYVUCIGBERCW-HNNXBMFYSA-N 1 2 323.444 2.544 20 30 DFEDLO Cc1ccnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000339665169 427808768 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C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000370697597 428277396 /nfs/dbraw/zinc/27/73/96/428277396.db2.gz GUAYMRAESIXJMI-QGZVFWFLSA-N 1 2 320.396 2.901 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000370697597 428277402 /nfs/dbraw/zinc/27/74/02/428277402.db2.gz GUAYMRAESIXJMI-QGZVFWFLSA-N 1 2 320.396 2.901 20 30 DFEDLO CN(C(=O)c1cc(C#N)ccn1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781152 428246558 /nfs/dbraw/zinc/24/65/58/428246558.db2.gz XQFHQZKZLAGYHN-INIZCTEOSA-N 1 2 317.352 2.538 20 30 DFEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346829546 428335392 /nfs/dbraw/zinc/33/53/92/428335392.db2.gz GOZCHHFEWXLNPF-LBPRGKRZSA-N 1 2 305.809 2.895 20 30 DFEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346829546 428335397 /nfs/dbraw/zinc/33/53/97/428335397.db2.gz GOZCHHFEWXLNPF-LBPRGKRZSA-N 1 2 305.809 2.895 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000352995115 428344267 /nfs/dbraw/zinc/34/42/67/428344267.db2.gz WURBPATULNEWDQ-CYBMUJFWSA-N 1 2 324.384 2.704 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3cccnc3)CC2)CCCCC1 ZINC000371410640 428389024 /nfs/dbraw/zinc/38/90/24/428389024.db2.gz UMIAKIHIJXCQIU-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3cccnc3)CC2)CCCCC1 ZINC000371410640 428389029 /nfs/dbraw/zinc/38/90/29/428389029.db2.gz UMIAKIHIJXCQIU-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1cccc(C#N)c1 ZINC000360609273 428366784 /nfs/dbraw/zinc/36/67/84/428366784.db2.gz BBOLNWIWEAITPD-WBMJQRKESA-N 1 2 308.385 2.663 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOC[C@H]3c3ccccc3)n2c1 ZINC000372404626 428441104 /nfs/dbraw/zinc/44/11/04/428441104.db2.gz OCSOXVNZPJAXOB-SFHVURJKSA-N 1 2 318.380 2.779 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C[C@H](C)C#N ZINC000353290732 428470708 /nfs/dbraw/zinc/47/07/08/428470708.db2.gz WYWWXFJANXHNOH-GDBMZVCRSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C[C@H](C)C#N ZINC000353290732 428470712 /nfs/dbraw/zinc/47/07/12/428470712.db2.gz WYWWXFJANXHNOH-GDBMZVCRSA-N 1 2 301.434 2.524 20 30 DFEDLO CCCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372192591 428422541 /nfs/dbraw/zinc/42/25/41/428422541.db2.gz ONGJMGRTZBFIAY-UHFFFAOYSA-N 1 2 302.393 2.512 20 30 DFEDLO CCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372192591 428422547 /nfs/dbraw/zinc/42/25/47/428422547.db2.gz ONGJMGRTZBFIAY-UHFFFAOYSA-N 1 2 302.393 2.512 20 30 DFEDLO C=CCC1(c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000347248409 428512675 /nfs/dbraw/zinc/51/26/75/428512675.db2.gz LTHRAKMEEKFCSJ-ZIAGYGMSSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCC1(c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000347248409 428512676 /nfs/dbraw/zinc/51/26/76/428512676.db2.gz LTHRAKMEEKFCSJ-ZIAGYGMSSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCSCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343100575 428519375 /nfs/dbraw/zinc/51/93/75/428519375.db2.gz VVWAMLRNKHVEMU-OAHLLOKOSA-N 1 2 315.442 2.967 20 30 DFEDLO N#Cc1cc(N(C#N)Cc2[nH+]ccn2CC(F)(F)F)ccc1F ZINC000343869471 428585882 /nfs/dbraw/zinc/58/58/82/428585882.db2.gz VOLNRMOOUPDQJZ-UHFFFAOYSA-N 1 2 323.253 2.944 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1OCCCC#N ZINC000353545496 428588469 /nfs/dbraw/zinc/58/84/69/428588469.db2.gz RTIIKKJWPKAVHQ-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1OCCCC#N ZINC000353545496 428588473 /nfs/dbraw/zinc/58/84/73/428588473.db2.gz RTIIKKJWPKAVHQ-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000343278256 428542311 /nfs/dbraw/zinc/54/23/11/428542311.db2.gz GZQBKWRWJWBOIO-RHSMWYFYSA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000343278256 428542314 /nfs/dbraw/zinc/54/23/14/428542314.db2.gz GZQBKWRWJWBOIO-RHSMWYFYSA-N 1 2 314.389 2.507 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)C1CC1 ZINC000357550911 428545677 /nfs/dbraw/zinc/54/56/77/428545677.db2.gz IBHKWIBTGQOMHI-UHFFFAOYSA-N 1 2 322.430 2.740 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)C1CC1 ZINC000357550911 428545683 /nfs/dbraw/zinc/54/56/83/428545683.db2.gz IBHKWIBTGQOMHI-UHFFFAOYSA-N 1 2 322.430 2.740 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](CCC#N)c1ccccc1)CC2 ZINC000373314893 428547270 /nfs/dbraw/zinc/54/72/70/428547270.db2.gz ANCROZOWZKGJEL-INIZCTEOSA-N 1 2 323.400 2.762 20 30 DFEDLO Cc1ccnc(NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000343436970 428549534 /nfs/dbraw/zinc/54/95/34/428549534.db2.gz MLOXZCINKJMFMB-UHFFFAOYSA-N 1 2 303.369 3.334 20 30 DFEDLO COc1cc(CNc2nc(C)[nH+]c3c2CCCC3)ccc1C#N ZINC000357620127 428550455 /nfs/dbraw/zinc/55/04/55/428550455.db2.gz FWFQNMFRIZMFGL-UHFFFAOYSA-N 1 2 308.385 3.156 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373338660 428552443 /nfs/dbraw/zinc/55/24/43/428552443.db2.gz GFNJJYLTPQOAGJ-CYBMUJFWSA-N 1 2 307.463 2.826 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(Cl)c1 ZINC000361408813 428564476 /nfs/dbraw/zinc/56/44/76/428564476.db2.gz QILJWCATQVNWKS-LBPRGKRZSA-N 1 2 300.736 2.661 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(Cl)c1 ZINC000361408813 428564483 /nfs/dbraw/zinc/56/44/83/428564483.db2.gz QILJWCATQVNWKS-LBPRGKRZSA-N 1 2 300.736 2.661 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000357985225 428574437 /nfs/dbraw/zinc/57/44/37/428574437.db2.gz WXOXGRSRBUMQEW-CYBMUJFWSA-N 1 2 310.401 2.922 20 30 DFEDLO CCc1nnc(NCc2ccc[nH+]c2N(C)C)c(C#N)c1CC ZINC000343836427 428578162 /nfs/dbraw/zinc/57/81/62/428578162.db2.gz HXXVOHHCELEENG-UHFFFAOYSA-N 1 2 310.405 2.546 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000344353391 428634121 /nfs/dbraw/zinc/63/41/21/428634121.db2.gz PLXNDSVNHUKWHF-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000344353391 428634126 /nfs/dbraw/zinc/63/41/26/428634126.db2.gz PLXNDSVNHUKWHF-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO Cc1sc2nc(C[NH+]3CCC(C#N)CC3)nc(N)c2c1C ZINC000408087432 428600290 /nfs/dbraw/zinc/60/02/90/428600290.db2.gz DSBXFPUFQBDNOE-UHFFFAOYSA-N 1 2 301.419 2.626 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)cs1 ZINC000361935037 428606026 /nfs/dbraw/zinc/60/60/26/428606026.db2.gz AYNJUDPQSYSIAO-AWEZNQCLSA-N 1 2 320.462 2.741 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc(C)cs1 ZINC000361935037 428606029 /nfs/dbraw/zinc/60/60/29/428606029.db2.gz AYNJUDPQSYSIAO-AWEZNQCLSA-N 1 2 320.462 2.741 20 30 DFEDLO C=CCN1CC[C@H](N(C)c2cc(C(C)C)[nH+]c(C(C)C)n2)C1=O ZINC000358657710 428622147 /nfs/dbraw/zinc/62/21/47/428622147.db2.gz CUSTVPDTBIOORO-HNNXBMFYSA-N 1 2 316.449 2.947 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000347938165 428632071 /nfs/dbraw/zinc/63/20/71/428632071.db2.gz AVFVEPSKASUUDK-ZDUSSCGKSA-N 1 2 315.373 2.864 20 30 DFEDLO C=CCOCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000348047955 428634995 /nfs/dbraw/zinc/63/49/95/428634995.db2.gz GMZKEXFJGMLRGM-AWEZNQCLSA-N 1 2 309.431 2.614 20 30 DFEDLO C=CCOCCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000348047955 428634998 /nfs/dbraw/zinc/63/49/98/428634998.db2.gz GMZKEXFJGMLRGM-AWEZNQCLSA-N 1 2 309.431 2.614 20 30 DFEDLO C=CCOCCCN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000348040522 428635165 /nfs/dbraw/zinc/63/51/65/428635165.db2.gz VUZGYUOLVJVAGR-KRWDZBQOSA-N 1 2 318.461 2.967 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000344399271 428635218 /nfs/dbraw/zinc/63/52/18/428635218.db2.gz IQDSRXTWQRHEMO-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000344399271 428635225 /nfs/dbraw/zinc/63/52/25/428635225.db2.gz IQDSRXTWQRHEMO-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 ZINC000373851828 428651773 /nfs/dbraw/zinc/65/17/73/428651773.db2.gz SNOUXXQCFJLMLB-MRXNPFEDSA-N 1 2 308.385 2.621 20 30 DFEDLO N#Cc1ccc(SCC(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000358772790 428667445 /nfs/dbraw/zinc/66/74/45/428667445.db2.gz ZRLOVBHPIHUEEE-UHFFFAOYSA-N 1 2 308.366 2.937 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000348398670 428730861 /nfs/dbraw/zinc/73/08/61/428730861.db2.gz CMGDMRNDBNCTMC-JTQLQIEISA-N 1 2 318.402 2.822 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000374352128 428677497 /nfs/dbraw/zinc/67/74/97/428677497.db2.gz OITDFSBUHFYRFF-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000374352128 428677500 /nfs/dbraw/zinc/67/75/00/428677500.db2.gz OITDFSBUHFYRFF-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO N#CC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000374456175 428679184 /nfs/dbraw/zinc/67/91/84/428679184.db2.gz JEGPQCCQZPDRBM-AWEZNQCLSA-N 1 2 312.417 2.619 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000362282396 428684700 /nfs/dbraw/zinc/68/47/00/428684700.db2.gz GRSUVSJUBSBIPP-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000362505267 428774282 /nfs/dbraw/zinc/77/42/82/428774282.db2.gz MCFROVFAGYKQFW-IBGZPJMESA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000362505267 428774284 /nfs/dbraw/zinc/77/42/84/428774284.db2.gz MCFROVFAGYKQFW-IBGZPJMESA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000359032345 428781549 /nfs/dbraw/zinc/78/15/49/428781549.db2.gz OXLFDMCXEUWHIX-CQSZACIVSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000359032345 428781555 /nfs/dbraw/zinc/78/15/55/428781555.db2.gz OXLFDMCXEUWHIX-CQSZACIVSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362518112 428781791 /nfs/dbraw/zinc/78/17/91/428781791.db2.gz GVFNXWOZKNSXOI-IBGZPJMESA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362518112 428781795 /nfs/dbraw/zinc/78/17/95/428781795.db2.gz GVFNXWOZKNSXOI-IBGZPJMESA-N 1 2 317.429 2.879 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(C)n2)c(C#N)c1C ZINC000348573913 428793711 /nfs/dbraw/zinc/79/37/11/428793711.db2.gz YITGFNDUHSRGMX-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(C)n2)c(C#N)c1C ZINC000348573913 428793716 /nfs/dbraw/zinc/79/37/16/428793716.db2.gz YITGFNDUHSRGMX-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO C=CCCCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000359054590 428795280 /nfs/dbraw/zinc/79/52/80/428795280.db2.gz KUPQCXOGGAPWQR-UHFFFAOYSA-N 1 2 314.389 2.694 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411757239 428852531 /nfs/dbraw/zinc/85/25/31/428852531.db2.gz LJWZKOHGCOPARU-CQSZACIVSA-N 1 2 306.431 2.550 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411757239 428852536 /nfs/dbraw/zinc/85/25/36/428852536.db2.gz LJWZKOHGCOPARU-CQSZACIVSA-N 1 2 306.431 2.550 20 30 DFEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411481176 428806436 /nfs/dbraw/zinc/80/64/36/428806436.db2.gz AMUZIWMYYKSZNK-HUUCEWRRSA-N 1 2 308.422 2.503 20 30 DFEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411481176 428806441 /nfs/dbraw/zinc/80/64/41/428806441.db2.gz AMUZIWMYYKSZNK-HUUCEWRRSA-N 1 2 308.422 2.503 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000411500838 428807516 /nfs/dbraw/zinc/80/75/16/428807516.db2.gz GBHFWGGRSRPKFH-JKSUJKDBSA-N 1 2 322.449 2.798 20 30 DFEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCn2cc[nH+]c2C1 ZINC000359096292 428814278 /nfs/dbraw/zinc/81/42/78/428814278.db2.gz CQTYDLGUHZGCSL-UHFFFAOYSA-N 1 2 314.437 2.660 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363407101 428910165 /nfs/dbraw/zinc/91/01/65/428910165.db2.gz ZQDSBGZRGUGIOO-INIZCTEOSA-N 1 2 321.371 2.864 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363407101 428910170 /nfs/dbraw/zinc/91/01/70/428910170.db2.gz ZQDSBGZRGUGIOO-INIZCTEOSA-N 1 2 321.371 2.864 20 30 DFEDLO C=CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000363124246 428863916 /nfs/dbraw/zinc/86/39/16/428863916.db2.gz QRVYOTSQFLTVSU-KRWDZBQOSA-N 1 2 313.401 2.991 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000375501539 428899888 /nfs/dbraw/zinc/89/98/88/428899888.db2.gz NEZYMCNULAFSSA-CYBMUJFWSA-N 1 2 324.384 2.743 20 30 DFEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)nc1C1CC1 ZINC000349156420 428932838 /nfs/dbraw/zinc/93/28/38/428932838.db2.gz XTLMVTAVQJVLMW-UHFFFAOYSA-N 1 2 311.341 2.500 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1C1CC1 ZINC000363520529 428934937 /nfs/dbraw/zinc/93/49/37/428934937.db2.gz RZBOJZYCTSSQCN-MRXNPFEDSA-N 1 2 307.397 2.718 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1C1CC1 ZINC000363520529 428934943 /nfs/dbraw/zinc/93/49/43/428934943.db2.gz RZBOJZYCTSSQCN-MRXNPFEDSA-N 1 2 307.397 2.718 20 30 DFEDLO CCCC(=O)N1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000363616035 428955930 /nfs/dbraw/zinc/95/59/30/428955930.db2.gz YGRQKDPOMSRPGG-UHFFFAOYSA-N 1 2 324.428 2.645 20 30 DFEDLO CCCC(=O)N1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000363616035 428955935 /nfs/dbraw/zinc/95/59/35/428955935.db2.gz YGRQKDPOMSRPGG-UHFFFAOYSA-N 1 2 324.428 2.645 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCOc3cc(O)ccc3C2)cn2ccccc12 ZINC000375753081 428961225 /nfs/dbraw/zinc/96/12/25/428961225.db2.gz HZLWSRDOLIFPQD-UHFFFAOYSA-N 1 2 319.364 2.911 20 30 DFEDLO N#Cc1c(C[N@H+]2CCOc3cc(O)ccc3C2)cn2ccccc12 ZINC000375753081 428961228 /nfs/dbraw/zinc/96/12/28/428961228.db2.gz HZLWSRDOLIFPQD-UHFFFAOYSA-N 1 2 319.364 2.911 20 30 DFEDLO Cc1nc([C@](C)([NH2+]CCOc2cccc(C#N)c2)C2CC2)no1 ZINC000433292336 429021826 /nfs/dbraw/zinc/02/18/26/429021826.db2.gz ZOMRMBCJJWPDDJ-QGZVFWFLSA-N 1 2 312.373 2.544 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451975839 429031286 /nfs/dbraw/zinc/03/12/86/429031286.db2.gz WTNJNDPXQHMEAA-INIZCTEOSA-N 1 2 321.371 2.864 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451975839 429031290 /nfs/dbraw/zinc/03/12/90/429031290.db2.gz WTNJNDPXQHMEAA-INIZCTEOSA-N 1 2 321.371 2.864 20 30 DFEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000420928816 428973077 /nfs/dbraw/zinc/97/30/77/428973077.db2.gz PWZZOMSLXJROTF-NWDGAFQWSA-N 1 2 321.446 2.957 20 30 DFEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000420928816 428973083 /nfs/dbraw/zinc/97/30/83/428973083.db2.gz PWZZOMSLXJROTF-NWDGAFQWSA-N 1 2 321.446 2.957 20 30 DFEDLO N#Cc1cnc(NCc2ccc(-n3cc[nH+]c3)nc2)c(Cl)c1 ZINC000363750082 428982271 /nfs/dbraw/zinc/98/22/71/428982271.db2.gz MDXXJGUDKBYVPZ-UHFFFAOYSA-N 1 2 310.748 2.799 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000421323020 428988990 /nfs/dbraw/zinc/98/89/90/428988990.db2.gz FRZJTWJDABCSAE-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834702 428990707 /nfs/dbraw/zinc/99/07/07/428990707.db2.gz JDRPFQFJYNEZEU-HIFRSBDPSA-N 1 2 301.390 2.567 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834702 428990714 /nfs/dbraw/zinc/99/07/14/428990714.db2.gz JDRPFQFJYNEZEU-HIFRSBDPSA-N 1 2 301.390 2.567 20 30 DFEDLO Cc1cc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)cc(C)[nH+]1 ZINC000421579154 429001683 /nfs/dbraw/zinc/00/16/83/429001683.db2.gz SNBQQFDFHXICLR-UHFFFAOYSA-N 1 2 308.385 2.566 20 30 DFEDLO Cc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000421581247 429001906 /nfs/dbraw/zinc/00/19/06/429001906.db2.gz XXLZPWGRRKRQDU-UHFFFAOYSA-N 1 2 305.381 2.918 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000424073072 429087441 /nfs/dbraw/zinc/08/74/41/429087441.db2.gz ZRTREFSETLIBMA-CQSZACIVSA-N 1 2 311.389 2.547 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000453148254 429148545 /nfs/dbraw/zinc/14/85/45/429148545.db2.gz JSTWKUHOFHALKL-AWEZNQCLSA-N 1 2 305.303 2.988 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)nn1 ZINC000424171672 429104552 /nfs/dbraw/zinc/10/45/52/429104552.db2.gz MMXUOYKNBLTUTG-UHFFFAOYSA-N 1 2 316.405 2.550 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2csc(Br)c2)nn1 ZINC000424176425 429104958 /nfs/dbraw/zinc/10/49/58/429104958.db2.gz XRECTAWKGGAIHW-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCCn3ncnc32)c1Cl ZINC000376457553 429116354 /nfs/dbraw/zinc/11/63/54/429116354.db2.gz HTOFBGMXAIEHOV-GFCCVEGCSA-N 1 2 305.744 2.567 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000454225244 429161913 /nfs/dbraw/zinc/16/19/13/429161913.db2.gz ZRTFRDLNZASWLT-SJORKVTESA-N 1 2 317.433 2.546 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000454225244 429161918 /nfs/dbraw/zinc/16/19/18/429161918.db2.gz ZRTFRDLNZASWLT-SJORKVTESA-N 1 2 317.433 2.546 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000494916074 429163535 /nfs/dbraw/zinc/16/35/35/429163535.db2.gz GUUCGUPCKBSYLH-LLVKDONJSA-N 1 2 316.327 2.696 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000454296945 429163979 /nfs/dbraw/zinc/16/39/79/429163979.db2.gz DDALNZFKMPQLJS-UHFFFAOYSA-N 1 2 306.797 2.999 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454734528 429171891 /nfs/dbraw/zinc/17/18/91/429171891.db2.gz AEQFNFYNHBMFPJ-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454734528 429171895 /nfs/dbraw/zinc/17/18/95/429171895.db2.gz AEQFNFYNHBMFPJ-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO C=CCn1cccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000488360448 429178164 /nfs/dbraw/zinc/17/81/64/429178164.db2.gz CIFRMWLJHKOLNQ-UHFFFAOYSA-N 1 2 308.385 2.762 20 30 DFEDLO C=CCCCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443036703 429243708 /nfs/dbraw/zinc/24/37/08/429243708.db2.gz AMGLMWQRKWFKSN-UHFFFAOYSA-N 1 2 319.430 2.566 20 30 DFEDLO COc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1OC(F)F ZINC000425210734 429246445 /nfs/dbraw/zinc/24/64/45/429246445.db2.gz VLENZTYDPDDLKA-UHFFFAOYSA-N 1 2 319.311 2.906 20 30 DFEDLO Cc1cc(NCc2ccc(NC(=O)NC(C)C)cc2)c(C#N)c[nH+]1 ZINC000425211516 429247006 /nfs/dbraw/zinc/24/70/06/429247006.db2.gz XEKAMQPCCDBTGP-UHFFFAOYSA-N 1 2 323.400 2.826 20 30 DFEDLO Cc1cc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425251664 429251621 /nfs/dbraw/zinc/25/16/21/429251621.db2.gz FWYVOFDMBKOITK-TZMCWYRMSA-N 1 2 313.323 2.579 20 30 DFEDLO Cc1cc(N2CCC(n3cc(Cl)cn3)CC2)c(C#N)c[nH+]1 ZINC000425248719 429251842 /nfs/dbraw/zinc/25/18/42/429251842.db2.gz RXSDYMKSADUOKP-UHFFFAOYSA-N 1 2 301.781 2.953 20 30 DFEDLO Cc1cc(N2CCC[C@@](CO)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425260858 429252535 /nfs/dbraw/zinc/25/25/35/429252535.db2.gz PPESTEXWDXTHDX-LJQANCHMSA-N 1 2 307.397 2.792 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000425278013 429256402 /nfs/dbraw/zinc/25/64/02/429256402.db2.gz GDDXFKGRGRRHCA-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000425278013 429256405 /nfs/dbraw/zinc/25/64/05/429256405.db2.gz GDDXFKGRGRRHCA-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO N#CCC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425303032 429260663 /nfs/dbraw/zinc/26/06/63/429260663.db2.gz ODQGXILLMWIEJL-OAHLLOKOSA-N 1 2 308.385 2.742 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1 ZINC000456345258 429282296 /nfs/dbraw/zinc/28/22/96/429282296.db2.gz HZBUBAKKIPNZKK-AWEZNQCLSA-N 1 2 313.401 2.888 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000497121654 429318848 /nfs/dbraw/zinc/31/88/48/429318848.db2.gz ADHBPNJGKJWHPY-KOLCDFICSA-N 1 2 319.243 2.740 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000497121654 429318851 /nfs/dbraw/zinc/31/88/51/429318851.db2.gz ADHBPNJGKJWHPY-KOLCDFICSA-N 1 2 319.243 2.740 20 30 DFEDLO CN(CCC[N@H+](C)Cc1nc(C#N)cs1)C(=O)OC(C)(C)C ZINC000497214155 429320568 /nfs/dbraw/zinc/32/05/68/429320568.db2.gz ZYMHYUQRYUJWGZ-UHFFFAOYSA-N 1 2 324.450 2.704 20 30 DFEDLO CN(CCC[N@@H+](C)Cc1nc(C#N)cs1)C(=O)OC(C)(C)C ZINC000497214155 429320573 /nfs/dbraw/zinc/32/05/73/429320573.db2.gz ZYMHYUQRYUJWGZ-UHFFFAOYSA-N 1 2 324.450 2.704 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000365465691 429323530 /nfs/dbraw/zinc/32/35/30/429323530.db2.gz SYJWFVRADBSBME-IWAYRVGRSA-N 1 2 320.396 2.711 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000365510878 429332037 /nfs/dbraw/zinc/33/20/37/429332037.db2.gz CIVWXILIYAMWDD-AWEZNQCLSA-N 1 2 309.373 2.703 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)s2)n1 ZINC000491241723 429339458 /nfs/dbraw/zinc/33/94/58/429339458.db2.gz LIPUMRRVWDJALU-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)s2)n1 ZINC000491241723 429339459 /nfs/dbraw/zinc/33/94/59/429339459.db2.gz LIPUMRRVWDJALU-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(C3CC3)s2)n1 ZINC000491288382 429344681 /nfs/dbraw/zinc/34/46/81/429344681.db2.gz RLVDDVBRFGOXMK-UHFFFAOYSA-N 1 2 300.431 2.872 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(C3CC3)s2)n1 ZINC000491288382 429344684 /nfs/dbraw/zinc/34/46/84/429344684.db2.gz RLVDDVBRFGOXMK-UHFFFAOYSA-N 1 2 300.431 2.872 20 30 DFEDLO C#CCCCC(=O)N(CC)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000365292566 429295729 /nfs/dbraw/zinc/29/57/29/429295729.db2.gz PUNTWODLPHQVLJ-KRWDZBQOSA-N 1 2 310.401 2.557 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456410746 429302057 /nfs/dbraw/zinc/30/20/57/429302057.db2.gz GLPNMCDOHHWPDL-DOMZBBRYSA-N 1 2 324.384 2.734 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425470619 429303246 /nfs/dbraw/zinc/30/32/46/429303246.db2.gz GHCYSGDXVVHVPN-LBPRGKRZSA-N 1 2 314.476 2.539 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425470619 429303248 /nfs/dbraw/zinc/30/32/48/429303248.db2.gz GHCYSGDXVVHVPN-LBPRGKRZSA-N 1 2 314.476 2.539 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405893 429303514 /nfs/dbraw/zinc/30/35/14/429303514.db2.gz RKKJHIZNEYDGNT-CQSZACIVSA-N 1 2 318.465 2.728 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405893 429303516 /nfs/dbraw/zinc/30/35/16/429303516.db2.gz RKKJHIZNEYDGNT-CQSZACIVSA-N 1 2 318.465 2.728 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C#N)c(F)c1 ZINC000447842893 429306697 /nfs/dbraw/zinc/30/66/97/429306697.db2.gz KHWJWLQVSFYTCV-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)c(F)c1 ZINC000447842893 429306700 /nfs/dbraw/zinc/30/67/00/429306700.db2.gz KHWJWLQVSFYTCV-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000490800148 429307408 /nfs/dbraw/zinc/30/74/08/429307408.db2.gz OHWZSGYFNQUSRB-UHFFFAOYSA-N 1 2 301.415 2.688 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000490800148 429307412 /nfs/dbraw/zinc/30/74/12/429307412.db2.gz OHWZSGYFNQUSRB-UHFFFAOYSA-N 1 2 301.415 2.688 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC#Cc2ccccc2)s1 ZINC000425489124 429308928 /nfs/dbraw/zinc/30/89/28/429308928.db2.gz NOXJIRSMIRTFTI-LBPRGKRZSA-N 1 2 300.383 2.632 20 30 DFEDLO C=CC(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000448712273 429315583 /nfs/dbraw/zinc/31/55/83/429315583.db2.gz XYVPIAYIGFBRCT-KBPBESRZSA-N 1 2 317.433 2.524 20 30 DFEDLO C#C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc(Cl)cc1 ZINC000491697014 429393104 /nfs/dbraw/zinc/39/31/04/429393104.db2.gz ZJFVECPBRYLWGY-OAHLLOKOSA-N 1 2 312.804 2.904 20 30 DFEDLO C#C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc(Cl)cc1 ZINC000491697014 429393107 /nfs/dbraw/zinc/39/31/07/429393107.db2.gz ZJFVECPBRYLWGY-OAHLLOKOSA-N 1 2 312.804 2.904 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491726249 429396960 /nfs/dbraw/zinc/39/69/60/429396960.db2.gz CWBVJYOLIARUIM-QFBILLFUSA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000491726249 429396965 /nfs/dbraw/zinc/39/69/65/429396965.db2.gz CWBVJYOLIARUIM-QFBILLFUSA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1 ZINC000491723216 429397299 /nfs/dbraw/zinc/39/72/99/429397299.db2.gz ASOPBYIGLTWZAE-UHFFFAOYSA-N 1 2 316.408 2.962 20 30 DFEDLO C#CC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1 ZINC000491723216 429397304 /nfs/dbraw/zinc/39/73/04/429397304.db2.gz ASOPBYIGLTWZAE-UHFFFAOYSA-N 1 2 316.408 2.962 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491734125 429398762 /nfs/dbraw/zinc/39/87/62/429398762.db2.gz RRGBESUDCCWICA-HOCLYGCPSA-N 1 2 308.385 2.734 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491757775 429404412 /nfs/dbraw/zinc/40/44/12/429404412.db2.gz FLOMRXNCVTVKSY-GFCCVEGCSA-N 1 2 315.442 2.781 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491757775 429404414 /nfs/dbraw/zinc/40/44/14/429404414.db2.gz FLOMRXNCVTVKSY-GFCCVEGCSA-N 1 2 315.442 2.781 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000491754470 429404427 /nfs/dbraw/zinc/40/44/27/429404427.db2.gz SYQVDDFYVWYJCS-MRVPVSSYSA-N 1 2 310.151 2.546 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000491754470 429404430 /nfs/dbraw/zinc/40/44/30/429404430.db2.gz SYQVDDFYVWYJCS-MRVPVSSYSA-N 1 2 310.151 2.546 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766434 429405088 /nfs/dbraw/zinc/40/50/88/429405088.db2.gz HAFWIVKMLJCEDF-GXTWGEPZSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766434 429405093 /nfs/dbraw/zinc/40/50/93/429405093.db2.gz HAFWIVKMLJCEDF-GXTWGEPZSA-N 1 2 324.346 2.932 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc3cc[nH]c32)n1 ZINC000491786826 429409225 /nfs/dbraw/zinc/40/92/25/429409225.db2.gz WTFGLARBQOZJPS-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc3cc[nH]c32)n1 ZINC000491786826 429409231 /nfs/dbraw/zinc/40/92/31/429409231.db2.gz WTFGLARBQOZJPS-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000491545799 429371821 /nfs/dbraw/zinc/37/18/21/429371821.db2.gz SEGSZCVLZOCUIN-QGZVFWFLSA-N 1 2 309.413 2.638 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000491538014 429372793 /nfs/dbraw/zinc/37/27/93/429372793.db2.gz WCHFNECGZRZQGD-KGLIPLIRSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1 ZINC000491538014 429372796 /nfs/dbraw/zinc/37/27/96/429372796.db2.gz WCHFNECGZRZQGD-KGLIPLIRSA-N 1 2 313.788 2.974 20 30 DFEDLO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000514941290 429372929 /nfs/dbraw/zinc/37/29/29/429372929.db2.gz BSHFCFUYEBUSIF-JENIJYKNSA-N 1 2 313.445 2.874 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000515354576 429375987 /nfs/dbraw/zinc/37/59/87/429375987.db2.gz CNQWMFHQTPDMGC-LLVKDONJSA-N 1 2 310.195 2.669 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(F)cc1 ZINC000491628948 429382528 /nfs/dbraw/zinc/38/25/28/429382528.db2.gz LSXPFCZMOZFOAY-BYCMXARLSA-N 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/nfs/dbraw/zinc/46/75/51/429467551.db2.gz HDLPYILUCBVXDH-UHFFFAOYSA-N 1 2 320.400 2.656 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427539 429413179 /nfs/dbraw/zinc/41/31/79/429413179.db2.gz SODHXGVMKDUWOQ-RTBURBONSA-N 1 2 310.372 2.858 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427539 429413183 /nfs/dbraw/zinc/41/31/83/429413183.db2.gz SODHXGVMKDUWOQ-RTBURBONSA-N 1 2 310.372 2.858 20 30 DFEDLO CC(C)c1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc[nH+]1 ZINC000366184452 429430983 /nfs/dbraw/zinc/43/09/83/429430983.db2.gz JPHZIPHIIHFAAE-AWEZNQCLSA-N 1 2 309.373 2.524 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000519713136 429481364 /nfs/dbraw/zinc/48/13/64/429481364.db2.gz OKOUURXIUKKWOQ-GOSISDBHSA-N 1 2 302.393 2.758 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000519713136 429481366 /nfs/dbraw/zinc/48/13/66/429481366.db2.gz OKOUURXIUKKWOQ-GOSISDBHSA-N 1 2 302.393 2.758 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000366623226 429487942 /nfs/dbraw/zinc/48/79/42/429487942.db2.gz FCLMJVMOGHMKSN-UHFFFAOYSA-N 1 2 320.352 2.790 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC000519831362 429494407 /nfs/dbraw/zinc/49/44/07/429494407.db2.gz XZTFFEIIJMCCFD-UHFFFAOYSA-N 1 2 308.385 2.938 20 30 DFEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)o3)c[nH+]2)CC1 ZINC000428157871 429495507 /nfs/dbraw/zinc/49/55/07/429495507.db2.gz CHGGLEKAEWZXLV-UHFFFAOYSA-N 1 2 324.384 2.713 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238580 429503179 /nfs/dbraw/zinc/50/31/79/429503179.db2.gz NXZVFABSXWCHAR-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238580 429503185 /nfs/dbraw/zinc/50/31/85/429503185.db2.gz NXZVFABSXWCHAR-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000366968009 429549820 /nfs/dbraw/zinc/54/98/20/429549820.db2.gz BPESQOQVKARQSY-SFHVURJKSA-N 1 2 315.417 2.813 20 30 DFEDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000366968009 429549822 /nfs/dbraw/zinc/54/98/22/429549822.db2.gz BPESQOQVKARQSY-SFHVURJKSA-N 1 2 315.417 2.813 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026157 429561408 /nfs/dbraw/zinc/56/14/08/429561408.db2.gz KCCOBNQMHYOPTK-ROUUACIJSA-N 1 2 317.408 2.612 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026157 429561412 /nfs/dbraw/zinc/56/14/12/429561412.db2.gz KCCOBNQMHYOPTK-ROUUACIJSA-N 1 2 317.408 2.612 20 30 DFEDLO CNC(=O)C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428968053 429564603 /nfs/dbraw/zinc/56/46/03/429564603.db2.gz ONVGIBIJJHVNKO-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000450229566 429583280 /nfs/dbraw/zinc/58/32/80/429583280.db2.gz OFWXDQLCHICTLZ-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000450229566 429583284 /nfs/dbraw/zinc/58/32/84/429583284.db2.gz OFWXDQLCHICTLZ-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO C=C1CC[NH+](Cc2nc(-c3ccc(OC)cc3OC)no2)CC1 ZINC000520850613 429532490 /nfs/dbraw/zinc/53/24/90/429532490.db2.gz STYSBVARMRYPIW-UHFFFAOYSA-N 1 2 315.373 2.906 20 30 DFEDLO N#CCOc1ccc(/C=C/C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000492831691 429626056 /nfs/dbraw/zinc/62/60/56/429626056.db2.gz LSRVPZORBHLPDD-ZZXKWVIFSA-N 1 2 318.336 2.889 20 30 DFEDLO Cc1nc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1C#N ZINC000450534982 429641975 /nfs/dbraw/zinc/64/19/75/429641975.db2.gz JORZGPGHKCLGDM-IYBDPMFKSA-N 1 2 307.401 3.492 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(F)c(C#N)c1 ZINC000367411381 429642363 /nfs/dbraw/zinc/64/23/63/429642363.db2.gz YYCZZSZKYIFQNH-UHFFFAOYSA-N 1 2 312.348 2.502 20 30 DFEDLO N#CCOc1ccc(/C=C/C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000492948480 429651613 /nfs/dbraw/zinc/65/16/13/429651613.db2.gz BWTVBKBMSIMLAF-RMKNXTFCSA-N 1 2 322.368 2.774 20 30 DFEDLO CC(C)[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000450305089 429596598 /nfs/dbraw/zinc/59/65/98/429596598.db2.gz UZCJHRPCDAVNMF-UHFFFAOYSA-N 1 2 309.417 2.970 20 30 DFEDLO CC(C)[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000450305089 429596601 /nfs/dbraw/zinc/59/66/01/429596601.db2.gz UZCJHRPCDAVNMF-UHFFFAOYSA-N 1 2 309.417 2.970 20 30 DFEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000367297285 429614410 /nfs/dbraw/zinc/61/44/10/429614410.db2.gz ZVBCIVYOVHKZKS-UHFFFAOYSA-N 1 2 320.396 2.906 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367574902 429674746 /nfs/dbraw/zinc/67/47/46/429674746.db2.gz JFZWRYKYCAENJN-CZUORRHYSA-N 1 2 319.836 2.750 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367574902 429674751 /nfs/dbraw/zinc/67/47/51/429674751.db2.gz JFZWRYKYCAENJN-CZUORRHYSA-N 1 2 319.836 2.750 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362439 429696100 /nfs/dbraw/zinc/69/61/00/429696100.db2.gz JPBAGIRVXZHUKV-CQSZACIVSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362439 429696102 /nfs/dbraw/zinc/69/61/02/429696102.db2.gz JPBAGIRVXZHUKV-CQSZACIVSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459397784 429696957 /nfs/dbraw/zinc/69/69/57/429696957.db2.gz JWISTHGGMXOCHR-ZBFHGGJFSA-N 1 2 317.389 2.695 20 30 DFEDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459397784 429696960 /nfs/dbraw/zinc/69/69/60/429696960.db2.gz JWISTHGGMXOCHR-ZBFHGGJFSA-N 1 2 317.389 2.695 20 30 DFEDLO CC(C)(C)[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459397782 429697399 /nfs/dbraw/zinc/69/73/99/429697399.db2.gz JWISTHGGMXOCHR-GOEBONIOSA-N 1 2 317.389 2.695 20 30 DFEDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459397782 429697403 /nfs/dbraw/zinc/69/74/03/429697403.db2.gz JWISTHGGMXOCHR-GOEBONIOSA-N 1 2 317.389 2.695 20 30 DFEDLO COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1C#N ZINC000459616044 429701105 /nfs/dbraw/zinc/70/11/05/429701105.db2.gz PZFFYYNFEHRPCO-UHFFFAOYSA-N 1 2 319.364 2.702 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000450832124 429708482 /nfs/dbraw/zinc/70/84/82/429708482.db2.gz QNQBINAQLWCROQ-SECBINFHSA-N 1 2 309.295 3.362 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518914 429723380 /nfs/dbraw/zinc/72/33/80/429723380.db2.gz MKZXTFAKUNQZAZ-XJKSGUPXSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518914 429723385 /nfs/dbraw/zinc/72/33/85/429723385.db2.gz MKZXTFAKUNQZAZ-XJKSGUPXSA-N 1 2 305.805 2.965 20 30 DFEDLO O=C1N=NC([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC000450899379 429725293 /nfs/dbraw/zinc/72/52/93/429725293.db2.gz WFNPTDDLUCYJCV-ZDUSSCGKSA-N 1 2 317.776 2.660 20 30 DFEDLO O=C1N=NC([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC000450899379 429725298 /nfs/dbraw/zinc/72/52/98/429725298.db2.gz WFNPTDDLUCYJCV-ZDUSSCGKSA-N 1 2 317.776 2.660 20 30 DFEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483204854 429732640 /nfs/dbraw/zinc/73/26/40/429732640.db2.gz XNTOKJXQAVUBLX-SFHVURJKSA-N 1 2 319.832 2.961 20 30 DFEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483204854 429732642 /nfs/dbraw/zinc/73/26/42/429732642.db2.gz XNTOKJXQAVUBLX-SFHVURJKSA-N 1 2 319.832 2.961 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CCCCC1 ZINC000451251977 429795800 /nfs/dbraw/zinc/79/58/00/429795800.db2.gz ZUESCHAWZLOIIF-MRXNPFEDSA-N 1 2 308.466 2.740 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)CCCCC1 ZINC000451251977 429795803 /nfs/dbraw/zinc/79/58/03/429795803.db2.gz ZUESCHAWZLOIIF-MRXNPFEDSA-N 1 2 308.466 2.740 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2cnn(CC)n2)ccc1OC ZINC000527733948 429788109 /nfs/dbraw/zinc/78/81/09/429788109.db2.gz IQPGDZPJGUKUQH-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493696884 429811296 /nfs/dbraw/zinc/81/12/96/429811296.db2.gz RLIULBJUBWYCPH-AISUJJHZSA-N 1 2 306.369 2.721 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000432265717 429811644 /nfs/dbraw/zinc/81/16/44/429811644.db2.gz VPQGPHLNKJQIFX-UHFFFAOYSA-N 1 2 309.373 2.649 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1coc(S(C)(=O)=O)c1 ZINC000528361402 429878984 /nfs/dbraw/zinc/87/89/84/429878984.db2.gz YNBIIBZUNCMKKX-UHFFFAOYSA-N 1 2 319.426 2.914 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1coc(S(C)(=O)=O)c1 ZINC000528361402 429878989 /nfs/dbraw/zinc/87/89/89/429878989.db2.gz YNBIIBZUNCMKKX-UHFFFAOYSA-N 1 2 319.426 2.914 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2O1 ZINC000368639686 429881684 /nfs/dbraw/zinc/88/16/84/429881684.db2.gz WVRLXPRSNWHPTD-AWEZNQCLSA-N 1 2 318.380 2.989 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2O1 ZINC000368639686 429881687 /nfs/dbraw/zinc/88/16/87/429881687.db2.gz WVRLXPRSNWHPTD-AWEZNQCLSA-N 1 2 318.380 2.989 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427939 429888295 /nfs/dbraw/zinc/88/82/95/429888295.db2.gz AVIBHPOOKMFFAR-WBVHZDCISA-N 1 2 318.392 2.562 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427939 429888296 /nfs/dbraw/zinc/88/82/96/429888296.db2.gz AVIBHPOOKMFFAR-WBVHZDCISA-N 1 2 318.392 2.562 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447819 429890133 /nfs/dbraw/zinc/89/01/33/429890133.db2.gz CYNYSBKDFMOSCJ-CVEARBPZSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447819 429890134 /nfs/dbraw/zinc/89/01/34/429890134.db2.gz CYNYSBKDFMOSCJ-CVEARBPZSA-N 1 2 320.820 2.768 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncccc3Cl)C2)nc1 ZINC000528507849 429894609 /nfs/dbraw/zinc/89/46/09/429894609.db2.gz QKFKTZYOPKYYRF-ZDUSSCGKSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncccc3Cl)C2)nc1 ZINC000528507849 429894611 /nfs/dbraw/zinc/89/46/11/429894611.db2.gz QKFKTZYOPKYYRF-ZDUSSCGKSA-N 1 2 314.776 2.655 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccccc2OC)CC1 ZINC000368796330 429895114 /nfs/dbraw/zinc/89/51/14/429895114.db2.gz XEJKTPKCWNIGNV-UHFFFAOYSA-N 1 2 322.836 2.525 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccccc2OC)CC1 ZINC000368796330 429895115 /nfs/dbraw/zinc/89/51/15/429895115.db2.gz XEJKTPKCWNIGNV-UHFFFAOYSA-N 1 2 322.836 2.525 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000528582115 429900733 /nfs/dbraw/zinc/90/07/33/429900733.db2.gz MILXKXPIZHTBOD-HNNXBMFYSA-N 1 2 314.433 2.617 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794189 429916882 /nfs/dbraw/zinc/91/68/82/429916882.db2.gz PZFNEYYWHAYZCA-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794189 429916884 /nfs/dbraw/zinc/91/68/84/429916884.db2.gz PZFNEYYWHAYZCA-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369202462 429919069 /nfs/dbraw/zinc/91/90/69/429919069.db2.gz IKZVIPFVTQRVSB-CQSZACIVSA-N 1 2 304.394 2.616 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369202462 429919071 /nfs/dbraw/zinc/91/90/71/429919071.db2.gz IKZVIPFVTQRVSB-CQSZACIVSA-N 1 2 304.394 2.616 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000369272850 429922044 /nfs/dbraw/zinc/92/20/44/429922044.db2.gz DCOLZJBYZLJMHK-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000369272850 429922045 /nfs/dbraw/zinc/92/20/45/429922045.db2.gz DCOLZJBYZLJMHK-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#C[C@@H]1[N@H+](CCCCCn2cccn2)CCC[C@]12CCCCO2 ZINC000369312567 429923455 /nfs/dbraw/zinc/92/34/55/429923455.db2.gz QIVOLELQBDWLBN-ZWKOTPCHSA-N 1 2 316.449 2.981 20 30 DFEDLO N#C[C@@H]1[N@@H+](CCCCCn2cccn2)CCC[C@]12CCCCO2 ZINC000369312567 429923456 /nfs/dbraw/zinc/92/34/56/429923456.db2.gz QIVOLELQBDWLBN-ZWKOTPCHSA-N 1 2 316.449 2.981 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000557498106 429942423 /nfs/dbraw/zinc/94/24/23/429942423.db2.gz UEGUCLYYFIDGGQ-CQSZACIVSA-N 1 2 314.776 2.826 20 30 DFEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000574410788 430040851 /nfs/dbraw/zinc/04/08/51/430040851.db2.gz VMHHLLTZEHIHPX-ZDUSSCGKSA-N 1 2 303.406 2.895 20 30 DFEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000574410788 430040855 /nfs/dbraw/zinc/04/08/55/430040855.db2.gz VMHHLLTZEHIHPX-ZDUSSCGKSA-N 1 2 303.406 2.895 20 30 DFEDLO Cc1cc(C[NH2+]Cc2n[nH]cc2Br)ccc1C#N ZINC000573906626 429993403 /nfs/dbraw/zinc/99/34/03/429993403.db2.gz GAIMYGSTKLMADY-UHFFFAOYSA-N 1 2 305.179 2.642 20 30 DFEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc(C#N)cc2)c1 ZINC000559237932 430000841 /nfs/dbraw/zinc/00/08/41/430000841.db2.gz YYJSRPJECRCCHX-UHFFFAOYSA-N 1 2 317.352 2.832 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ncc(C#N)cc2C)c1C ZINC000559326740 430004749 /nfs/dbraw/zinc/00/47/49/430004749.db2.gz BZXNJPQQTUSHRT-UHFFFAOYSA-N 1 2 324.384 2.554 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1=O ZINC000639909647 430019780 /nfs/dbraw/zinc/01/97/80/430019780.db2.gz KDFNAUIMXQDIBJ-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1=O ZINC000639909647 430019785 /nfs/dbraw/zinc/01/97/85/430019785.db2.gz KDFNAUIMXQDIBJ-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)c(F)c(Cl)c1 ZINC000576936080 430109014 /nfs/dbraw/zinc/10/90/14/430109014.db2.gz BMPBTJHCYMWBFA-JTQLQIEISA-N 1 2 320.195 2.751 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)c(F)c(Cl)c1 ZINC000576936080 430109016 /nfs/dbraw/zinc/10/90/16/430109016.db2.gz BMPBTJHCYMWBFA-JTQLQIEISA-N 1 2 320.195 2.751 20 30 DFEDLO C=CCCCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000575069346 430054789 /nfs/dbraw/zinc/05/47/89/430054789.db2.gz XLBBPOHHIJWMPW-UHFFFAOYSA-N 1 2 316.445 2.995 20 30 DFEDLO N#CCN1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000539816505 430179694 /nfs/dbraw/zinc/17/96/94/430179694.db2.gz UGUVXDBZDKXCNZ-UHFFFAOYSA-N 1 2 304.463 2.832 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000577805095 430116302 /nfs/dbraw/zinc/11/63/02/430116302.db2.gz BVSZDWCCMPEJTM-KRWDZBQOSA-N 1 2 315.348 2.659 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000580470058 430131509 /nfs/dbraw/zinc/13/15/09/430131509.db2.gz VZFYYEUBGACFPZ-CQSZACIVSA-N 1 2 314.389 2.628 20 30 DFEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(O)c1 ZINC000531140077 430133135 /nfs/dbraw/zinc/13/31/35/430133135.db2.gz IADFPEICMIAVHF-UHFFFAOYSA-N 1 2 323.396 2.771 20 30 DFEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(O)c1 ZINC000531140077 430133138 /nfs/dbraw/zinc/13/31/38/430133138.db2.gz IADFPEICMIAVHF-UHFFFAOYSA-N 1 2 323.396 2.771 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 ZINC000531559945 430146474 /nfs/dbraw/zinc/14/64/74/430146474.db2.gz IDZWDIQMPOEDLT-UHFFFAOYSA-N 1 2 311.429 2.579 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000563367414 430183634 /nfs/dbraw/zinc/18/36/34/430183634.db2.gz NSVFQDLKVYMGIK-GJZGRUSLSA-N 1 2 303.381 2.911 20 30 DFEDLO CCCCNc1cc(N2CCC(CCC#N)CC2)nc(N)[nH+]1 ZINC000564902727 430201502 /nfs/dbraw/zinc/20/15/02/430201502.db2.gz CBOYRTOWRHHTEK-UHFFFAOYSA-N 1 2 302.426 2.791 20 30 DFEDLO CCCCNc1cc(N2CCC(CCC#N)CC2)[nH+]c(N)n1 ZINC000564902727 430201507 /nfs/dbraw/zinc/20/15/07/430201507.db2.gz CBOYRTOWRHHTEK-UHFFFAOYSA-N 1 2 302.426 2.791 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000565598733 430221672 /nfs/dbraw/zinc/22/16/72/430221672.db2.gz YYQVTTIQKROUKM-JKSUJKDBSA-N 1 2 300.402 2.957 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000565598733 430221678 /nfs/dbraw/zinc/22/16/78/430221678.db2.gz YYQVTTIQKROUKM-JKSUJKDBSA-N 1 2 300.402 2.957 20 30 DFEDLO C=CCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C1CC1 ZINC000543563831 430253052 /nfs/dbraw/zinc/25/30/52/430253052.db2.gz PLQPOJZXQVXPMA-UHFFFAOYSA-N 1 2 322.412 3.188 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000566429606 430260128 /nfs/dbraw/zinc/26/01/28/430260128.db2.gz XJTWHDRBJLEYHQ-HZMBPMFUSA-N 1 2 309.772 2.866 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCSc2ccc(Cl)cc2)nn1 ZINC000640839495 430268738 /nfs/dbraw/zinc/26/87/38/430268738.db2.gz WDRMYZKSLOWVME-UHFFFAOYSA-N 1 2 320.849 2.837 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1COCC[N@H+]1CCCC ZINC000566910018 430274623 /nfs/dbraw/zinc/27/46/23/430274623.db2.gz WWCRFGKXULGCTE-MRXNPFEDSA-N 1 2 322.474 2.764 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1COCC[N@@H+]1CCCC ZINC000566910018 430274627 /nfs/dbraw/zinc/27/46/27/430274627.db2.gz WWCRFGKXULGCTE-MRXNPFEDSA-N 1 2 322.474 2.764 20 30 DFEDLO Cc1cc(N2CCC(C#N)(c3ccccn3)CC2)c(C#N)c[nH+]1 ZINC000567494902 430284409 /nfs/dbraw/zinc/28/44/09/430284409.db2.gz KAGDZBIKHNINAS-UHFFFAOYSA-N 1 2 303.369 2.718 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCSc2ccc(C)c(C)c2)nn1 ZINC000640951236 430289573 /nfs/dbraw/zinc/28/95/73/430289573.db2.gz DVZJXGYNXNEDFI-UHFFFAOYSA-N 1 2 314.458 2.800 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCCOc2cccc(Cl)c2)nn1 ZINC000640985687 430293776 /nfs/dbraw/zinc/29/37/76/430293776.db2.gz PPARKMZAVBHEAF-UHFFFAOYSA-N 1 2 318.808 2.514 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000568105106 430319272 /nfs/dbraw/zinc/31/92/72/430319272.db2.gz OPYUWPNUSWUDHB-GHMZBOCLSA-N 1 2 316.430 2.717 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCc2c(Cl)cccc2Cl)nn1 ZINC000641123968 430334528 /nfs/dbraw/zinc/33/45/28/430334528.db2.gz OOLJXUJKMYHSIQ-UHFFFAOYSA-N 1 2 323.227 2.941 20 30 DFEDLO C=CCC(C)(C)CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641510652 430413252 /nfs/dbraw/zinc/41/32/52/430413252.db2.gz IQEAQTLTKIUVNY-UHFFFAOYSA-N 1 2 322.474 2.555 20 30 DFEDLO C=CCC(C)(C)CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641510652 430413255 /nfs/dbraw/zinc/41/32/55/430413255.db2.gz IQEAQTLTKIUVNY-UHFFFAOYSA-N 1 2 322.474 2.555 20 30 DFEDLO N#Cc1cnccc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000547827993 430425958 /nfs/dbraw/zinc/42/59/58/430425958.db2.gz AVMCECPQTVHDTJ-UHFFFAOYSA-N 1 2 319.343 2.841 20 30 DFEDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000569888337 430495232 /nfs/dbraw/zinc/49/52/32/430495232.db2.gz HXMYNZLFCXYVDG-KRWDZBQOSA-N 1 2 320.400 2.667 20 30 DFEDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000569888337 430495235 /nfs/dbraw/zinc/49/52/35/430495235.db2.gz HXMYNZLFCXYVDG-KRWDZBQOSA-N 1 2 320.400 2.667 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000569985694 430503841 /nfs/dbraw/zinc/50/38/41/430503841.db2.gz IWKXUEQOINFNSR-FHLIZLRMSA-N 1 2 322.412 2.887 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000569985694 430503844 /nfs/dbraw/zinc/50/38/44/430503844.db2.gz IWKXUEQOINFNSR-FHLIZLRMSA-N 1 2 322.412 2.887 20 30 DFEDLO Cc1c(NCC(C)(C)CC#N)nc[nH+]c1NCC(C)(C)CC#N ZINC000596263102 430511879 /nfs/dbraw/zinc/51/18/79/430511879.db2.gz APQFLCLWFFPYET-UHFFFAOYSA-N 1 2 314.437 3.489 20 30 DFEDLO N#Cc1ccc2nc(NC[C@@H]3CCC[N@H+]3CC(F)F)ccc2c1 ZINC000599133855 430527054 /nfs/dbraw/zinc/52/70/54/430527054.db2.gz MGWFQGQACFTNDV-AWEZNQCLSA-N 1 2 316.355 3.248 20 30 DFEDLO N#Cc1ccc2nc(NC[C@@H]3CCC[N@@H+]3CC(F)F)ccc2c1 ZINC000599133855 430527058 /nfs/dbraw/zinc/52/70/58/430527058.db2.gz MGWFQGQACFTNDV-AWEZNQCLSA-N 1 2 316.355 3.248 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000599563470 430530829 /nfs/dbraw/zinc/53/08/29/430530829.db2.gz ZHIRNRRYJPRKPO-UHFFFAOYSA-N 1 2 310.401 3.093 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981406 430593641 /nfs/dbraw/zinc/59/36/41/430593641.db2.gz MDKAPXDQUSTAGE-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981406 430593643 /nfs/dbraw/zinc/59/36/43/430593643.db2.gz MDKAPXDQUSTAGE-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Cl)cc1CC#N ZINC000571417396 430628301 /nfs/dbraw/zinc/62/83/01/430628301.db2.gz PRZLLFNEIVUZCC-JTQLQIEISA-N 1 2 302.765 2.946 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Cl)cc1CC#N ZINC000571417396 430628304 /nfs/dbraw/zinc/62/83/04/430628304.db2.gz PRZLLFNEIVUZCC-JTQLQIEISA-N 1 2 302.765 2.946 20 30 DFEDLO N#C[C@]1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC12CCCC2 ZINC000571987005 430665044 /nfs/dbraw/zinc/66/50/44/430665044.db2.gz ICPBWPZSICCZGM-IBGZPJMESA-N 1 2 320.396 2.963 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc([C@H]2CCCOC2)o1 ZINC000644260777 430714483 /nfs/dbraw/zinc/71/44/83/430714483.db2.gz AKJMIEDPPPGYPH-AWEZNQCLSA-N 1 2 317.389 2.787 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc([C@H]2CCCOC2)o1 ZINC000644260777 430714485 /nfs/dbraw/zinc/71/44/85/430714485.db2.gz AKJMIEDPPPGYPH-AWEZNQCLSA-N 1 2 317.389 2.787 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1=O ZINC000661438035 430717083 /nfs/dbraw/zinc/71/70/83/430717083.db2.gz RRAYSMRYGJHXJB-ZBFHGGJFSA-N 1 2 300.402 2.984 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1=O ZINC000661438035 430717087 /nfs/dbraw/zinc/71/70/87/430717087.db2.gz RRAYSMRYGJHXJB-ZBFHGGJFSA-N 1 2 300.402 2.984 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000644282451 430718895 /nfs/dbraw/zinc/71/88/95/430718895.db2.gz LFKZBUPMIAQLBJ-KGLIPLIRSA-N 1 2 319.792 2.585 20 30 DFEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000661572200 430762856 /nfs/dbraw/zinc/76/28/56/430762856.db2.gz HXYBCGOVNHMOBA-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651328517 430766531 /nfs/dbraw/zinc/76/65/31/430766531.db2.gz ZVRXPTOODDWRAR-MRXNPFEDSA-N 1 2 312.417 2.921 20 30 DFEDLO COCC#CC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643188 430787897 /nfs/dbraw/zinc/78/78/97/430787897.db2.gz OFTANYYLUCAGSD-ZDUSSCGKSA-N 1 2 302.201 2.608 20 30 DFEDLO COCC#CC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643188 430787901 /nfs/dbraw/zinc/78/79/01/430787901.db2.gz OFTANYYLUCAGSD-ZDUSSCGKSA-N 1 2 302.201 2.608 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000654902448 430837861 /nfs/dbraw/zinc/83/78/61/430837861.db2.gz KCDWUAOSETVZDK-RDJZCZTQSA-N 1 2 313.401 2.630 20 30 DFEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000662165710 430986804 /nfs/dbraw/zinc/98/68/04/430986804.db2.gz NLOTZWDLBNXBOS-GXFFZTMASA-N 1 2 307.781 2.511 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1 ZINC000652064134 430951971 /nfs/dbraw/zinc/95/19/71/430951971.db2.gz FCBAECAXTOIKMV-IAGOWNOFSA-N 1 2 303.402 2.630 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1 ZINC000652064134 430951974 /nfs/dbraw/zinc/95/19/74/430951974.db2.gz FCBAECAXTOIKMV-IAGOWNOFSA-N 1 2 303.402 2.630 20 30 DFEDLO FC1(F)C[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN2C1 ZINC000645937022 431124105 /nfs/dbraw/zinc/12/41/05/431124105.db2.gz YMFSYIYJJHQHSR-HNNXBMFYSA-N 1 2 310.775 2.717 20 30 DFEDLO FC1(F)C[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN2C1 ZINC000645937022 431124109 /nfs/dbraw/zinc/12/41/09/431124109.db2.gz YMFSYIYJJHQHSR-HNNXBMFYSA-N 1 2 310.775 2.717 20 30 DFEDLO C=CCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000665946803 431072822 /nfs/dbraw/zinc/07/28/22/431072822.db2.gz XNYKDLVLHCCPHO-AWEZNQCLSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000665946803 431072828 /nfs/dbraw/zinc/07/28/28/431072828.db2.gz XNYKDLVLHCCPHO-AWEZNQCLSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000665945022 431072991 /nfs/dbraw/zinc/07/29/91/431072991.db2.gz ARILSWXLOQHPEA-OAHLLOKOSA-N 1 2 317.433 2.660 20 30 DFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccncc1C#N)CC2 ZINC000645840890 431088121 /nfs/dbraw/zinc/08/81/21/431088121.db2.gz OEEXONPOGBIUPY-UHFFFAOYSA-N 1 2 305.381 2.757 20 30 DFEDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccncc1C#N)CC2 ZINC000645840890 431088124 /nfs/dbraw/zinc/08/81/24/431088124.db2.gz OEEXONPOGBIUPY-UHFFFAOYSA-N 1 2 305.381 2.757 20 30 DFEDLO C=CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000666003941 431089945 /nfs/dbraw/zinc/08/99/45/431089945.db2.gz PFPDSWKUUFQLNV-AWEZNQCLSA-N 1 2 303.406 2.777 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404059 431091720 /nfs/dbraw/zinc/09/17/20/431091720.db2.gz BLZITPAEPYBQRN-GJZGRUSLSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404059 431091724 /nfs/dbraw/zinc/09/17/24/431091724.db2.gz BLZITPAEPYBQRN-GJZGRUSLSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404061 431092017 /nfs/dbraw/zinc/09/20/17/431092017.db2.gz BLZITPAEPYBQRN-LSDHHAIUSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404061 431092022 /nfs/dbraw/zinc/09/20/22/431092022.db2.gz BLZITPAEPYBQRN-LSDHHAIUSA-N 1 2 313.344 2.598 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676049 431229100 /nfs/dbraw/zinc/22/91/00/431229100.db2.gz RYRKSJXSFVJEEZ-AWEZNQCLSA-N 1 2 310.397 2.995 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676049 431229108 /nfs/dbraw/zinc/22/91/08/431229108.db2.gz RYRKSJXSFVJEEZ-AWEZNQCLSA-N 1 2 310.397 2.995 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000649857934 431332560 /nfs/dbraw/zinc/33/25/60/431332560.db2.gz UMAIIPAGBYGMFM-AWEZNQCLSA-N 1 2 322.836 2.960 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000649857934 431332568 /nfs/dbraw/zinc/33/25/68/431332568.db2.gz UMAIIPAGBYGMFM-AWEZNQCLSA-N 1 2 322.836 2.960 20 30 DFEDLO C=CCCC1(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000660324866 431379495 /nfs/dbraw/zinc/37/94/95/431379495.db2.gz OUFXMRSKWMADLF-MRXNPFEDSA-N 1 2 323.481 2.533 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nn1 ZINC000653483910 431398548 /nfs/dbraw/zinc/39/85/48/431398548.db2.gz GYXBYBVVQXUYEF-UHFFFAOYSA-N 1 2 310.401 2.849 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nn1 ZINC000653483910 431398556 /nfs/dbraw/zinc/39/85/56/431398556.db2.gz GYXBYBVVQXUYEF-UHFFFAOYSA-N 1 2 310.401 2.849 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)nn1 ZINC000653613024 431459604 /nfs/dbraw/zinc/45/96/04/431459604.db2.gz RRTPHVPGEOXYOY-KRWDZBQOSA-N 1 2 316.380 2.647 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)nn1 ZINC000653613024 431459609 /nfs/dbraw/zinc/45/96/09/431459609.db2.gz RRTPHVPGEOXYOY-KRWDZBQOSA-N 1 2 316.380 2.647 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](CCOC)c2ccc(C)o2)nn1 ZINC000653613835 431460051 /nfs/dbraw/zinc/46/00/51/431460051.db2.gz BWSSPHSVDKNZIC-OAHLLOKOSA-N 1 2 304.394 2.623 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000660550266 431486912 /nfs/dbraw/zinc/48/69/12/431486912.db2.gz DKWVWKARCGQKQH-GASCZTMLSA-N 1 2 300.406 2.612 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660704005 431557820 /nfs/dbraw/zinc/55/78/20/431557820.db2.gz QZMJTZQLYSQMTL-VQHPVUNQSA-N 1 2 323.481 2.530 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2O1 ZINC000368639687 288221883 /nfs/dbraw/zinc/22/18/83/288221883.db2.gz WVRLXPRSNWHPTD-CQSZACIVSA-N 1 2 318.380 2.989 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2O1 ZINC000368639687 288221886 /nfs/dbraw/zinc/22/18/86/288221886.db2.gz WVRLXPRSNWHPTD-CQSZACIVSA-N 1 2 318.380 2.989 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661149498 431752426 /nfs/dbraw/zinc/75/24/26/431752426.db2.gz CKWWKSACLKYFKU-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661149498 431752429 /nfs/dbraw/zinc/75/24/29/431752429.db2.gz CKWWKSACLKYFKU-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](C)COC ZINC000661244184 431791806 /nfs/dbraw/zinc/79/18/06/431791806.db2.gz RACYSEBKRWIJRF-ZDUSSCGKSA-N 1 2 320.824 2.944 20 30 DFEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](C)COC ZINC000661244184 431791811 /nfs/dbraw/zinc/79/18/11/431791811.db2.gz RACYSEBKRWIJRF-ZDUSSCGKSA-N 1 2 320.824 2.944 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)COC ZINC000661243699 431793360 /nfs/dbraw/zinc/79/33/60/431793360.db2.gz LXBGXAZVKHZIEH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)COC ZINC000661243699 431793363 /nfs/dbraw/zinc/79/33/63/431793363.db2.gz LXBGXAZVKHZIEH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@@H](C)COC ZINC000661246554 431794504 /nfs/dbraw/zinc/79/45/04/431794504.db2.gz IGWYSKBHVFEWJT-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@@H](C)COC ZINC000661246554 431794508 /nfs/dbraw/zinc/79/45/08/431794508.db2.gz IGWYSKBHVFEWJT-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CCCC(C)(C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664518496 431805199 /nfs/dbraw/zinc/80/51/99/431805199.db2.gz CHMBPSRCNIAXHY-AWEZNQCLSA-N 1 2 302.422 2.704 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205549 431776166 /nfs/dbraw/zinc/77/61/66/431776166.db2.gz KEBSWYGPZWEIRX-MGPQQGTHSA-N 1 2 302.422 2.701 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205549 431776169 /nfs/dbraw/zinc/77/61/69/431776169.db2.gz KEBSWYGPZWEIRX-MGPQQGTHSA-N 1 2 302.422 2.701 20 30 DFEDLO C=CCOCCNc1cc(N[C@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000664560179 431818790 /nfs/dbraw/zinc/81/87/90/431818790.db2.gz GFZHPJSKTKAGCU-YOEHRIQHSA-N 1 2 320.437 2.707 20 30 DFEDLO C=CCOCCNc1cc(N[C@H]2CCCO[C@H]2C(C)C)[nH+]cn1 ZINC000664560179 431818795 /nfs/dbraw/zinc/81/87/95/431818795.db2.gz GFZHPJSKTKAGCU-YOEHRIQHSA-N 1 2 320.437 2.707 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1c(C#N)cnc3ccc(C)cc31)CC2 ZINC000368205915 281545513 /nfs/dbraw/zinc/54/55/13/281545513.db2.gz YXNIQOWHEULVFS-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2cnc(C#N)cn2)CC1 ZINC000280341716 282077775 /nfs/dbraw/zinc/07/77/75/282077775.db2.gz VRDXRZSYPQMLMA-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)F ZINC000153640601 289053909 /nfs/dbraw/zinc/05/39/09/289053909.db2.gz LACPBLLVWARXQT-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)F ZINC000153640601 289053911 /nfs/dbraw/zinc/05/39/11/289053911.db2.gz LACPBLLVWARXQT-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2nc(Cl)c(C#N)s2)CC1(C)C ZINC000296355863 294424344 /nfs/dbraw/zinc/42/43/44/294424344.db2.gz RLXOPRUXBHIUBH-VIFPVBQESA-N 1 2 307.810 2.989 20 30 DFEDLO C#CCOCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000292577096 335091607 /nfs/dbraw/zinc/09/16/07/335091607.db2.gz DCULLMZRGSYAMZ-ZDUSSCGKSA-N 1 2 310.467 2.790 20 30 DFEDLO CCc1[nH+]c2cc(CNc3ccnc(C#N)n3)ccc2n1C1CC1 ZINC000519833827 300481765 /nfs/dbraw/zinc/48/17/65/300481765.db2.gz GXDORPJPEFHEOG-UHFFFAOYSA-N 1 2 318.384 2.629 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)cc2)c1C#N ZINC000535224711 301251357 /nfs/dbraw/zinc/25/13/57/301251357.db2.gz HOXJGQVQCSHGGQ-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)cc2)c1C#N ZINC000535224711 301251360 /nfs/dbraw/zinc/25/13/60/301251360.db2.gz HOXJGQVQCSHGGQ-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ncc(C)s2)c1C#N ZINC000541683720 301393312 /nfs/dbraw/zinc/39/33/12/301393312.db2.gz WNURSISEOUPDKQ-LLVKDONJSA-N 1 2 315.398 2.961 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1[C@H](C)C[C@H]1C ZINC000548754425 301612251 /nfs/dbraw/zinc/61/22/51/301612251.db2.gz IVRNZTPGEPMCML-MXWKQRLJSA-N 1 2 303.431 2.918 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C2CC2)cc1 ZINC000563203626 302048752 /nfs/dbraw/zinc/04/87/52/302048752.db2.gz GYQXZDOPSUBGHC-INIZCTEOSA-N 1 2 320.396 2.508 20 30 DFEDLO N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000564433790 302134354 /nfs/dbraw/zinc/13/43/54/302134354.db2.gz QIQXUHTWZNOCDY-GOSISDBHSA-N 1 2 320.396 2.889 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000565051842 302189812 /nfs/dbraw/zinc/18/98/12/302189812.db2.gz RITCLOLTJOFCGV-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000565051842 302189814 /nfs/dbraw/zinc/18/98/14/302189814.db2.gz RITCLOLTJOFCGV-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565341967 302219297 /nfs/dbraw/zinc/21/92/97/302219297.db2.gz CSVKMGUCOLVFRH-DMZKTXOQSA-N 1 2 313.426 2.884 20 30 DFEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565341967 302219299 /nfs/dbraw/zinc/21/92/99/302219299.db2.gz CSVKMGUCOLVFRH-DMZKTXOQSA-N 1 2 313.426 2.884 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567051589 302332128 /nfs/dbraw/zinc/33/21/28/302332128.db2.gz USFYMEXFJXRCNI-CZUORRHYSA-N 1 2 308.385 2.537 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567059049 302332624 /nfs/dbraw/zinc/33/26/24/302332624.db2.gz MDLDWNGQKMITOR-AWEZNQCLSA-N 1 2 310.401 2.899 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567059049 302332628 /nfs/dbraw/zinc/33/26/28/302332628.db2.gz MDLDWNGQKMITOR-AWEZNQCLSA-N 1 2 310.401 2.899 20 30 DFEDLO COc1cccc2c1CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000180782938 316041445 /nfs/dbraw/zinc/04/14/45/316041445.db2.gz RAZGZIYFMLAFDK-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO COc1cccc2c1CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000180782938 316041450 /nfs/dbraw/zinc/04/14/50/316041450.db2.gz RAZGZIYFMLAFDK-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4c3OCCO4)n2c1 ZINC000180888405 316045130 /nfs/dbraw/zinc/04/51/30/316045130.db2.gz QKEVIWVVHZHWCT-UHFFFAOYSA-N 1 2 306.325 2.589 20 30 DFEDLO COCCOc1ccc(C#N)cc1NCc1cccc2[nH+]ccn21 ZINC000184329219 316164262 /nfs/dbraw/zinc/16/42/62/316164262.db2.gz FIPVFTXGVUWBTL-UHFFFAOYSA-N 1 2 322.368 2.843 20 30 DFEDLO C[S@@](=O)Cc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000576008997 318098509 /nfs/dbraw/zinc/09/85/09/318098509.db2.gz NLRFVHUIBFOJMM-HSZRJFAPSA-N 1 2 324.409 2.697 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000576283297 318116259 /nfs/dbraw/zinc/11/62/59/318116259.db2.gz JMRSOBOMYGAVCM-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO CCOc1cc(C)ccc1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000576476932 318129516 /nfs/dbraw/zinc/12/95/16/318129516.db2.gz PGDKLJXOTXRSJC-ZDUSSCGKSA-N 1 2 311.389 2.616 20 30 DFEDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc(C#N)cs3)n2)c1 ZINC000578295672 318250290 /nfs/dbraw/zinc/25/02/90/318250290.db2.gz WIIOCVDCRWWIDG-LLVKDONJSA-N 1 2 324.413 2.959 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000578872991 318291773 /nfs/dbraw/zinc/29/17/73/318291773.db2.gz HNOQSKWWGRKOAQ-INIZCTEOSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000578872991 318291774 /nfs/dbraw/zinc/29/17/74/318291774.db2.gz HNOQSKWWGRKOAQ-INIZCTEOSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583299954 323829424 /nfs/dbraw/zinc/82/94/24/323829424.db2.gz AZOBEIJTXHBODO-UHFFFAOYSA-N 1 2 317.439 2.639 20 30 DFEDLO Cc1cc(C(N)=[NH+]OCCCOCC(F)(F)F)ccc1F ZINC000156953548 332804336 /nfs/dbraw/zinc/80/43/36/332804336.db2.gz DBXIXWOPEMFZAF-UHFFFAOYSA-N 1 2 308.275 2.740 20 30 DFEDLO C#CC[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000038624659 331561377 /nfs/dbraw/zinc/56/13/77/331561377.db2.gz CDGNWJXPLRJYBY-GOSISDBHSA-N 1 2 308.381 2.988 20 30 DFEDLO C=CCSCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299317706 331685594 /nfs/dbraw/zinc/68/55/94/331685594.db2.gz CYVDLCICKGKNJX-UHFFFAOYSA-N 1 2 301.415 2.580 20 30 DFEDLO CCC(C)(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000584175875 331854689 /nfs/dbraw/zinc/85/46/89/331854689.db2.gz ORMPLYNFAQVAJQ-GOSISDBHSA-N 1 2 301.434 2.948 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000408160639 331982403 /nfs/dbraw/zinc/98/24/03/331982403.db2.gz WOQHZEGCAHJNEV-UHFFFAOYSA-N 1 2 318.446 2.586 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233392 332019210 /nfs/dbraw/zinc/01/92/10/332019210.db2.gz XHCBWDNKJUBJDO-SUMWQHHRSA-N 1 2 303.406 2.859 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233392 332019211 /nfs/dbraw/zinc/01/92/11/332019211.db2.gz XHCBWDNKJUBJDO-SUMWQHHRSA-N 1 2 303.406 2.859 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000559334246 332028575 /nfs/dbraw/zinc/02/85/75/332028575.db2.gz KYNJBGXYQCWJRA-UHFFFAOYSA-N 1 2 307.191 2.777 20 30 DFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092034727 332118118 /nfs/dbraw/zinc/11/81/18/332118118.db2.gz PAJDPNJLYHNTJL-LLVKDONJSA-N 1 2 315.402 2.983 20 30 DFEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093773220 332142604 /nfs/dbraw/zinc/14/26/04/332142604.db2.gz QVUSQWHUUNNHSY-OAHLLOKOSA-N 1 2 317.433 2.808 20 30 DFEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093773220 332142606 /nfs/dbraw/zinc/14/26/06/332142606.db2.gz QVUSQWHUUNNHSY-OAHLLOKOSA-N 1 2 317.433 2.808 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000106875700 332261860 /nfs/dbraw/zinc/26/18/60/332261860.db2.gz KEGOLESWSBXHQK-BZNIZROVSA-N 1 2 320.462 2.561 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000106875700 332261861 /nfs/dbraw/zinc/26/18/61/332261861.db2.gz KEGOLESWSBXHQK-BZNIZROVSA-N 1 2 320.462 2.561 20 30 DFEDLO N#CCc1ccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000370833230 332264233 /nfs/dbraw/zinc/26/42/33/332264233.db2.gz LKQMTEFZUQMRGJ-CQSZACIVSA-N 1 2 309.373 2.648 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000559653462 332275487 /nfs/dbraw/zinc/27/54/87/332275487.db2.gz HCZIKBGQHVKUNN-YOEHRIQHSA-N 1 2 313.401 2.593 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000559915262 332292289 /nfs/dbraw/zinc/29/22/89/332292289.db2.gz KZFGEPOFNSAWFW-XYPHTWIQSA-N 1 2 316.380 2.604 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000559915262 332292291 /nfs/dbraw/zinc/29/22/91/332292291.db2.gz KZFGEPOFNSAWFW-XYPHTWIQSA-N 1 2 316.380 2.604 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000559915260 332292465 /nfs/dbraw/zinc/29/24/65/332292465.db2.gz KZFGEPOFNSAWFW-XKQJLSEDSA-N 1 2 316.380 2.604 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000559915260 332292466 /nfs/dbraw/zinc/29/24/66/332292466.db2.gz KZFGEPOFNSAWFW-XKQJLSEDSA-N 1 2 316.380 2.604 20 30 DFEDLO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000370945552 332313199 /nfs/dbraw/zinc/31/31/99/332313199.db2.gz XFEAXMRLFIEVII-CQSZACIVSA-N 1 2 306.431 2.777 20 30 DFEDLO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000370945552 332313200 /nfs/dbraw/zinc/31/32/00/332313200.db2.gz XFEAXMRLFIEVII-CQSZACIVSA-N 1 2 306.431 2.777 20 30 DFEDLO Cc1ccc(C(N)=[NH+]OCc2nc(CC(C)C)no2)cc1F ZINC000112968971 332318275 /nfs/dbraw/zinc/31/82/75/332318275.db2.gz CJDLPIRBRKROSM-UHFFFAOYSA-N 1 2 306.341 2.553 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152952275 332336981 /nfs/dbraw/zinc/33/69/81/332336981.db2.gz WJFMFPJECPRLJU-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152952275 332336984 /nfs/dbraw/zinc/33/69/84/332336984.db2.gz WJFMFPJECPRLJU-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1c[nH+]ccc1OC ZINC000293480094 335107210 /nfs/dbraw/zinc/10/72/10/335107210.db2.gz XFQGLMNKGJKTKE-KRWDZBQOSA-N 1 2 323.396 2.524 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000185036797 335108180 /nfs/dbraw/zinc/10/81/80/335108180.db2.gz RLBIMVNQTLARBV-WMZOPIPTSA-N 1 2 316.445 2.778 20 30 DFEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000121522821 332396769 /nfs/dbraw/zinc/39/67/69/332396769.db2.gz GPVSLDYIMOSLCN-QGZVFWFLSA-N 1 2 312.442 2.834 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293331749 335104356 /nfs/dbraw/zinc/10/43/56/335104356.db2.gz YBRHXBRPUKRBNK-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293331749 335104357 /nfs/dbraw/zinc/10/43/57/335104357.db2.gz YBRHXBRPUKRBNK-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[C@@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000293201128 335105077 /nfs/dbraw/zinc/10/50/77/335105077.db2.gz URCWIZDOQNSUCG-DLBZAZTESA-N 1 2 322.412 2.614 20 30 DFEDLO C#CC[C@@H](Nc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000293201128 335105078 /nfs/dbraw/zinc/10/50/78/335105078.db2.gz URCWIZDOQNSUCG-DLBZAZTESA-N 1 2 322.412 2.614 20 30 DFEDLO C=CCC1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000448919172 332437810 /nfs/dbraw/zinc/43/78/10/332437810.db2.gz YMQNEXSSAOAKIJ-HZPDHXFCSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC)CC2)CCCCC1 ZINC000448950511 332511734 /nfs/dbraw/zinc/51/17/34/332511734.db2.gz NQDUCAUZJGNMKE-UHFFFAOYSA-N 1 2 308.466 2.694 20 30 DFEDLO Cn1c(C[NH2+]C[C@H](C#N)CCC#N)nc2cc(Cl)ccc21 ZINC000562330002 332577683 /nfs/dbraw/zinc/57/76/83/332577683.db2.gz BSQUCJOLSKBTDC-NSHDSACASA-N 1 2 301.781 2.760 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)s1 ZINC000449899171 332660661 /nfs/dbraw/zinc/66/06/61/332660661.db2.gz AVTZJFKKVPOQEU-SUMWQHHRSA-N 1 2 317.458 2.504 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000293639502 335113587 /nfs/dbraw/zinc/11/35/87/335113587.db2.gz RQIXAGRBAKFIPV-NSHDSACASA-N 1 2 319.327 2.904 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000293639502 335113588 /nfs/dbraw/zinc/11/35/88/335113588.db2.gz RQIXAGRBAKFIPV-NSHDSACASA-N 1 2 319.327 2.904 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCCC(C)(C)C#N ZINC000174808266 333091083 /nfs/dbraw/zinc/09/10/83/333091083.db2.gz LMALPSFCNLRVGW-MRXNPFEDSA-N 1 2 300.402 2.916 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000174808266 333091084 /nfs/dbraw/zinc/09/10/84/333091084.db2.gz LMALPSFCNLRVGW-MRXNPFEDSA-N 1 2 300.402 2.916 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294264916 335120544 /nfs/dbraw/zinc/12/05/44/335120544.db2.gz SHCZZNPKUMLMNH-GOEBONIOSA-N 1 2 313.401 2.939 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000294260475 335121998 /nfs/dbraw/zinc/12/19/98/335121998.db2.gz AEKCUQJHRRICNE-CQSZACIVSA-N 1 2 323.396 2.863 20 30 DFEDLO Cc1ccc2[nH+]c(CN(CCC#N)Cc3ccccn3)cn2c1 ZINC000178387390 333137766 /nfs/dbraw/zinc/13/77/66/333137766.db2.gz QLXDCPOZIQQXCM-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc2[nH+]ccn21 ZINC000178943250 333144757 /nfs/dbraw/zinc/14/47/57/333144757.db2.gz WGXHKUTXZVHYRU-RAXLEYEMSA-N 1 2 312.398 2.837 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000294647229 335125132 /nfs/dbraw/zinc/12/51/32/335125132.db2.gz ZZLVCMCAWFXVMD-QGZVFWFLSA-N 1 2 316.445 2.697 20 30 DFEDLO CCOC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180986426 333166695 /nfs/dbraw/zinc/16/66/95/333166695.db2.gz JXNJAJXWQQOCBA-INIZCTEOSA-N 1 2 304.390 2.656 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)CC1 ZINC000367616440 333174808 /nfs/dbraw/zinc/17/48/08/333174808.db2.gz GTNPKCRIPVVEIO-UHFFFAOYSA-N 1 2 320.396 2.985 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)CC1 ZINC000367616440 333174809 /nfs/dbraw/zinc/17/48/09/333174809.db2.gz GTNPKCRIPVVEIO-UHFFFAOYSA-N 1 2 320.396 2.985 20 30 DFEDLO CSCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000183160955 333183395 /nfs/dbraw/zinc/18/33/95/333183395.db2.gz BQPDTRYXKLLYAK-UHFFFAOYSA-N 1 2 317.414 2.661 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294442137 335122871 /nfs/dbraw/zinc/12/28/71/335122871.db2.gz VGRORRKTGQWMJX-BMFZPTHFSA-N 1 2 316.380 2.604 20 30 DFEDLO CCc1nc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cs1 ZINC000184691418 333200600 /nfs/dbraw/zinc/20/06/00/333200600.db2.gz VBKPMYYIDBCZPB-LBPRGKRZSA-N 1 2 320.462 2.699 20 30 DFEDLO Cn1cc([C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccc(F)cc2)cn1 ZINC000185421295 333208569 /nfs/dbraw/zinc/20/85/69/333208569.db2.gz FWNVBWCMSBFELA-GUYCJALGSA-N 1 2 311.364 2.682 20 30 DFEDLO N#CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000190202754 333268475 /nfs/dbraw/zinc/26/84/75/333268475.db2.gz NOLSNSRWWOYTED-UHFFFAOYSA-N 1 2 302.328 2.886 20 30 DFEDLO C#CCCOc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000295300809 335133178 /nfs/dbraw/zinc/13/31/78/335133178.db2.gz QZFSQVLYWLNVSK-UHFFFAOYSA-N 1 2 323.396 2.716 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111376495 333329192 /nfs/dbraw/zinc/32/91/92/333329192.db2.gz SOFOGOISXIEKCM-QWHCGFSZSA-N 1 2 307.463 2.945 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000119113228 333342881 /nfs/dbraw/zinc/34/28/81/333342881.db2.gz GUDMSLPRGDBJEA-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000119113228 333342883 /nfs/dbraw/zinc/34/28/83/333342883.db2.gz GUDMSLPRGDBJEA-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)OCC ZINC000295791390 335137723 /nfs/dbraw/zinc/13/77/23/335137723.db2.gz FFHYDKQBRUAZNK-UKRRQHHQSA-N 1 2 305.422 2.701 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)OCC ZINC000295791388 335138112 /nfs/dbraw/zinc/13/81/12/335138112.db2.gz FFHYDKQBRUAZNK-HIFRSBDPSA-N 1 2 305.422 2.701 20 30 DFEDLO C#CCCOc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000296745733 335148163 /nfs/dbraw/zinc/14/81/63/335148163.db2.gz PGZFHFWNFDBLEC-INIZCTEOSA-N 1 2 311.385 2.939 20 30 DFEDLO C[N@@H+]1CCc2ncnc(N[C@H](CCC#N)c3ccccc3)c2C1 ZINC000269697383 334003413 /nfs/dbraw/zinc/00/34/13/334003413.db2.gz LJNMDQFZWPHSBT-MRXNPFEDSA-N 1 2 307.401 2.921 20 30 DFEDLO C[N@H+]1CCc2ncnc(N[C@H](CCC#N)c3ccccc3)c2C1 ZINC000269697383 334003414 /nfs/dbraw/zinc/00/34/14/334003414.db2.gz LJNMDQFZWPHSBT-MRXNPFEDSA-N 1 2 307.401 2.921 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000270362007 334012269 /nfs/dbraw/zinc/01/22/69/334012269.db2.gz KPTNJOJWNLPXJF-LJQANCHMSA-N 1 2 311.429 2.588 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000270362007 334012270 /nfs/dbraw/zinc/01/22/70/334012270.db2.gz KPTNJOJWNLPXJF-LJQANCHMSA-N 1 2 311.429 2.588 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000272499295 334035593 /nfs/dbraw/zinc/03/55/93/334035593.db2.gz DIOFLWBQWQXIEU-UHFFFAOYSA-N 1 2 310.401 2.559 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272522404 334036415 /nfs/dbraw/zinc/03/64/15/334036415.db2.gz HOCUMSCRXCOLSQ-LBPRGKRZSA-N 1 2 316.361 2.547 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272545032 334036948 /nfs/dbraw/zinc/03/69/48/334036948.db2.gz KAXIJJMGJXFTBS-CYBMUJFWSA-N 1 2 313.401 2.842 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000273813855 334051793 /nfs/dbraw/zinc/05/17/93/334051793.db2.gz BNAUBNCMUGGQSH-JTQLQIEISA-N 1 2 313.195 2.945 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000276364616 334076044 /nfs/dbraw/zinc/07/60/44/334076044.db2.gz ZPOPWDLMTHXYMP-LBPRGKRZSA-N 1 2 323.799 2.929 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C1=O ZINC000343601018 335176078 /nfs/dbraw/zinc/17/60/78/335176078.db2.gz JSVHXAADVWODHD-AWEZNQCLSA-N 1 2 305.447 2.629 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C1=O ZINC000343601018 335176079 /nfs/dbraw/zinc/17/60/79/335176079.db2.gz JSVHXAADVWODHD-AWEZNQCLSA-N 1 2 305.447 2.629 20 30 DFEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000278661118 334099424 /nfs/dbraw/zinc/09/94/24/334099424.db2.gz QLRIGZZBXAJWHF-XJKSGUPXSA-N 1 2 317.820 2.790 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000278720131 334100443 /nfs/dbraw/zinc/10/04/43/334100443.db2.gz HHQJCMXJRJWFHV-ZDUSSCGKSA-N 1 2 305.447 2.893 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000278720128 334100480 /nfs/dbraw/zinc/10/04/80/334100480.db2.gz HHQJCMXJRJWFHV-CYBMUJFWSA-N 1 2 305.447 2.893 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000279765914 334111586 /nfs/dbraw/zinc/11/15/86/334111586.db2.gz JRTMCDHVHQVQIN-INIZCTEOSA-N 1 2 320.343 2.677 20 30 DFEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)[C@H]3CCCO3)on2)cc1 ZINC000284080438 334142449 /nfs/dbraw/zinc/14/24/49/334142449.db2.gz KJZQIKLQYAKBRD-OAHLLOKOSA-N 1 2 301.346 2.618 20 30 DFEDLO CCCCCCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285993800 334150817 /nfs/dbraw/zinc/15/08/17/334150817.db2.gz QGWOJJNNAYTOSW-AWEZNQCLSA-N 1 2 306.410 2.623 20 30 DFEDLO CCCCCCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285993800 334150818 /nfs/dbraw/zinc/15/08/18/334150818.db2.gz QGWOJJNNAYTOSW-AWEZNQCLSA-N 1 2 306.410 2.623 20 30 DFEDLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[NH2+]CCC(C)(C)C#N ZINC000288757544 334161999 /nfs/dbraw/zinc/16/19/99/334161999.db2.gz RWJRBVGTSVDTES-INIZCTEOSA-N 1 2 315.417 2.956 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000289905992 334169331 /nfs/dbraw/zinc/16/93/31/334169331.db2.gz RGTWNADZXFMCPF-UHFFFAOYSA-N 1 2 309.373 2.732 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000291606882 334180268 /nfs/dbraw/zinc/18/02/68/334180268.db2.gz CLSDQWQMSQSXLF-GDBMZVCRSA-N 1 2 307.344 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000291606882 334180270 /nfs/dbraw/zinc/18/02/70/334180270.db2.gz CLSDQWQMSQSXLF-GDBMZVCRSA-N 1 2 307.344 2.520 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000292337029 334186918 /nfs/dbraw/zinc/18/69/18/334186918.db2.gz WSRJVGKJNJWTLR-SMDDNHRTSA-N 1 2 322.206 2.516 20 30 DFEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1cc(OCC)ccc1O ZINC000292356540 334187148 /nfs/dbraw/zinc/18/71/48/334187148.db2.gz QMKYLWJTHZRDCR-HTMJNSLASA-N 1 2 306.406 2.762 20 30 DFEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292453343 334188340 /nfs/dbraw/zinc/18/83/40/334188340.db2.gz PORGCEXKODHSKC-JQHSSLGASA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292453343 334188341 /nfs/dbraw/zinc/18/83/41/334188341.db2.gz PORGCEXKODHSKC-JQHSSLGASA-N 1 2 311.429 2.627 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000296258140 334230938 /nfs/dbraw/zinc/23/09/38/334230938.db2.gz HBJWKHSBJLQAKA-HOCLYGCPSA-N 1 2 323.400 2.754 20 30 DFEDLO CCOC1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000297479594 334241684 /nfs/dbraw/zinc/24/16/84/334241684.db2.gz SAGUZXPRQSIFOQ-UHFFFAOYSA-N 1 2 304.390 2.598 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000298705863 334250913 /nfs/dbraw/zinc/25/09/13/334250913.db2.gz GLEOKYBMXLDMGQ-CHWSQXEVSA-N 1 2 305.447 2.675 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000298705863 334250914 /nfs/dbraw/zinc/25/09/14/334250914.db2.gz GLEOKYBMXLDMGQ-CHWSQXEVSA-N 1 2 305.447 2.675 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000299171536 334253650 /nfs/dbraw/zinc/25/36/50/334253650.db2.gz SFHHMEXDRDEKMP-ZYHUDNBSSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000299171536 334253651 /nfs/dbraw/zinc/25/36/51/334253651.db2.gz SFHHMEXDRDEKMP-ZYHUDNBSSA-N 1 2 317.216 2.825 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000341982473 334496688 /nfs/dbraw/zinc/49/66/88/334496688.db2.gz RXICKEXYQJVREP-UHFFFAOYSA-N 1 2 302.422 2.750 20 30 DFEDLO C=CCN(Cc1[nH+]cc(C)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342799082 334572677 /nfs/dbraw/zinc/57/26/77/334572677.db2.gz NACHXKGITDMCRO-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328779250 334756433 /nfs/dbraw/zinc/75/64/33/334756433.db2.gz DVUWTCUNAXHICL-RBSFLKMASA-N 1 2 304.438 2.950 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC(F)(F)F)CCC2 ZINC000330412715 334779727 /nfs/dbraw/zinc/77/97/27/334779727.db2.gz VJCYVICQKUJTIL-SNVBAGLBSA-N 1 2 304.316 2.525 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000330819682 334813739 /nfs/dbraw/zinc/81/37/39/334813739.db2.gz GYKGYAQGKUCHNW-MFKMUULPSA-N 1 2 322.206 2.669 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](CO)CC(C)(C)C)cc2n1C ZINC000331043271 334831345 /nfs/dbraw/zinc/83/13/45/334831345.db2.gz DKOTXFYWMGJOEH-CYBMUJFWSA-N 1 2 303.406 2.983 20 30 DFEDLO N#CCCCn1cc(C(=O)Nc2cc[nH+]cc2O)c2ccccc21 ZINC000444321883 338471332 /nfs/dbraw/zinc/47/13/32/338471332.db2.gz HSSUNGXUAAMFNP-UHFFFAOYSA-N 1 2 320.352 2.720 20 30 DFEDLO C=CCC(CC=C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000343912171 335201589 /nfs/dbraw/zinc/20/15/89/335201589.db2.gz HHEMXMLPPSWBHC-UHFFFAOYSA-N 1 2 301.312 2.830 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000344241424 335231595 /nfs/dbraw/zinc/23/15/95/335231595.db2.gz OAEQYBVZMJCVSV-GFCCVEGCSA-N 1 2 321.371 2.646 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000344241424 335231596 /nfs/dbraw/zinc/23/15/96/335231596.db2.gz OAEQYBVZMJCVSV-GFCCVEGCSA-N 1 2 321.371 2.646 20 30 DFEDLO N#CCCCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344253489 335232827 /nfs/dbraw/zinc/23/28/27/335232827.db2.gz MSCTZEZWVJRCBP-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO N#CCCCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344253489 335232829 /nfs/dbraw/zinc/23/28/29/335232829.db2.gz MSCTZEZWVJRCBP-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C2 ZINC000366886976 335295850 /nfs/dbraw/zinc/29/58/50/335295850.db2.gz PSGYXAMHEZRJLM-IAGOWNOFSA-N 1 2 322.412 2.710 20 30 DFEDLO C=CCSCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000345169199 335308789 /nfs/dbraw/zinc/30/87/89/335308789.db2.gz RCMSPMXSEAPKEC-UHFFFAOYSA-N 1 2 300.431 2.854 20 30 DFEDLO CN(C)c1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c[nH+]1 ZINC000347114190 335466898 /nfs/dbraw/zinc/46/68/98/335466898.db2.gz SQYGYMFVFUGCSX-KRWDZBQOSA-N 1 2 322.412 2.851 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000347687586 335516185 /nfs/dbraw/zinc/51/61/85/335516185.db2.gz JAEATUKIKYANMA-ZYHUDNBSSA-N 1 2 311.307 2.926 20 30 DFEDLO CC#CCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000348997024 335627506 /nfs/dbraw/zinc/62/75/06/335627506.db2.gz AQEBYHAATKWZBI-UHFFFAOYSA-N 1 2 306.435 2.664 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000349232324 335655238 /nfs/dbraw/zinc/65/52/38/335655238.db2.gz BMQXLHHIDPCARG-YRTQGLMCSA-N 1 2 318.421 2.645 20 30 DFEDLO CC1(C)C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C(C)(C)O1 ZINC000329263088 335957388 /nfs/dbraw/zinc/95/73/88/335957388.db2.gz ZQRNEOFKCRVVFW-OLZOCXBDSA-N 1 2 320.437 2.610 20 30 DFEDLO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1 ZINC000329595659 335999390 /nfs/dbraw/zinc/99/93/90/335999390.db2.gz OYKWJTRKSLQEEG-BFHYXJOUSA-N 1 2 316.405 2.762 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1CCC1 ZINC000329665682 336034030 /nfs/dbraw/zinc/03/40/30/336034030.db2.gz PZJIXRNUBXQOAD-GFCCVEGCSA-N 1 2 304.438 2.894 20 30 DFEDLO C=CCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351527801 336040427 /nfs/dbraw/zinc/04/04/27/336040427.db2.gz BOQUUGHQFBWFET-CABCVRRESA-N 1 2 323.412 2.676 20 30 DFEDLO C=CCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351527801 336040429 /nfs/dbraw/zinc/04/04/29/336040429.db2.gz BOQUUGHQFBWFET-CABCVRRESA-N 1 2 323.412 2.676 20 30 DFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329697503 336052856 /nfs/dbraw/zinc/05/28/56/336052856.db2.gz YKIPMEHPVPLPSW-HYVNUMGLSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329697503 336052857 /nfs/dbraw/zinc/05/28/57/336052857.db2.gz YKIPMEHPVPLPSW-HYVNUMGLSA-N 1 2 324.465 2.792 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000351772912 336068325 /nfs/dbraw/zinc/06/83/25/336068325.db2.gz AOXVSSHHSKFVNA-SJKOYZFVSA-N 1 2 302.422 2.551 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)NCC(C)(C)CCC#N)cn2c1 ZINC000351793592 336069363 /nfs/dbraw/zinc/06/93/63/336069363.db2.gz ODWUCBMVNSNLGE-UHFFFAOYSA-N 1 2 313.405 2.772 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCC=C(F)C1)C2 ZINC000329729463 336071305 /nfs/dbraw/zinc/07/13/05/336071305.db2.gz HOXCKKRIGZMWPX-ZDUSSCGKSA-N 1 2 320.412 2.969 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329732449 336075171 /nfs/dbraw/zinc/07/51/71/336075171.db2.gz QDVIKRYJJREDAE-HNNXBMFYSA-N 1 2 310.401 2.548 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000329732449 336075172 /nfs/dbraw/zinc/07/51/72/336075172.db2.gz QDVIKRYJJREDAE-HNNXBMFYSA-N 1 2 310.401 2.548 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCc2ccccc21 ZINC000329751970 336078208 /nfs/dbraw/zinc/07/82/08/336078208.db2.gz VZJSVIRUKNZQPW-DYVFJYSZSA-N 1 2 310.401 2.800 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCc2ccccc21 ZINC000329751970 336078210 /nfs/dbraw/zinc/07/82/10/336078210.db2.gz VZJSVIRUKNZQPW-DYVFJYSZSA-N 1 2 310.401 2.800 20 30 DFEDLO O=C(NC[C@H]1CCCCS1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329760002 336078692 /nfs/dbraw/zinc/07/86/92/336078692.db2.gz PPFZZINLHSVUFH-CYBMUJFWSA-N 1 2 308.451 2.789 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NC[C@H]3CCCS3)[nH+]c2c1 ZINC000329769894 336079681 /nfs/dbraw/zinc/07/96/81/336079681.db2.gz IGACDKGDEKMJTQ-CYBMUJFWSA-N 1 2 304.419 2.542 20 30 DFEDLO O=C(C[C@@H]1CCOC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000329772893 336080266 /nfs/dbraw/zinc/08/02/66/336080266.db2.gz HTKBKODQOBEEIC-HNNXBMFYSA-N 1 2 303.406 2.955 20 30 DFEDLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000329776040 336080529 /nfs/dbraw/zinc/08/05/29/336080529.db2.gz NQENVNMXOATYSQ-OIISXLGYSA-N 1 2 318.417 2.582 20 30 DFEDLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000329776040 336080530 /nfs/dbraw/zinc/08/05/30/336080530.db2.gz NQENVNMXOATYSQ-OIISXLGYSA-N 1 2 318.417 2.582 20 30 DFEDLO O=C(N[C@H]1CCCOc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329842242 336088388 /nfs/dbraw/zinc/08/83/88/336088388.db2.gz NSNSJSKTJXKLDX-AWEZNQCLSA-N 1 2 312.373 2.527 20 30 DFEDLO O=C(N[C@@H]1CCSc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329845810 336088882 /nfs/dbraw/zinc/08/88/82/336088882.db2.gz ORUNSIUKBIROED-CYBMUJFWSA-N 1 2 314.414 2.850 20 30 DFEDLO O=C(NC[C@H]1CCCc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329851415 336089378 /nfs/dbraw/zinc/08/93/78/336089378.db2.gz QTEYULBYBRBECW-OAHLLOKOSA-N 1 2 310.401 2.733 20 30 DFEDLO CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329853065 336089478 /nfs/dbraw/zinc/08/94/78/336089478.db2.gz VEPBBIFEFATSAS-GUYCJALGSA-N 1 2 316.405 2.981 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329871208 336091054 /nfs/dbraw/zinc/09/10/54/336091054.db2.gz AOGBNNZXAFALRS-RIEGTJTDSA-N 1 2 320.437 2.513 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329871208 336091055 /nfs/dbraw/zinc/09/10/55/336091055.db2.gz AOGBNNZXAFALRS-RIEGTJTDSA-N 1 2 320.437 2.513 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C(F)F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329919047 336095256 /nfs/dbraw/zinc/09/52/56/336095256.db2.gz DBIWSVQGSADXTO-VXGBXAGGSA-N 1 2 312.364 2.725 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC2(C(F)F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329919047 336095258 /nfs/dbraw/zinc/09/52/58/336095258.db2.gz DBIWSVQGSADXTO-VXGBXAGGSA-N 1 2 312.364 2.725 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329926388 336096096 /nfs/dbraw/zinc/09/60/96/336096096.db2.gz WEONUBURWGZCSJ-XUWVNRHRSA-N 1 2 320.437 2.638 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)[NH+]=C([O-])N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329926388 336096098 /nfs/dbraw/zinc/09/60/98/336096098.db2.gz WEONUBURWGZCSJ-XUWVNRHRSA-N 1 2 320.437 2.638 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000329958598 336099851 /nfs/dbraw/zinc/09/98/51/336099851.db2.gz QCPGLDZNQHOVRL-KBPBESRZSA-N 1 2 304.438 2.728 20 30 DFEDLO CC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCOCC1 ZINC000329970082 336101208 /nfs/dbraw/zinc/10/12/08/336101208.db2.gz WXOPLHUZRBWPHU-HNNXBMFYSA-N 1 2 320.437 2.708 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCc2c(O)cccc21 ZINC000330019586 336106312 /nfs/dbraw/zinc/10/63/12/336106312.db2.gz VIGDDWSKBKNSOC-IUODEOHRSA-N 1 2 311.385 2.980 20 30 DFEDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1nc(C(C)(C)C)no1 ZINC000330084874 336112361 /nfs/dbraw/zinc/11/23/61/336112361.db2.gz LHHBGRNLRWBZNP-JTQLQIEISA-N 1 2 305.382 2.751 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCOC(C)(C)[C@H]3C)ccc2[nH+]1 ZINC000330131084 336116439 /nfs/dbraw/zinc/11/64/39/336116439.db2.gz PMQFDHORIKCGGR-GFCCVEGCSA-N 1 2 302.378 2.688 20 30 DFEDLO COCC1=CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000330168246 336120371 /nfs/dbraw/zinc/12/03/71/336120371.db2.gz WFXBKAONPFAUOV-UHFFFAOYSA-N 1 2 321.446 2.888 20 30 DFEDLO COCC1=CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000330168246 336120372 /nfs/dbraw/zinc/12/03/72/336120372.db2.gz WFXBKAONPFAUOV-UHFFFAOYSA-N 1 2 321.446 2.888 20 30 DFEDLO CCS[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330185636 336121849 /nfs/dbraw/zinc/12/18/49/336121849.db2.gz JFPYOCOALSHPHY-MELADBBJSA-N 1 2 322.478 2.766 20 30 DFEDLO CCS[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330185636 336121850 /nfs/dbraw/zinc/12/18/50/336121850.db2.gz JFPYOCOALSHPHY-MELADBBJSA-N 1 2 322.478 2.766 20 30 DFEDLO CCOC1(C)CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000330220320 336126102 /nfs/dbraw/zinc/12/61/02/336126102.db2.gz QDCWYRKKJHPWGV-CQSZACIVSA-N 1 2 320.437 2.566 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1nc2ccccc2s1 ZINC000331504867 336138322 /nfs/dbraw/zinc/13/83/22/336138322.db2.gz QJODRSLTVKJGDE-QJPTWQEYSA-N 1 2 314.414 2.905 20 30 DFEDLO C=CC(C)(C)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000331573160 336140686 /nfs/dbraw/zinc/14/06/86/336140686.db2.gz OFGLWQWNHHXBIS-UHFFFAOYSA-N 1 2 314.389 2.550 20 30 DFEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330307034 336146129 /nfs/dbraw/zinc/14/61/29/336146129.db2.gz LRHCKNZQUOVUEI-ZDUSSCGKSA-N 1 2 305.426 2.507 20 30 DFEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330307034 336146130 /nfs/dbraw/zinc/14/61/30/336146130.db2.gz LRHCKNZQUOVUEI-ZDUSSCGKSA-N 1 2 305.426 2.507 20 30 DFEDLO C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000331756243 336147367 /nfs/dbraw/zinc/14/73/67/336147367.db2.gz MDAQBDAHDNTRPG-VGWMRTNUSA-N 1 2 315.421 2.558 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000331756242 336147511 /nfs/dbraw/zinc/14/75/11/336147511.db2.gz MDAQBDAHDNTRPG-UGUYLWEFSA-N 1 2 315.421 2.558 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330321722 336158105 /nfs/dbraw/zinc/15/81/05/336158105.db2.gz GFFHXCLKWLEQHP-NYTXWWLZSA-N 1 2 320.437 2.723 20 30 DFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CCC(=O)CC1 ZINC000330325761 336158341 /nfs/dbraw/zinc/15/83/41/336158341.db2.gz JNAOACQNRADNNK-UHFFFAOYSA-N 1 2 317.389 2.574 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000332130108 336159642 /nfs/dbraw/zinc/15/96/42/336159642.db2.gz ODGXIMXDKVFAFT-VQIMIIECSA-N 1 2 321.428 2.729 20 30 DFEDLO Cc1sc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C#N)nc(=O)c2c1C ZINC000332288290 336166564 /nfs/dbraw/zinc/16/65/64/336166564.db2.gz ZERZLLPJXWNOEG-MNOVXSKESA-N 1 2 302.403 2.796 20 30 DFEDLO C[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296114 336166966 /nfs/dbraw/zinc/16/69/66/336166966.db2.gz IDDWFCOKOUUDRH-GJZGRUSLSA-N 1 2 306.454 2.585 20 30 DFEDLO C[C@@H]1CN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000332392048 336170964 /nfs/dbraw/zinc/17/09/64/336170964.db2.gz MIROABVXIBZBIL-APIJFGDWSA-N 1 2 300.406 2.799 20 30 DFEDLO CC[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)C[C@]2(CCOC2)O1 ZINC000330361945 336180959 /nfs/dbraw/zinc/18/09/59/336180959.db2.gz YYIZBDOAUDOHEQ-PBHICJAKSA-N 1 2 319.405 2.514 20 30 DFEDLO COCc1n[nH]c([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000351968197 336183987 /nfs/dbraw/zinc/18/39/87/336183987.db2.gz PGUGYGDMKLTFGM-ZDUSSCGKSA-N 1 2 305.426 2.808 20 30 DFEDLO COCc1n[nH]c([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000351968197 336183988 /nfs/dbraw/zinc/18/39/88/336183988.db2.gz PGUGYGDMKLTFGM-ZDUSSCGKSA-N 1 2 305.426 2.808 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000351990213 336186429 /nfs/dbraw/zinc/18/64/29/336186429.db2.gz ZEHVFBGPZUYQPQ-HUUCEWRRSA-N 1 2 323.412 2.710 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000351990213 336186430 /nfs/dbraw/zinc/18/64/30/336186430.db2.gz ZEHVFBGPZUYQPQ-HUUCEWRRSA-N 1 2 323.412 2.710 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC(F)(F)F)CCC2 ZINC000330412714 336194145 /nfs/dbraw/zinc/19/41/45/336194145.db2.gz VJCYVICQKUJTIL-JTQLQIEISA-N 1 2 304.316 2.525 20 30 DFEDLO Cc1nc(COc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2)no1 ZINC000352087447 336194186 /nfs/dbraw/zinc/19/41/86/336194186.db2.gz NCDZORFSMMSMEV-GFCCVEGCSA-N 1 2 300.362 2.549 20 30 DFEDLO Cc1nc(COc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2)no1 ZINC000352087447 336194188 /nfs/dbraw/zinc/19/41/88/336194188.db2.gz NCDZORFSMMSMEV-GFCCVEGCSA-N 1 2 300.362 2.549 20 30 DFEDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448232 336219731 /nfs/dbraw/zinc/21/97/31/336219731.db2.gz FWBXBDGZNIQETL-KBPBESRZSA-N 1 2 315.392 2.680 20 30 DFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352456740 336220236 /nfs/dbraw/zinc/22/02/36/336220236.db2.gz AKTMHADNELPHKK-KRWDZBQOSA-N 1 2 317.408 2.828 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000352467431 336220741 /nfs/dbraw/zinc/22/07/41/336220741.db2.gz KJKXEDMRPQYSMF-UHFFFAOYSA-N 1 2 310.756 2.939 20 30 DFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352466764 336220767 /nfs/dbraw/zinc/22/07/67/336220767.db2.gz FNCDKXQSERTXQO-CQSZACIVSA-N 1 2 303.381 2.756 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000352539854 336223384 /nfs/dbraw/zinc/22/33/84/336223384.db2.gz DITCHNWDMDVXCJ-HUUCEWRRSA-N 1 2 301.434 2.872 20 30 DFEDLO C=CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000352550737 336224118 /nfs/dbraw/zinc/22/41/18/336224118.db2.gz QCMATMDKFRJQSY-QGZUEGPWSA-N 1 2 309.406 2.514 20 30 DFEDLO C=CC[N@H+](C/C=C\c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000352550737 336224119 /nfs/dbraw/zinc/22/41/19/336224119.db2.gz QCMATMDKFRJQSY-QGZUEGPWSA-N 1 2 309.406 2.514 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000352794397 336237177 /nfs/dbraw/zinc/23/71/77/336237177.db2.gz ATNSEDGFVIJYAQ-GJZGRUSLSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000352794397 336237178 /nfs/dbraw/zinc/23/71/78/336237178.db2.gz ATNSEDGFVIJYAQ-GJZGRUSLSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000352801649 336239386 /nfs/dbraw/zinc/23/93/86/336239386.db2.gz SYKLTGPYJBLUKV-AWEZNQCLSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000352801649 336239387 /nfs/dbraw/zinc/23/93/87/336239387.db2.gz SYKLTGPYJBLUKV-AWEZNQCLSA-N 1 2 322.449 2.843 20 30 DFEDLO C=CCO[C@@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000302201082 336353692 /nfs/dbraw/zinc/35/36/92/336353692.db2.gz ZFASAQWDMYEABD-MRXNPFEDSA-N 1 2 310.401 2.882 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000353042542 336389159 /nfs/dbraw/zinc/38/91/59/336389159.db2.gz HZGVPHMXQOXOJU-CQSZACIVSA-N 1 2 315.392 2.725 20 30 DFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000360136182 336702532 /nfs/dbraw/zinc/70/25/32/336702532.db2.gz NCLSFXZGDXIJRA-AWEZNQCLSA-N 1 2 303.381 2.725 20 30 DFEDLO C#CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000361779018 336772656 /nfs/dbraw/zinc/77/26/56/336772656.db2.gz FHZMYBHQCJEERT-SJORKVTESA-N 1 2 322.412 2.684 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000361938117 336779088 /nfs/dbraw/zinc/77/90/88/336779088.db2.gz JMCVFBFPWBEGJU-GOSISDBHSA-N 1 2 307.353 2.728 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCC2(CC#N)CC2)c1 ZINC000373781787 336972553 /nfs/dbraw/zinc/97/25/53/336972553.db2.gz JBWASKNOLYOBLM-UHFFFAOYSA-N 1 2 323.400 2.580 20 30 DFEDLO C=CC[N@@H+](Cc1ccnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000122439506 337008443 /nfs/dbraw/zinc/00/84/43/337008443.db2.gz QKTMCKUIYKEANG-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO C=CC[N@H+](Cc1ccnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000122439506 337008444 /nfs/dbraw/zinc/00/84/44/337008444.db2.gz QKTMCKUIYKEANG-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000305089385 337013090 /nfs/dbraw/zinc/01/30/90/337013090.db2.gz ZUNVEFUTWRFZMU-MNOVXSKESA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000305089385 337013089 /nfs/dbraw/zinc/01/30/89/337013089.db2.gz ZUNVEFUTWRFZMU-MNOVXSKESA-N 1 2 317.216 2.967 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000375609221 337014404 /nfs/dbraw/zinc/01/44/04/337014404.db2.gz XQVBFEKCXKUNBN-LMSBXDPUSA-N 1 2 314.429 2.624 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000375609221 337014405 /nfs/dbraw/zinc/01/44/05/337014405.db2.gz XQVBFEKCXKUNBN-LMSBXDPUSA-N 1 2 314.429 2.624 20 30 DFEDLO C=C(CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1 ZINC000376366587 337032056 /nfs/dbraw/zinc/03/20/56/337032056.db2.gz ISGSVVSLYIQOLX-SJLPKXTDSA-N 1 2 321.424 2.984 20 30 DFEDLO CC(C)n1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596790 337037559 /nfs/dbraw/zinc/03/75/59/337037559.db2.gz WYXJLZMSSHICLY-UHFFFAOYSA-N 1 2 309.417 2.916 20 30 DFEDLO CC(C)n1ccnc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376740202 337040232 /nfs/dbraw/zinc/04/02/32/337040232.db2.gz RGAQTBSJDIYEBY-UHFFFAOYSA-N 1 2 309.417 2.916 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376740202 337040233 /nfs/dbraw/zinc/04/02/33/337040233.db2.gz RGAQTBSJDIYEBY-UHFFFAOYSA-N 1 2 309.417 2.916 20 30 DFEDLO C=C(CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000377034393 337045808 /nfs/dbraw/zinc/04/58/08/337045808.db2.gz WOCWSGXVWIAHRV-INIZCTEOSA-N 1 2 310.401 2.632 20 30 DFEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1c1ccccc1Cl ZINC000377132927 337047343 /nfs/dbraw/zinc/04/73/43/337047343.db2.gz WHLISFQAKYBKLV-OAHLLOKOSA-N 1 2 317.820 2.849 20 30 DFEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1c1ccccc1Cl ZINC000377132927 337047344 /nfs/dbraw/zinc/04/73/44/337047344.db2.gz WHLISFQAKYBKLV-OAHLLOKOSA-N 1 2 317.820 2.849 20 30 DFEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000378628942 337077062 /nfs/dbraw/zinc/07/70/62/337077062.db2.gz CRBVDYQJIHIUBM-UHFFFAOYSA-N 1 2 309.417 2.557 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000582788652 337166262 /nfs/dbraw/zinc/16/62/62/337166262.db2.gz KHJSJBTUHIFCMB-SJLPKXTDSA-N 1 2 322.412 2.997 20 30 DFEDLO CC[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000179245278 337168513 /nfs/dbraw/zinc/16/85/13/337168513.db2.gz IKMRGLQMBFIROY-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000179245278 337168514 /nfs/dbraw/zinc/16/85/14/337168514.db2.gz IKMRGLQMBFIROY-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000179903380 337172448 /nfs/dbraw/zinc/17/24/48/337172448.db2.gz ZWASHADXUNHFTG-UHFFFAOYSA-N 1 2 314.429 2.533 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000180987375 337179120 /nfs/dbraw/zinc/17/91/20/337179120.db2.gz AAFAGPVJKRQREB-LSDHHAIUSA-N 1 2 302.422 2.704 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000191102260 337293996 /nfs/dbraw/zinc/29/39/96/337293996.db2.gz WOMFLYOPORRAFU-UHFFFAOYSA-N 1 2 323.393 2.508 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000191102260 337293997 /nfs/dbraw/zinc/29/39/97/337293997.db2.gz WOMFLYOPORRAFU-UHFFFAOYSA-N 1 2 323.393 2.508 20 30 DFEDLO C=CCN(CCOC)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000192206949 337305145 /nfs/dbraw/zinc/30/51/45/337305145.db2.gz WFKLFCADWWVZQA-UHFFFAOYSA-N 1 2 314.389 2.753 20 30 DFEDLO C=CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000042925654 337409073 /nfs/dbraw/zinc/40/90/73/337409073.db2.gz RCONWTLZLHGGTC-KBPBESRZSA-N 1 2 303.406 2.603 20 30 DFEDLO C#CCn1ccc(CN(CC)c2nc(C)[nH+]c3c2CCCC3)n1 ZINC000278862562 337668039 /nfs/dbraw/zinc/66/80/39/337668039.db2.gz MVMJUAJOTLOFLX-UHFFFAOYSA-N 1 2 309.417 2.520 20 30 DFEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000527455398 337742577 /nfs/dbraw/zinc/74/25/77/337742577.db2.gz ZZZSNTIUOYKPNE-QGZVFWFLSA-N 1 2 324.428 2.986 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000527690985 337760062 /nfs/dbraw/zinc/76/00/62/337760062.db2.gz JUXLLHAKCDUKFZ-UHFFFAOYSA-N 1 2 313.445 2.969 20 30 DFEDLO CCC(C#N)(CC)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000528077666 337785057 /nfs/dbraw/zinc/78/50/57/337785057.db2.gz AJSAYSIKEXPMLJ-UHFFFAOYSA-N 1 2 308.345 2.899 20 30 DFEDLO N#CCCCOc1cccc(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000092586549 337906626 /nfs/dbraw/zinc/90/66/26/337906626.db2.gz MFHZGNORPNKGRQ-UHFFFAOYSA-N 1 2 323.387 2.752 20 30 DFEDLO COc1ccc(OC(F)F)c(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000515264770 337984055 /nfs/dbraw/zinc/98/40/55/337984055.db2.gz QQLXRHUHCINOLF-NSHDSACASA-N 1 2 309.316 2.830 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000432562031 338159028 /nfs/dbraw/zinc/15/90/28/338159028.db2.gz HHQRKHGFYSUHFZ-HNNXBMFYSA-N 1 2 303.406 2.847 20 30 DFEDLO C=CC[N@@H+](Cc1nnnn1C1CCOCC1)CC1CCCCC1 ZINC000432947157 338174741 /nfs/dbraw/zinc/17/47/41/338174741.db2.gz DTMRQRQXDQWMNI-UHFFFAOYSA-N 1 2 319.453 2.593 20 30 DFEDLO C=CC[N@H+](Cc1nnnn1C1CCOCC1)CC1CCCCC1 ZINC000432947157 338174742 /nfs/dbraw/zinc/17/47/42/338174742.db2.gz DTMRQRQXDQWMNI-UHFFFAOYSA-N 1 2 319.453 2.593 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000433051984 338178658 /nfs/dbraw/zinc/17/86/58/338178658.db2.gz KDTFVUAYWFYGCE-QRQCRPRQSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000433051984 338178659 /nfs/dbraw/zinc/17/86/59/338178659.db2.gz KDTFVUAYWFYGCE-QRQCRPRQSA-N 1 2 320.458 2.712 20 30 DFEDLO CN(C)c1ccc(CNC(=O)[C@H](C#N)CCc2ccccc2)c[nH+]1 ZINC000433221362 338186362 /nfs/dbraw/zinc/18/63/62/338186362.db2.gz SUOQUZVKGVVIJK-KRWDZBQOSA-N 1 2 322.412 2.536 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3cncnc3C2)cc1OC ZINC000435769951 338248443 /nfs/dbraw/zinc/24/84/43/338248443.db2.gz MMCIADYYKPNLDF-UHFFFAOYSA-N 1 2 311.385 2.608 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3cncnc3C2)cc1OC ZINC000435769951 338248444 /nfs/dbraw/zinc/24/84/44/338248444.db2.gz MMCIADYYKPNLDF-UHFFFAOYSA-N 1 2 311.385 2.608 20 30 DFEDLO CCOC(=O)C[N@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000438464181 338344467 /nfs/dbraw/zinc/34/44/67/338344467.db2.gz YMJVHFFWYSITLQ-UHFFFAOYSA-N 1 2 303.377 2.985 20 30 DFEDLO CCOC(=O)C[N@@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000438464181 338344468 /nfs/dbraw/zinc/34/44/68/338344468.db2.gz YMJVHFFWYSITLQ-UHFFFAOYSA-N 1 2 303.377 2.985 20 30 DFEDLO C=CC[C@H]1[N@@H+](Cc2nnn(CC(F)(F)F)n2)CCCC1(C)C ZINC000440527721 338389211 /nfs/dbraw/zinc/38/92/11/338389211.db2.gz BWSRLBFQMCXZKZ-LLVKDONJSA-N 1 2 317.359 2.802 20 30 DFEDLO C=CC[C@H]1[N@H+](Cc2nnn(CC(F)(F)F)n2)CCCC1(C)C ZINC000440527721 338389212 /nfs/dbraw/zinc/38/92/12/338389212.db2.gz BWSRLBFQMCXZKZ-LLVKDONJSA-N 1 2 317.359 2.802 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000455309116 338889922 /nfs/dbraw/zinc/88/99/22/338889922.db2.gz KTNMUSQEKPLARK-CYBMUJFWSA-N 1 2 304.438 2.761 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459094171 339013471 /nfs/dbraw/zinc/01/34/71/339013471.db2.gz CSTOPIVCZNQXJX-DZGCQCFKSA-N 1 2 314.389 2.922 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459455055 339030057 /nfs/dbraw/zinc/03/00/57/339030057.db2.gz CEHRDILURJYMPX-UHFFFAOYSA-N 1 2 312.348 2.677 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459457152 339030126 /nfs/dbraw/zinc/03/01/26/339030126.db2.gz CTHDYXPZBYLYNQ-DMDPSCGWSA-N 1 2 321.808 2.957 20 30 DFEDLO CC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(OC)cc1 ZINC000459463327 339030584 /nfs/dbraw/zinc/03/05/84/339030584.db2.gz KZFJCORGTRJJMR-RCBQFDQVSA-N 1 2 301.390 2.694 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459703059 339043556 /nfs/dbraw/zinc/04/35/56/339043556.db2.gz LIDVWLFQEHLYAQ-UHFFFAOYSA-N 1 2 300.406 2.957 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000488460872 339783789 /nfs/dbraw/zinc/78/37/89/339783789.db2.gz FQIZCSIZMDNKKO-UHFFFAOYSA-N 1 2 312.417 2.845 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000488960495 339798230 /nfs/dbraw/zinc/79/82/30/339798230.db2.gz LFUNIOVQGMIXBX-MRXNPFEDSA-N 1 2 324.428 2.588 20 30 DFEDLO C#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491095702 339848671 /nfs/dbraw/zinc/84/86/71/339848671.db2.gz MOARDUZMCGVITK-KXQLTZBTSA-N 1 2 303.724 2.706 20 30 DFEDLO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(F)cc1 ZINC000491314360 339857671 /nfs/dbraw/zinc/85/76/71/339857671.db2.gz GDPAUEDRUJELRH-MRXNPFEDSA-N 1 2 320.327 2.511 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491777991 339880887 /nfs/dbraw/zinc/88/08/87/339880887.db2.gz YAKKYGUNFKFCKC-KRWDZBQOSA-N 1 2 310.401 2.533 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000496245117 340001380 /nfs/dbraw/zinc/00/13/80/340001380.db2.gz JTPYJLRFCZZDFL-INIZCTEOSA-N 1 2 301.390 2.538 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000496245117 340001381 /nfs/dbraw/zinc/00/13/81/340001381.db2.gz JTPYJLRFCZZDFL-INIZCTEOSA-N 1 2 301.390 2.538 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000496776702 340012659 /nfs/dbraw/zinc/01/26/59/340012659.db2.gz XQGMRHZZNUCHGN-UHFFFAOYSA-N 1 2 313.401 2.887 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000496776702 340012660 /nfs/dbraw/zinc/01/26/60/340012660.db2.gz XQGMRHZZNUCHGN-UHFFFAOYSA-N 1 2 313.401 2.887 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497008264 340018178 /nfs/dbraw/zinc/01/81/78/340018178.db2.gz OACHSNYQHZPKHU-RHSMWYFYSA-N 1 2 305.422 2.645 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497008264 340018179 /nfs/dbraw/zinc/01/81/79/340018179.db2.gz OACHSNYQHZPKHU-RHSMWYFYSA-N 1 2 305.422 2.645 20 30 DFEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000505828963 340179021 /nfs/dbraw/zinc/17/90/21/340179021.db2.gz ZRPLBTHPURRREK-AWEZNQCLSA-N 1 2 310.744 2.982 20 30 DFEDLO C[C@@H](NC(=O)NCCCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000176387838 340427077 /nfs/dbraw/zinc/42/70/77/340427077.db2.gz 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/nfs/dbraw/zinc/39/25/70/398392570.db2.gz UOOZBIQCGFDKKJ-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000592148378 398392571 /nfs/dbraw/zinc/39/25/71/398392571.db2.gz UOOZBIQCGFDKKJ-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO COC(=O)c1cccc2c1C[N@H+](CC#Cc1ccccc1)CC2 ZINC000592163685 398395360 /nfs/dbraw/zinc/39/53/60/398395360.db2.gz FZCUYEGDCHACIH-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO COC(=O)c1cccc2c1C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000592163685 398395362 /nfs/dbraw/zinc/39/53/62/398395362.db2.gz FZCUYEGDCHACIH-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO C=CCCCNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000581864337 398393992 /nfs/dbraw/zinc/39/39/92/398393992.db2.gz MISSYLZPCQLOQK-ZDUSSCGKSA-N 1 2 304.438 2.761 20 30 DFEDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000592162554 398394704 /nfs/dbraw/zinc/39/47/04/398394704.db2.gz OHUOWHZJRARPHE-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000592162554 398394708 /nfs/dbraw/zinc/39/47/08/398394708.db2.gz OHUOWHZJRARPHE-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO C=CCCSCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000596413549 398406790 /nfs/dbraw/zinc/40/67/90/398406790.db2.gz PCUWGEVCRWWKBA-UHFFFAOYSA-N 1 2 322.478 2.549 20 30 DFEDLO C=CCCSCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000596413549 398406793 /nfs/dbraw/zinc/40/67/93/398406793.db2.gz PCUWGEVCRWWKBA-UHFFFAOYSA-N 1 2 322.478 2.549 20 30 DFEDLO C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1[nH+]ccn1C ZINC000596489046 398427740 /nfs/dbraw/zinc/42/77/40/398427740.db2.gz TYJIRMDLLNEBTN-LLVKDONJSA-N 1 2 314.393 2.731 20 30 DFEDLO N#Cc1ccccc1CN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000022944289 398421413 /nfs/dbraw/zinc/42/14/13/398421413.db2.gz SXGDJSXOBLCJAY-UHFFFAOYSA-N 1 2 316.408 2.748 20 30 DFEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522652 398440706 /nfs/dbraw/zinc/44/07/06/398440706.db2.gz PKKAFLUKILDFHZ-CQSZACIVSA-N 1 2 315.200 2.852 20 30 DFEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522652 398440710 /nfs/dbraw/zinc/44/07/10/398440710.db2.gz PKKAFLUKILDFHZ-CQSZACIVSA-N 1 2 315.200 2.852 20 30 DFEDLO COc1cc(Br)c(C[NH2+][C@@H](C)CC#N)cc1OC ZINC000067406674 398433055 /nfs/dbraw/zinc/43/30/55/398433055.db2.gz AKLAJPAZUPRIFY-VIFPVBQESA-N 1 2 313.195 2.858 20 30 DFEDLO Cc1ccc(C[N@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000592497993 398434454 /nfs/dbraw/zinc/43/44/54/398434454.db2.gz SQCUVROXYFUNAQ-UHFFFAOYSA-N 1 2 307.357 2.667 20 30 DFEDLO Cc1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)o1 ZINC000592497993 398434456 /nfs/dbraw/zinc/43/44/56/398434456.db2.gz SQCUVROXYFUNAQ-UHFFFAOYSA-N 1 2 307.357 2.667 20 30 DFEDLO Cc1cc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592525839 398441837 /nfs/dbraw/zinc/44/18/37/398441837.db2.gz TUQAADMDDJZDPE-LBPRGKRZSA-N 1 2 315.236 2.670 20 30 DFEDLO Cc1cc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592525839 398441839 /nfs/dbraw/zinc/44/18/39/398441839.db2.gz TUQAADMDDJZDPE-LBPRGKRZSA-N 1 2 315.236 2.670 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3ccc(F)c(C#N)c3)[nH+]c12 ZINC000585745629 398444487 /nfs/dbraw/zinc/44/44/87/398444487.db2.gz FEOWVMDJCRWNAA-UHFFFAOYSA-N 1 2 322.343 2.626 20 30 DFEDLO C#CC[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000089592313 398457837 /nfs/dbraw/zinc/45/78/37/398457837.db2.gz FWGXEQSGWDUMOG-UHFFFAOYSA-N 1 2 310.788 2.515 20 30 DFEDLO C=CC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc32)CC1 ZINC000284279017 398465845 /nfs/dbraw/zinc/46/58/45/398465845.db2.gz MXYRMECZVGJGPY-UHFFFAOYSA-N 1 2 318.808 2.597 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000588161742 398486127 /nfs/dbraw/zinc/48/61/27/398486127.db2.gz QVFDQUWDBZBWCX-UHFFFAOYSA-N 1 2 317.408 2.944 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596827689 398509123 /nfs/dbraw/zinc/50/91/23/398509123.db2.gz QNXFVSDRHCESKI-KFWWJZLASA-N 1 2 315.417 2.784 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596827689 398509126 /nfs/dbraw/zinc/50/91/26/398509126.db2.gz QNXFVSDRHCESKI-KFWWJZLASA-N 1 2 315.417 2.784 20 30 DFEDLO C[C@H]1Oc2ccccc2[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588858446 398511736 /nfs/dbraw/zinc/51/17/36/398511736.db2.gz KYLQNGXKGIJBEC-IAQYHMDHSA-N 1 2 320.356 2.674 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593017037 398521151 /nfs/dbraw/zinc/52/11/51/398521151.db2.gz GFDJUPJQHBLTJG-UHFFFAOYSA-N 1 2 312.329 2.502 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593017037 398521153 /nfs/dbraw/zinc/52/11/53/398521153.db2.gz GFDJUPJQHBLTJG-UHFFFAOYSA-N 1 2 312.329 2.502 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000596894324 398524603 /nfs/dbraw/zinc/52/46/03/398524603.db2.gz LEYORWDKVPHXBN-NWDGAFQWSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000596894324 398524604 /nfs/dbraw/zinc/52/46/04/398524604.db2.gz LEYORWDKVPHXBN-NWDGAFQWSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000596894329 398524699 /nfs/dbraw/zinc/52/46/99/398524699.db2.gz LEYORWDKVPHXBN-VXGBXAGGSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000596894329 398524701 /nfs/dbraw/zinc/52/47/01/398524701.db2.gz LEYORWDKVPHXBN-VXGBXAGGSA-N 1 2 306.435 2.863 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596908097 398526885 /nfs/dbraw/zinc/52/68/85/398526885.db2.gz XVBMLIDBARXRKX-XJKSGUPXSA-N 1 2 322.412 2.996 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596908097 398526887 /nfs/dbraw/zinc/52/68/87/398526887.db2.gz XVBMLIDBARXRKX-XJKSGUPXSA-N 1 2 322.412 2.996 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058073 398533581 /nfs/dbraw/zinc/53/35/81/398533581.db2.gz IUOWBSWWVUZCKW-GJZGRUSLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058073 398533586 /nfs/dbraw/zinc/53/35/86/398533586.db2.gz IUOWBSWWVUZCKW-GJZGRUSLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)CO1 ZINC000593063785 398535756 /nfs/dbraw/zinc/53/57/56/398535756.db2.gz NDLWCGAMBPJPGE-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)CO1 ZINC000593063785 398535759 /nfs/dbraw/zinc/53/57/59/398535759.db2.gz NDLWCGAMBPJPGE-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593071736 398537770 /nfs/dbraw/zinc/53/77/70/398537770.db2.gz ADJSNYHIQIUFKV-AWEZNQCLSA-N 1 2 320.339 2.894 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279743208 215107638 /nfs/dbraw/zinc/10/76/38/215107638.db2.gz KRLIZPWIACGUPQ-OAHLLOKOSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279743208 215107641 /nfs/dbraw/zinc/10/76/41/215107641.db2.gz KRLIZPWIACGUPQ-OAHLLOKOSA-N 1 2 320.458 2.606 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116885 398549564 /nfs/dbraw/zinc/54/95/64/398549564.db2.gz KDCUXISLJDVKJE-BMIGLBTASA-N 1 2 323.343 2.826 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116885 398549566 /nfs/dbraw/zinc/54/95/66/398549566.db2.gz KDCUXISLJDVKJE-BMIGLBTASA-N 1 2 323.343 2.826 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279752459 215115437 /nfs/dbraw/zinc/11/54/37/215115437.db2.gz LOAPBZSCHPJXTO-XJKSGUPXSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279752459 215115440 /nfs/dbraw/zinc/11/54/40/215115440.db2.gz LOAPBZSCHPJXTO-XJKSGUPXSA-N 1 2 315.417 2.632 20 30 DFEDLO COc1cccc(NC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593125818 398553370 /nfs/dbraw/zinc/55/33/70/398553370.db2.gz GYARYDXFMTZYKN-UHFFFAOYSA-N 1 2 321.380 2.911 20 30 DFEDLO COc1cccc(NC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593125818 398553375 /nfs/dbraw/zinc/55/33/75/398553375.db2.gz GYARYDXFMTZYKN-UHFFFAOYSA-N 1 2 321.380 2.911 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccc(F)cc2s1 ZINC000593155563 398559579 /nfs/dbraw/zinc/55/95/79/398559579.db2.gz DCVSYVSVIOJPMX-HNNXBMFYSA-N 1 2 305.378 2.614 20 30 DFEDLO C[C@H](CC#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000597170700 398581430 /nfs/dbraw/zinc/58/14/30/398581430.db2.gz XXSGJDWGMFSPCU-CQSZACIVSA-N 1 2 300.406 2.628 20 30 DFEDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ncnn21 ZINC000597181964 398584344 /nfs/dbraw/zinc/58/43/44/398584344.db2.gz PUWFGLUMEVNEAF-NOZJJQNGSA-N 1 2 321.306 2.964 20 30 DFEDLO COc1cc(OC)c(C[NH2+][C@H]2CCCC[C@@H]2C#N)c(OC)c1 ZINC000597195766 398587453 /nfs/dbraw/zinc/58/74/53/398587453.db2.gz AERDNAHCGFVSLI-DOMZBBRYSA-N 1 2 304.390 2.884 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000597206100 398590185 /nfs/dbraw/zinc/59/01/85/398590185.db2.gz LNPJWTVKSYHTTJ-CHWSQXEVSA-N 1 2 321.371 2.595 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000597206100 398590187 /nfs/dbraw/zinc/59/01/87/398590187.db2.gz LNPJWTVKSYHTTJ-CHWSQXEVSA-N 1 2 321.371 2.595 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC000070739630 398597147 /nfs/dbraw/zinc/59/71/47/398597147.db2.gz VOMZVHCZSCKWEQ-LLVKDONJSA-N 1 2 311.223 2.572 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000070739630 398597149 /nfs/dbraw/zinc/59/71/49/398597149.db2.gz VOMZVHCZSCKWEQ-LLVKDONJSA-N 1 2 311.223 2.572 20 30 DFEDLO C[C@]1(C#N)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000597231443 398599026 /nfs/dbraw/zinc/59/90/26/398599026.db2.gz XHSWEPWNCADXJO-CQSZACIVSA-N 1 2 319.206 2.832 20 30 DFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590215419 398606156 /nfs/dbraw/zinc/60/61/56/398606156.db2.gz BTBOZGWNSHFIBU-AWEZNQCLSA-N 1 2 315.392 2.725 20 30 DFEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000350338359 398603182 /nfs/dbraw/zinc/60/31/82/398603182.db2.gz YTCDDTSTLSQAPE-HOTGVXAUSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000350338359 398603188 /nfs/dbraw/zinc/60/31/88/398603188.db2.gz YTCDDTSTLSQAPE-HOTGVXAUSA-N 1 2 324.384 2.728 20 30 DFEDLO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000593398347 398618613 /nfs/dbraw/zinc/61/86/13/398618613.db2.gz DVENGEUQTOGEEL-ZDUSSCGKSA-N 1 2 308.385 2.511 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000331414588 233388733 /nfs/dbraw/zinc/38/87/33/233388733.db2.gz DBSMKMHNNDCWKT-LSDHHAIUSA-N 1 2 323.318 2.699 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000331414588 233388737 /nfs/dbraw/zinc/38/87/37/233388737.db2.gz DBSMKMHNNDCWKT-LSDHHAIUSA-N 1 2 323.318 2.699 20 30 DFEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)S1 ZINC000072769603 398635525 /nfs/dbraw/zinc/63/55/25/398635525.db2.gz NGJBOQMWYAJGJE-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1C#N ZINC000597413814 398637458 /nfs/dbraw/zinc/63/74/58/398637458.db2.gz IFHJTQJGUXAMOO-HUUCEWRRSA-N 1 2 324.384 2.821 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000597420513 398638180 /nfs/dbraw/zinc/63/81/80/398638180.db2.gz FQKCLOKYUAJDEQ-CABCVRRESA-N 1 2 308.385 2.676 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000597420513 398638183 /nfs/dbraw/zinc/63/81/83/398638183.db2.gz FQKCLOKYUAJDEQ-CABCVRRESA-N 1 2 308.385 2.676 20 30 DFEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CC1(C#N)CCOCC1 ZINC000597433363 398639933 /nfs/dbraw/zinc/63/99/33/398639933.db2.gz IOEYLHCWQQPHHW-UHFFFAOYSA-N 1 2 317.389 2.908 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)c(F)c1 ZINC000044438103 398642722 /nfs/dbraw/zinc/64/27/22/398642722.db2.gz YTPTVEHKMZSKKR-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)c(F)c1 ZINC000044438103 398642725 /nfs/dbraw/zinc/64/27/25/398642725.db2.gz YTPTVEHKMZSKKR-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000179676878 186203818 /nfs/dbraw/zinc/20/38/18/186203818.db2.gz YKYAVOKHMDWKPA-QGZVFWFLSA-N 1 2 313.376 2.958 20 30 DFEDLO CC[C@@H](C#N)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000593495777 398645591 /nfs/dbraw/zinc/64/55/91/398645591.db2.gz IPVIQRNBMQVEAT-INIZCTEOSA-N 1 2 314.433 2.696 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1F ZINC000590654479 398646555 /nfs/dbraw/zinc/64/65/55/398646555.db2.gz HQJUFRRZVLRCTM-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593552251 398655408 /nfs/dbraw/zinc/65/54/08/398655408.db2.gz JUWVAPCHDPRJGI-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593552251 398655409 /nfs/dbraw/zinc/65/54/09/398655409.db2.gz JUWVAPCHDPRJGI-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000590714629 398657580 /nfs/dbraw/zinc/65/75/80/398657580.db2.gz QWCFUMSENCONLA-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000171940560 198011322 /nfs/dbraw/zinc/01/13/22/198011322.db2.gz YGVGMEIXEUIQQJ-SFHVURJKSA-N 1 2 305.381 2.796 20 30 DFEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000171940560 198011324 /nfs/dbraw/zinc/01/13/24/198011324.db2.gz YGVGMEIXEUIQQJ-SFHVURJKSA-N 1 2 305.381 2.796 20 30 DFEDLO C[C@]12CN(c3[nH+]cnc4c3cnn4CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590737998 398662445 /nfs/dbraw/zinc/66/24/45/398662445.db2.gz KZSORNNSBHZUJW-VAGZCVSGSA-N 1 2 322.416 2.612 20 30 DFEDLO N#CC1(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000597581321 398664385 /nfs/dbraw/zinc/66/43/85/398664385.db2.gz ODINBLWPEQMTSN-MRXNPFEDSA-N 1 2 313.401 2.925 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc1 ZINC000590754346 398666996 /nfs/dbraw/zinc/66/69/96/398666996.db2.gz ZWBICJOFCHLNQL-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc1 ZINC000590754346 398666999 /nfs/dbraw/zinc/66/69/99/398666999.db2.gz ZWBICJOFCHLNQL-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172592828 198120115 /nfs/dbraw/zinc/12/01/15/198120115.db2.gz PQLGGBGGEMRUHH-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172592828 198120117 /nfs/dbraw/zinc/12/01/17/198120117.db2.gz PQLGGBGGEMRUHH-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000597656885 398675193 /nfs/dbraw/zinc/67/51/93/398675193.db2.gz NJTNHQNODOKHCT-MAUKXSAKSA-N 1 2 322.412 2.767 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000597656885 398675195 /nfs/dbraw/zinc/67/51/95/398675195.db2.gz NJTNHQNODOKHCT-MAUKXSAKSA-N 1 2 322.412 2.767 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593707177 398675500 /nfs/dbraw/zinc/67/55/00/398675500.db2.gz CGTABBSTPKKXEN-QGZVFWFLSA-N 1 2 322.412 2.705 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593743417 398679661 /nfs/dbraw/zinc/67/96/61/398679661.db2.gz CWUTXILGOXHWGR-CQSZACIVSA-N 1 2 322.412 2.853 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)c2[nH+]ccn21 ZINC000590875764 398692579 /nfs/dbraw/zinc/69/25/79/398692579.db2.gz WMNJVFHGSLKELW-GXTWGEPZSA-N 1 2 319.368 2.797 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C2 ZINC000597796424 398697435 /nfs/dbraw/zinc/69/74/35/398697435.db2.gz MSWZDDPIUQMITP-WBMJQRKESA-N 1 2 322.412 2.914 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000597796424 398697439 /nfs/dbraw/zinc/69/74/39/398697439.db2.gz MSWZDDPIUQMITP-WBMJQRKESA-N 1 2 322.412 2.914 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597797237 398697737 /nfs/dbraw/zinc/69/77/37/398697737.db2.gz WCPXKXHFANBHJB-DAXOMENPSA-N 1 2 308.385 2.615 20 30 DFEDLO CC(C)[NH+]1CC(NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000590910288 398699533 /nfs/dbraw/zinc/69/95/33/398699533.db2.gz DKVGJGZQEFMLED-UHFFFAOYSA-N 1 2 312.200 2.687 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CCC2)cc1 ZINC000597826165 398702186 /nfs/dbraw/zinc/70/21/86/398702186.db2.gz JRWARCDFRNZZMX-CQSZACIVSA-N 1 2 320.396 2.582 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CCC2)cc1 ZINC000597826165 398702188 /nfs/dbraw/zinc/70/21/88/398702188.db2.gz JRWARCDFRNZZMX-CQSZACIVSA-N 1 2 320.396 2.582 20 30 DFEDLO C=CCOc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000046387823 398705740 /nfs/dbraw/zinc/70/57/40/398705740.db2.gz WCVNVLNZGMNAOD-UHFFFAOYSA-N 1 2 311.385 2.642 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590952774 398706913 /nfs/dbraw/zinc/70/69/13/398706913.db2.gz DYAIAKOWZOQAIY-AWEZNQCLSA-N 1 2 311.345 2.500 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCC#N)c1ccccc1F ZINC000593950216 398707069 /nfs/dbraw/zinc/70/70/69/398707069.db2.gz FDZPQULYVRFBBF-MRXNPFEDSA-N 1 2 314.364 2.849 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281289987 334979206 /nfs/dbraw/zinc/97/92/06/334979206.db2.gz AFPRTCLCANJZTL-CABCVRRESA-N 1 2 305.422 2.938 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000593969895 398710551 /nfs/dbraw/zinc/71/05/51/398710551.db2.gz FMYYOPYVGIDXPM-ZDUSSCGKSA-N 1 2 315.377 2.922 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000593993112 398716151 /nfs/dbraw/zinc/71/61/51/398716151.db2.gz JFKHVCFOAHVPII-UHFFFAOYSA-N 1 2 303.381 2.554 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000332387215 234892245 /nfs/dbraw/zinc/89/22/45/234892245.db2.gz JQIRSWINGVPBFD-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCCC[C@@H]1C#N ZINC000598074819 398748631 /nfs/dbraw/zinc/74/86/31/398748631.db2.gz IVDMGUQCVXRODQ-KGLIPLIRSA-N 1 2 310.401 2.797 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000598078034 398749144 /nfs/dbraw/zinc/74/91/44/398749144.db2.gz UVTKXLLHTMIBEQ-DLBZAZTESA-N 1 2 308.385 2.744 20 30 DFEDLO CO[C@@H](CC(C)C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000591374252 398754550 /nfs/dbraw/zinc/75/45/50/398754550.db2.gz BYASEBZHSRVGAG-MOPGFXCFSA-N 1 2 315.461 2.757 20 30 DFEDLO CO[C@@H](CC(C)C)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000591374252 398754553 /nfs/dbraw/zinc/75/45/53/398754553.db2.gz BYASEBZHSRVGAG-MOPGFXCFSA-N 1 2 315.461 2.757 20 30 DFEDLO O=C(C#Cc1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000081568636 192292414 /nfs/dbraw/zinc/29/24/14/192292414.db2.gz SYUNVENFUVRURS-UHFFFAOYSA-N 1 2 319.408 2.740 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)c1ccc(C#N)cc1 ZINC000591616620 398776806 /nfs/dbraw/zinc/77/68/06/398776806.db2.gz XAUMZBXAMAXASE-WFASDCNBSA-N 1 2 312.373 2.686 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000594325826 398783086 /nfs/dbraw/zinc/78/30/86/398783086.db2.gz MRGLLAPPSWXBJI-PBHICJAKSA-N 1 2 322.412 2.627 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(COC(C)(C)C)cc1 ZINC000591774111 398786800 /nfs/dbraw/zinc/78/68/00/398786800.db2.gz QYAULPCUGXYPEH-QGZVFWFLSA-N 1 2 319.449 2.620 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(COC(C)(C)C)cc1 ZINC000591774111 398786805 /nfs/dbraw/zinc/78/68/05/398786805.db2.gz QYAULPCUGXYPEH-QGZVFWFLSA-N 1 2 319.449 2.620 20 30 DFEDLO N#CC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000591815798 398790222 /nfs/dbraw/zinc/79/02/22/398790222.db2.gz XTIDUXCGMNOQIE-OAHLLOKOSA-N 1 2 308.385 2.884 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075551458 398810026 /nfs/dbraw/zinc/81/00/26/398810026.db2.gz BYPBULDBBBYURQ-MOEXGYKKSA-N 1 2 306.369 2.701 20 30 DFEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)o1 ZINC000179574877 199057539 /nfs/dbraw/zinc/05/75/39/199057539.db2.gz AAZCPQVMHSOLHK-UHFFFAOYSA-N 1 2 319.311 2.890 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)o1 ZINC000179574877 199057540 /nfs/dbraw/zinc/05/75/40/199057540.db2.gz AAZCPQVMHSOLHK-UHFFFAOYSA-N 1 2 319.311 2.890 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000594541531 398818114 /nfs/dbraw/zinc/81/81/14/398818114.db2.gz ASBGRIDJYOFXGZ-LBPRGKRZSA-N 1 2 307.357 2.612 20 30 DFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592561 398837319 /nfs/dbraw/zinc/83/73/19/398837319.db2.gz MFKQALQHVDCIOM-DZGCQCFKSA-N 1 2 306.406 2.516 20 30 DFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592561 398837321 /nfs/dbraw/zinc/83/73/21/398837321.db2.gz MFKQALQHVDCIOM-DZGCQCFKSA-N 1 2 306.406 2.516 20 30 DFEDLO COc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc(OC)c1O ZINC000594616072 398834923 /nfs/dbraw/zinc/83/49/23/398834923.db2.gz YSKHGVHCKXBNHG-UHFFFAOYSA-N 1 2 310.353 2.797 20 30 DFEDLO COc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc(OC)c1O ZINC000594616072 398834925 /nfs/dbraw/zinc/83/49/25/398834925.db2.gz YSKHGVHCKXBNHG-UHFFFAOYSA-N 1 2 310.353 2.797 20 30 DFEDLO CC[C@H](C)Oc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OC ZINC000129924798 398840541 /nfs/dbraw/zinc/84/05/41/398840541.db2.gz HEJCEBQQIJQTQQ-HNNXBMFYSA-N 1 2 317.433 2.514 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1C ZINC000594713150 398847272 /nfs/dbraw/zinc/84/72/72/398847272.db2.gz YQTCROUPTPCZFT-GOSISDBHSA-N 1 2 308.381 2.913 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1nccs1)[C@@H]1CCc2ccccc21 ZINC000052845918 398852495 /nfs/dbraw/zinc/85/24/95/398852495.db2.gz QYLFFTQCOGHCAP-OAHLLOKOSA-N 1 2 311.410 2.704 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1nccs1)[C@@H]1CCc2ccccc21 ZINC000052845918 398852499 /nfs/dbraw/zinc/85/24/99/398852499.db2.gz QYLFFTQCOGHCAP-OAHLLOKOSA-N 1 2 311.410 2.704 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598650916 398848392 /nfs/dbraw/zinc/84/83/92/398848392.db2.gz SPFSNWVYCIBMTK-IUODEOHRSA-N 1 2 315.408 2.798 20 30 DFEDLO CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1c[nH+]c[nH]1 ZINC000598696655 398857157 /nfs/dbraw/zinc/85/71/57/398857157.db2.gz SBELXYDJNPXOEG-UHFFFAOYSA-N 1 2 320.396 2.875 20 30 DFEDLO N#Cc1csc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)n1 ZINC000594968081 398883707 /nfs/dbraw/zinc/88/37/07/398883707.db2.gz MZOTWCRIHNUYJB-NSHDSACASA-N 1 2 319.352 2.994 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053944768 398885056 /nfs/dbraw/zinc/88/50/56/398885056.db2.gz JSNFMNZJJCFWJI-UHFFFAOYSA-N 1 2 315.461 2.651 20 30 DFEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000181020584 199241298 /nfs/dbraw/zinc/24/12/98/199241298.db2.gz IWQVYAGWZLVMPR-UHFFFAOYSA-N 1 2 314.410 2.837 20 30 DFEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000181020584 199241300 /nfs/dbraw/zinc/24/13/00/199241300.db2.gz IWQVYAGWZLVMPR-UHFFFAOYSA-N 1 2 314.410 2.837 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](CCC(F)(F)F)CC2)c(F)c1 ZINC000077275643 398895222 /nfs/dbraw/zinc/89/52/22/398895222.db2.gz PHHGZZCEBQKVOZ-UHFFFAOYSA-N 1 2 301.287 2.772 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188453693 200249325 /nfs/dbraw/zinc/24/93/25/200249325.db2.gz GPAQLBMANXFJER-OAHLLOKOSA-N 1 2 324.384 2.500 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595330624 398922767 /nfs/dbraw/zinc/92/27/67/398922767.db2.gz MIOYLXKQSXETIY-KRWDZBQOSA-N 1 2 320.440 2.875 20 30 DFEDLO C=CCC[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000189011490 200335323 /nfs/dbraw/zinc/33/53/23/200335323.db2.gz RXINMUDAZVKJAT-GOSISDBHSA-N 1 2 316.445 2.527 20 30 DFEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@H]1C ZINC000189270734 200373151 /nfs/dbraw/zinc/37/31/51/200373151.db2.gz HCYZAVXDKLJRRI-QMTHXVAHSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@H]1C ZINC000189270734 200373152 /nfs/dbraw/zinc/37/31/52/200373152.db2.gz HCYZAVXDKLJRRI-QMTHXVAHSA-N 1 2 321.446 2.532 20 30 DFEDLO C=CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000189186873 200361317 /nfs/dbraw/zinc/36/13/17/200361317.db2.gz PHTFRWRBBFRAOV-NUJGCVRESA-N 1 2 316.445 2.572 20 30 DFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595494429 398949873 /nfs/dbraw/zinc/94/98/73/398949873.db2.gz YMBHFHGWDGIGDL-COXVUDFISA-N 1 2 319.836 2.700 20 30 DFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC1(C#N)CC1 ZINC000599304795 398951780 /nfs/dbraw/zinc/95/17/80/398951780.db2.gz PDZGKLFAXWOXTQ-SECBINFHSA-N 1 2 319.352 2.648 20 30 DFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC1(C#N)CC1 ZINC000599304795 398951784 /nfs/dbraw/zinc/95/17/84/398951784.db2.gz PDZGKLFAXWOXTQ-SECBINFHSA-N 1 2 319.352 2.648 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC2 ZINC000599325796 398954404 /nfs/dbraw/zinc/95/44/04/398954404.db2.gz LOSAFTVOMQEHSP-HNNXBMFYSA-N 1 2 302.422 2.542 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000595532252 398957264 /nfs/dbraw/zinc/95/72/64/398957264.db2.gz PXJACJCYMMVFOK-RDTXWAMCSA-N 1 2 323.400 2.878 20 30 DFEDLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000595548231 398965613 /nfs/dbraw/zinc/96/56/13/398965613.db2.gz BGWVZEANBASMJL-LLVKDONJSA-N 1 2 300.318 2.956 20 30 DFEDLO Cc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000595548231 398965614 /nfs/dbraw/zinc/96/56/14/398965614.db2.gz BGWVZEANBASMJL-LLVKDONJSA-N 1 2 300.318 2.956 20 30 DFEDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000595548232 398965687 /nfs/dbraw/zinc/96/56/87/398965687.db2.gz BGWVZEANBASMJL-NSHDSACASA-N 1 2 300.318 2.956 20 30 DFEDLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000595548232 398965690 /nfs/dbraw/zinc/96/56/90/398965690.db2.gz BGWVZEANBASMJL-NSHDSACASA-N 1 2 300.318 2.956 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552265 398967247 /nfs/dbraw/zinc/96/72/47/398967247.db2.gz RTLPFROJYWBLCK-MRXNPFEDSA-N 1 2 313.401 2.545 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000613409216 398975500 /nfs/dbraw/zinc/97/55/00/398975500.db2.gz PATKMHRQEQODHB-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599440406 398983973 /nfs/dbraw/zinc/98/39/73/398983973.db2.gz SFCZIKMBCZSQLT-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)C2 ZINC000165246676 398991533 /nfs/dbraw/zinc/99/15/33/398991533.db2.gz FUAFHLWACHIOAP-JKSUJKDBSA-N 1 2 322.412 2.984 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000165246676 398991542 /nfs/dbraw/zinc/99/15/42/398991542.db2.gz FUAFHLWACHIOAP-JKSUJKDBSA-N 1 2 322.412 2.984 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000599493918 398993545 /nfs/dbraw/zinc/99/35/45/398993545.db2.gz CWININZRVAXFLQ-KRWDZBQOSA-N 1 2 301.390 2.649 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000599493918 398993548 /nfs/dbraw/zinc/99/35/48/398993548.db2.gz CWININZRVAXFLQ-KRWDZBQOSA-N 1 2 301.390 2.649 20 30 DFEDLO COc1ccc(C[NH+]2CC3(C2)CCCO3)cc1OCCCC#N ZINC000600188740 398996013 /nfs/dbraw/zinc/99/60/13/398996013.db2.gz BHHWGIHZQPCSTC-UHFFFAOYSA-N 1 2 316.401 2.743 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612438 399000507 /nfs/dbraw/zinc/00/05/07/399000507.db2.gz WVHZDEMKKIDJCS-CQSZACIVSA-N 1 2 301.390 2.568 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612438 399000511 /nfs/dbraw/zinc/00/05/11/399000511.db2.gz WVHZDEMKKIDJCS-CQSZACIVSA-N 1 2 301.390 2.568 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620762 399006401 /nfs/dbraw/zinc/00/64/01/399006401.db2.gz QBMVEVLKNADNAL-PBHICJAKSA-N 1 2 315.392 2.947 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620762 399006404 /nfs/dbraw/zinc/00/64/04/399006404.db2.gz QBMVEVLKNADNAL-PBHICJAKSA-N 1 2 315.392 2.947 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000275520323 212389921 /nfs/dbraw/zinc/38/99/21/212389921.db2.gz DVDGAZYXBAQYQH-NWDGAFQWSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000275520323 212389924 /nfs/dbraw/zinc/38/99/24/212389924.db2.gz DVDGAZYXBAQYQH-NWDGAFQWSA-N 1 2 300.362 2.842 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C#N)c1C ZINC000599552436 399012273 /nfs/dbraw/zinc/01/22/73/399012273.db2.gz CHLYFIZOZLKHFX-OLZOCXBDSA-N 1 2 319.430 2.677 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C#N)c1C ZINC000599552436 399012277 /nfs/dbraw/zinc/01/22/77/399012277.db2.gz CHLYFIZOZLKHFX-OLZOCXBDSA-N 1 2 319.430 2.677 20 30 DFEDLO CO[C@@H](C)c1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595637257 399013014 /nfs/dbraw/zinc/01/30/14/399013014.db2.gz VGRZAOKLSLXCBH-NSHDSACASA-N 1 2 300.362 2.674 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583088 399021029 /nfs/dbraw/zinc/02/10/29/399021029.db2.gz QHEZBJYQUUMWNV-WCQYABFASA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583088 399021032 /nfs/dbraw/zinc/02/10/32/399021032.db2.gz QHEZBJYQUUMWNV-WCQYABFASA-N 1 2 321.446 2.814 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000595658339 399023564 /nfs/dbraw/zinc/02/35/64/399023564.db2.gz TYQBYOUGHWRCJQ-UHFFFAOYSA-N 1 2 311.429 2.696 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000595658339 399023566 /nfs/dbraw/zinc/02/35/66/399023566.db2.gz TYQBYOUGHWRCJQ-UHFFFAOYSA-N 1 2 311.429 2.696 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)NCc3ccc(C#N)cc3)cn2c1 ZINC000057224700 399026983 /nfs/dbraw/zinc/02/69/83/399026983.db2.gz OAGCXTAJFKFGRV-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@@H](C)O2)n1 ZINC000599608357 399028371 /nfs/dbraw/zinc/02/83/71/399028371.db2.gz UDYOOEYWKINESK-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1noc([C@H]2C[N@H+](Cc3ccc(C#N)cc3C)C[C@@H](C)O2)n1 ZINC000599608357 399028372 /nfs/dbraw/zinc/02/83/72/399028372.db2.gz UDYOOEYWKINESK-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000595691424 399036171 /nfs/dbraw/zinc/03/61/71/399036171.db2.gz IFPUWZBNISJAKN-FIXISWKDSA-N 1 2 307.344 2.964 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282510314 334994641 /nfs/dbraw/zinc/99/46/41/334994641.db2.gz ZRIWLJSRRWPEPV-OAHLLOKOSA-N 1 2 313.445 2.975 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595692445 399037818 /nfs/dbraw/zinc/03/78/18/399037818.db2.gz OEFWPAXZFQOSRS-KBPBESRZSA-N 1 2 301.390 2.614 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)o1 ZINC000255393867 283876935 /nfs/dbraw/zinc/87/69/35/283876935.db2.gz AOSGTRLYBUIUMX-DAXSKMNVSA-N 1 2 307.397 2.982 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645807 399041814 /nfs/dbraw/zinc/04/18/14/399041814.db2.gz FJWCSVUQPYYJIA-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645807 399041819 /nfs/dbraw/zinc/04/18/19/399041819.db2.gz FJWCSVUQPYYJIA-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645785 399042064 /nfs/dbraw/zinc/04/20/64/399042064.db2.gz DZPOWZWDAYFXCN-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645785 399042067 /nfs/dbraw/zinc/04/20/67/399042067.db2.gz DZPOWZWDAYFXCN-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000595696897 399041265 /nfs/dbraw/zinc/04/12/65/399041265.db2.gz FJMVTAAMJXZILB-DOTOQJQBSA-N 1 2 310.401 2.605 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000595696977 399041275 /nfs/dbraw/zinc/04/12/75/399041275.db2.gz CMOVKKZSLABXSD-CQDKDKBSSA-N 1 2 319.355 2.742 20 30 DFEDLO Cc1cc(C2([NH2+]Cc3cccc(F)c3C#N)CCOCC2)on1 ZINC000599677107 399056329 /nfs/dbraw/zinc/05/63/29/399056329.db2.gz XKUFSUXOFIMCPL-UHFFFAOYSA-N 1 2 315.348 2.789 20 30 DFEDLO CCCn1c(C)nnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677802 399059557 /nfs/dbraw/zinc/05/95/57/399059557.db2.gz OCABAWFDOFPQQO-UHFFFAOYSA-N 1 2 309.417 2.621 20 30 DFEDLO CCCn1c(C)nnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677802 399059561 /nfs/dbraw/zinc/05/95/61/399059561.db2.gz OCABAWFDOFPQQO-UHFFFAOYSA-N 1 2 309.417 2.621 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000606447150 399074447 /nfs/dbraw/zinc/07/44/47/399074447.db2.gz IVTRZOWVFSYLGN-QGZVFWFLSA-N 1 2 316.445 2.791 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(C4CC4)no3)CCOCC2)c1 ZINC000595774792 399079819 /nfs/dbraw/zinc/07/98/19/399079819.db2.gz SMJQEARZMKKPDF-UHFFFAOYSA-N 1 2 324.384 2.614 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3noc(C4CC4)n3)CCOCC2)c1 ZINC000595774079 399080627 /nfs/dbraw/zinc/08/06/27/399080627.db2.gz OAOQVDKVLVOJNV-UHFFFAOYSA-N 1 2 324.384 2.614 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000058452940 399082693 /nfs/dbraw/zinc/08/26/93/399082693.db2.gz HFGRSZAMDHFYIW-UHFFFAOYSA-N 1 2 309.373 2.649 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)o1 ZINC000595794621 399087789 /nfs/dbraw/zinc/08/77/89/399087789.db2.gz QVDMXGBNHHZRNI-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)o1 ZINC000595794621 399087796 /nfs/dbraw/zinc/08/77/96/399087796.db2.gz QVDMXGBNHHZRNI-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595809477 399093774 /nfs/dbraw/zinc/09/37/74/399093774.db2.gz ROWBVYYQYIOFFM-ZDUSSCGKSA-N 1 2 315.373 3.000 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595809477 399093779 /nfs/dbraw/zinc/09/37/79/399093779.db2.gz ROWBVYYQYIOFFM-ZDUSSCGKSA-N 1 2 315.373 3.000 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000058889870 399099706 /nfs/dbraw/zinc/09/97/06/399099706.db2.gz FZPWYDJTCZHACE-DYVFJYSZSA-N 1 2 305.397 2.700 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000058889870 399099709 /nfs/dbraw/zinc/09/97/09/399099709.db2.gz FZPWYDJTCZHACE-DYVFJYSZSA-N 1 2 305.397 2.700 20 30 DFEDLO C=C(C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283671472 335007563 /nfs/dbraw/zinc/00/75/63/335007563.db2.gz YESZRABJVIIAAY-AWEZNQCLSA-N 1 2 302.422 2.685 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838656 399108224 /nfs/dbraw/zinc/10/82/24/399108224.db2.gz XOFBDBKNJRSBTG-SJCJKPOMSA-N 1 2 321.371 2.720 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838656 399108232 /nfs/dbraw/zinc/10/82/32/399108232.db2.gz XOFBDBKNJRSBTG-SJCJKPOMSA-N 1 2 321.371 2.720 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(OC)cc1 ZINC000059423205 399110481 /nfs/dbraw/zinc/11/04/81/399110481.db2.gz KZTBATMJVSOFKN-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO C=CC[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(OC)cc1 ZINC000059423205 399110475 /nfs/dbraw/zinc/11/04/75/399110475.db2.gz KZTBATMJVSOFKN-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595849667 399112464 /nfs/dbraw/zinc/11/24/64/399112464.db2.gz CKYZCQUZIJWPMH-UHFFFAOYSA-N 1 2 310.353 2.537 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595849667 399112466 /nfs/dbraw/zinc/11/24/66/399112466.db2.gz CKYZCQUZIJWPMH-UHFFFAOYSA-N 1 2 310.353 2.537 20 30 DFEDLO N#CCC(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000613902525 399112649 /nfs/dbraw/zinc/11/26/49/399112649.db2.gz YJIBBKGKYUEIFM-UHFFFAOYSA-N 1 2 312.398 2.554 20 30 DFEDLO N#CCC(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000613902525 399112652 /nfs/dbraw/zinc/11/26/52/399112652.db2.gz YJIBBKGKYUEIFM-UHFFFAOYSA-N 1 2 312.398 2.554 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093413573 193246204 /nfs/dbraw/zinc/24/62/04/193246204.db2.gz COAHZWNZQKMGBC-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093413573 193246205 /nfs/dbraw/zinc/24/62/05/193246205.db2.gz COAHZWNZQKMGBC-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1=CCSC1 ZINC000595887989 399124538 /nfs/dbraw/zinc/12/45/38/399124538.db2.gz KJDLWUWASIVJBI-UHFFFAOYSA-N 1 2 321.833 2.755 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1=CCSC1 ZINC000595887989 399124541 /nfs/dbraw/zinc/12/45/41/399124541.db2.gz KJDLWUWASIVJBI-UHFFFAOYSA-N 1 2 321.833 2.755 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887648 399124401 /nfs/dbraw/zinc/12/44/01/399124401.db2.gz ANSGZEHWVXQOLS-ZDUSSCGKSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887648 399124405 /nfs/dbraw/zinc/12/44/05/399124405.db2.gz ANSGZEHWVXQOLS-ZDUSSCGKSA-N 1 2 314.307 2.590 20 30 DFEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)CCc1ccccc1 ZINC000182444654 399144755 /nfs/dbraw/zinc/14/47/55/399144755.db2.gz GHIIBBLZIXBCPZ-IBGZPJMESA-N 1 2 309.413 2.791 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)CCc1ccccc1 ZINC000182444654 399144760 /nfs/dbraw/zinc/14/47/60/399144760.db2.gz GHIIBBLZIXBCPZ-IBGZPJMESA-N 1 2 309.413 2.791 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596054109 399156346 /nfs/dbraw/zinc/15/63/46/399156346.db2.gz LPLXVNVQYWWPMM-GOSISDBHSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596054109 399156348 /nfs/dbraw/zinc/15/63/48/399156348.db2.gz LPLXVNVQYWWPMM-GOSISDBHSA-N 1 2 322.412 2.575 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000596070098 399162293 /nfs/dbraw/zinc/16/22/93/399162293.db2.gz MWTZYVUJPACGBP-ZBFHGGJFSA-N 1 2 305.385 2.893 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000596070097 399162297 /nfs/dbraw/zinc/16/22/97/399162297.db2.gz MWTZYVUJPACGBP-HOCLYGCPSA-N 1 2 305.385 2.893 20 30 DFEDLO CC[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)cc1 ZINC000618572689 399164627 /nfs/dbraw/zinc/16/46/27/399164627.db2.gz BWINRVSHGNKBJR-KRWDZBQOSA-N 1 2 310.401 2.945 20 30 DFEDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159991 399165980 /nfs/dbraw/zinc/16/59/80/399165980.db2.gz LBOHGUOWYMTRED-UHFFFAOYSA-N 1 2 313.445 2.788 20 30 DFEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167611 399167933 /nfs/dbraw/zinc/16/79/33/399167933.db2.gz YZEDPYAADJXGPY-AWEZNQCLSA-N 1 2 322.474 2.743 20 30 DFEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167611 399167936 /nfs/dbraw/zinc/16/79/36/399167936.db2.gz YZEDPYAADJXGPY-AWEZNQCLSA-N 1 2 322.474 2.743 20 30 DFEDLO Cc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)ccc1C#N ZINC000618591468 399173506 /nfs/dbraw/zinc/17/35/06/399173506.db2.gz GFAPIXMUMXDHSM-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000618592839 399174441 /nfs/dbraw/zinc/17/44/41/399174441.db2.gz OPWULEWPTAAAMY-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO CCOC(=O)[C@@]1([NH2+]CCCSCC#N)CCc2ccccc21 ZINC000080737786 399175184 /nfs/dbraw/zinc/17/51/84/399175184.db2.gz DUMOKBOFNPJVQH-QGZVFWFLSA-N 1 2 318.442 2.628 20 30 DFEDLO C=CCSCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000194567907 399180643 /nfs/dbraw/zinc/18/06/43/399180643.db2.gz PYVMEDDCJSLTGC-UHFFFAOYSA-N 1 2 316.430 2.591 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000017843314 182087077 /nfs/dbraw/zinc/08/70/77/182087077.db2.gz LBTZXWNMXQPKHQ-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000282945056 217342539 /nfs/dbraw/zinc/34/25/39/217342539.db2.gz KLHLCHMKRJKHFC-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cc(C#N)ccn1)c1ccccc1 ZINC000282945056 217342542 /nfs/dbraw/zinc/34/25/42/217342542.db2.gz KLHLCHMKRJKHFC-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc2cccc(F)c12 ZINC000563809417 335023585 /nfs/dbraw/zinc/02/35/85/335023585.db2.gz QWQMGVUHBYCUBP-MRXNPFEDSA-N 1 2 319.405 2.923 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000192219572 335023737 /nfs/dbraw/zinc/02/37/37/335023737.db2.gz LZBXCYFKIZGFCQ-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000192219572 335023739 /nfs/dbraw/zinc/02/37/39/335023739.db2.gz LZBXCYFKIZGFCQ-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000267376238 206021391 /nfs/dbraw/zinc/02/13/91/206021391.db2.gz ZETQQAUWZSNJEG-UHFFFAOYSA-N 1 2 310.151 2.547 20 30 DFEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000267376238 206021394 /nfs/dbraw/zinc/02/13/94/206021394.db2.gz ZETQQAUWZSNJEG-UHFFFAOYSA-N 1 2 310.151 2.547 20 30 DFEDLO Cc1cc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)c[nH+]1 ZINC000618762548 399231862 /nfs/dbraw/zinc/23/18/62/399231862.db2.gz CSEVFPZTOIHMKH-INIZCTEOSA-N 1 2 306.369 2.801 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000064795700 399231961 /nfs/dbraw/zinc/23/19/61/399231961.db2.gz VKSBCFIZWBYHBD-CVEARBPZSA-N 1 2 301.434 2.904 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000064795700 399231965 /nfs/dbraw/zinc/23/19/65/399231965.db2.gz VKSBCFIZWBYHBD-CVEARBPZSA-N 1 2 301.434 2.904 20 30 DFEDLO C=CCOCCCC(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000608139745 399237937 /nfs/dbraw/zinc/23/79/37/399237937.db2.gz KOWDOMZFITZLJO-UHFFFAOYSA-N 1 2 315.417 2.698 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(C(=O)OCC)no1 ZINC000601161562 399244832 /nfs/dbraw/zinc/24/48/32/399244832.db2.gz NRSKUDUZZGSFCM-UHFFFAOYSA-N 1 2 316.357 2.706 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286286195 335031416 /nfs/dbraw/zinc/03/14/16/335031416.db2.gz UWKJSGIZJFAFIB-UHFFFAOYSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286286195 335031418 /nfs/dbraw/zinc/03/14/18/335031418.db2.gz UWKJSGIZJFAFIB-UHFFFAOYSA-N 1 2 309.753 2.530 20 30 DFEDLO N#Cc1cc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC000614777037 399267323 /nfs/dbraw/zinc/26/73/23/399267323.db2.gz GLTIGJKTIZSRCL-KRWDZBQOSA-N 1 2 307.401 2.892 20 30 DFEDLO C[C@H](c1ncc(-c2ccccc2)n1C)[NH+]1CCN(CCC#N)CC1 ZINC000601316956 399276333 /nfs/dbraw/zinc/27/63/33/399276333.db2.gz SEQULXAKXCOLAB-MRXNPFEDSA-N 1 2 323.444 2.679 20 30 DFEDLO N#CC1(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCSCC1 ZINC000601371628 399282706 /nfs/dbraw/zinc/28/27/06/399282706.db2.gz JVTDLCIMKJZUAI-UHFFFAOYSA-N 1 2 312.398 2.596 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000609139376 399305202 /nfs/dbraw/zinc/30/52/02/399305202.db2.gz SLJOXDNKXVUIFQ-PBHICJAKSA-N 1 2 323.400 2.862 20 30 DFEDLO C[C@@H](CN(C)c1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000608974263 399302369 /nfs/dbraw/zinc/30/23/69/399302369.db2.gz NGRUAVPREGHVLV-AWEZNQCLSA-N 1 2 320.400 2.980 20 30 DFEDLO Cc1csc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)n1 ZINC000609039165 399303101 /nfs/dbraw/zinc/30/31/01/399303101.db2.gz RKAXNCRHWJTFFU-SNVBAGLBSA-N 1 2 313.390 2.678 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000609539089 399322043 /nfs/dbraw/zinc/32/20/43/399322043.db2.gz RTZJKPJRIFOVIY-IBGZPJMESA-N 1 2 323.444 2.538 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000609538357 399322213 /nfs/dbraw/zinc/32/22/13/399322213.db2.gz KIACIASTCJIQLI-MRXNPFEDSA-N 1 2 321.852 2.885 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H]1c1ccccc1 ZINC000609585640 399325340 /nfs/dbraw/zinc/32/53/40/399325340.db2.gz MOCQKXQIVOBQRN-HNNXBMFYSA-N 1 2 304.357 2.691 20 30 DFEDLO CC[C@@H](c1ccncc1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609964306 399337220 /nfs/dbraw/zinc/33/72/20/399337220.db2.gz PUKHYYALXYWNPS-HNNXBMFYSA-N 1 2 321.388 2.722 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000610016311 399339385 /nfs/dbraw/zinc/33/93/85/399339385.db2.gz NZFKBOGZUDAPIX-ZDUSSCGKSA-N 1 2 323.400 2.658 20 30 DFEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1C#N ZINC000601813203 399341245 /nfs/dbraw/zinc/34/12/45/399341245.db2.gz FFINKDIMFPKBNQ-SJORKVTESA-N 1 2 308.385 2.696 20 30 DFEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@H]1C#N ZINC000601813202 399341458 /nfs/dbraw/zinc/34/14/58/399341458.db2.gz FFINKDIMFPKBNQ-IRXDYDNUSA-N 1 2 308.385 2.696 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601823478 399343719 /nfs/dbraw/zinc/34/37/19/399343719.db2.gz XABJWBFEZIQJBZ-GOEBONIOSA-N 1 2 310.401 2.886 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000610342553 399358436 /nfs/dbraw/zinc/35/84/36/399358436.db2.gz FFAYKTIJMKMOEL-RISCZKNCSA-N 1 2 323.343 2.675 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CSCc1cccc2cccnc21 ZINC000601964495 399370636 /nfs/dbraw/zinc/37/06/36/399370636.db2.gz PBAHOAZOCGNLNH-MRXNPFEDSA-N 1 2 315.442 2.674 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSCc1cccc2cccnc21 ZINC000601964495 399370638 /nfs/dbraw/zinc/37/06/38/399370638.db2.gz PBAHOAZOCGNLNH-MRXNPFEDSA-N 1 2 315.442 2.674 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505675 399375259 /nfs/dbraw/zinc/37/52/59/399375259.db2.gz RICUMYAXYUUSAR-CZUORRHYSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505675 399375261 /nfs/dbraw/zinc/37/52/61/399375261.db2.gz RICUMYAXYUUSAR-CZUORRHYSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@H](CN(C)c1[nH+]cnc2c1cnn2CCC#N)C(C)(C)C ZINC000601980746 399373635 /nfs/dbraw/zinc/37/36/35/399373635.db2.gz ODWPBFWQJNZYFO-GFCCVEGCSA-N 1 2 300.410 2.858 20 30 DFEDLO Cc1cnc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000610542239 399379178 /nfs/dbraw/zinc/37/91/78/399379178.db2.gz HGAUVCFSSOCPHX-SNVBAGLBSA-N 1 2 313.390 2.678 20 30 DFEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000610543018 399379531 /nfs/dbraw/zinc/37/95/31/399379531.db2.gz NNMAFUGNNRSWQI-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000610543018 399379533 /nfs/dbraw/zinc/37/95/33/399379533.db2.gz NNMAFUGNNRSWQI-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000619718273 399382244 /nfs/dbraw/zinc/38/22/44/399382244.db2.gz DVXRQYWCSZYCEH-XJKSGUPXSA-N 1 2 322.836 2.746 20 30 DFEDLO CCc1nnc(NCc2ccn3cc[nH+]c3c2)c(C#N)c1CC ZINC000268559797 206800103 /nfs/dbraw/zinc/80/01/03/206800103.db2.gz OHGBXXFORYTOKB-UHFFFAOYSA-N 1 2 306.373 2.733 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)cc1 ZINC000602051693 399389725 /nfs/dbraw/zinc/38/97/25/399389725.db2.gz HHPQGUNMVHTUAR-HZPDHXFCSA-N 1 2 306.369 2.576 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)cc1 ZINC000602051693 399389729 /nfs/dbraw/zinc/38/97/29/399389729.db2.gz HHPQGUNMVHTUAR-HZPDHXFCSA-N 1 2 306.369 2.576 20 30 DFEDLO Cc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)n(CCC#N)n1 ZINC000602077769 399392445 /nfs/dbraw/zinc/39/24/45/399392445.db2.gz GGLAANNHWQQCCJ-AWEZNQCLSA-N 1 2 314.393 2.528 20 30 DFEDLO N#CC1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000602086239 399393179 /nfs/dbraw/zinc/39/31/79/399393179.db2.gz NQWPODUPWRIUSC-NSHDSACASA-N 1 2 314.311 2.719 20 30 DFEDLO CC(C)C[C@@H](C(=O)N1CCc2ccc(C#N)cc21)n1cc[nH+]c1 ZINC000602128023 399398617 /nfs/dbraw/zinc/39/86/17/399398617.db2.gz YIEDNPIJFAXQNK-KRWDZBQOSA-N 1 2 308.385 2.931 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729940 399399016 /nfs/dbraw/zinc/39/90/16/399399016.db2.gz PZTLIANWYPPRIH-MNOVXSKESA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729940 399399019 /nfs/dbraw/zinc/39/90/19/399399019.db2.gz PZTLIANWYPPRIH-MNOVXSKESA-N 1 2 317.216 2.967 20 30 DFEDLO CCc1c[nH]c(CC(=O)Nc2cc(C#N)ccc2NC2CC2)[nH+]1 ZINC000602147957 399401367 /nfs/dbraw/zinc/40/13/67/399401367.db2.gz HGBNPJQKTKAMNS-UHFFFAOYSA-N 1 2 309.373 2.599 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610905599 399416868 /nfs/dbraw/zinc/41/68/68/399416868.db2.gz NCFRWGXSOUBKLB-OAHLLOKOSA-N 1 2 309.373 2.932 20 30 DFEDLO N#CCCN(Cc1ccco1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610876782 399414985 /nfs/dbraw/zinc/41/49/85/399414985.db2.gz VKPKVDGNLORERO-UHFFFAOYSA-N 1 2 309.329 2.875 20 30 DFEDLO N#CCCC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000602317353 399423686 /nfs/dbraw/zinc/42/36/86/399423686.db2.gz GKLLNRMPSBPMSU-NVXWUHKLSA-N 1 2 323.400 2.542 20 30 DFEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000610993429 399426246 /nfs/dbraw/zinc/42/62/46/399426246.db2.gz RFOASPAOMOVUPT-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000610993429 399426248 /nfs/dbraw/zinc/42/62/48/399426248.db2.gz RFOASPAOMOVUPT-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000611121583 399436286 /nfs/dbraw/zinc/43/62/86/399436286.db2.gz XTRYYPQDMWISJP-BBRMVZONSA-N 1 2 323.400 2.552 20 30 DFEDLO CC(C)CSCCCNc1[nH+]cnc2c1cnn2CCC#N ZINC000611116406 399435040 /nfs/dbraw/zinc/43/50/40/399435040.db2.gz JIZGWTIDRWVYOD-UHFFFAOYSA-N 1 2 318.450 2.931 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179832 399443079 /nfs/dbraw/zinc/44/30/79/399443079.db2.gz KZNXDHKSCPJESE-ONGXEEELSA-N 1 2 311.332 2.682 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179832 399443083 /nfs/dbraw/zinc/44/30/83/399443083.db2.gz KZNXDHKSCPJESE-ONGXEEELSA-N 1 2 311.332 2.682 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602436090 399443441 /nfs/dbraw/zinc/44/34/41/399443441.db2.gz WQBLJFXMVSPWMX-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602436090 399443442 /nfs/dbraw/zinc/44/34/42/399443442.db2.gz WQBLJFXMVSPWMX-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000611175537 399441454 /nfs/dbraw/zinc/44/14/54/399441454.db2.gz HLXOBBPTSVMCSJ-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO CCOc1ccccc1N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602427791 399441559 /nfs/dbraw/zinc/44/15/59/399441559.db2.gz BNJRBWPMFLSMPY-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000611177034 399442040 /nfs/dbraw/zinc/44/20/40/399442040.db2.gz BSQRLVITRFIJSB-GFCCVEGCSA-N 1 2 322.290 2.992 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000611177034 399442043 /nfs/dbraw/zinc/44/20/43/399442043.db2.gz BSQRLVITRFIJSB-GFCCVEGCSA-N 1 2 322.290 2.992 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616302767 399447441 /nfs/dbraw/zinc/44/74/41/399447441.db2.gz KKXOIFHNRJFJGK-CVEARBPZSA-N 1 2 309.413 2.818 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616302767 399447442 /nfs/dbraw/zinc/44/74/42/399447442.db2.gz KKXOIFHNRJFJGK-CVEARBPZSA-N 1 2 309.413 2.818 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](C)CCC#N ZINC000602472316 399454239 /nfs/dbraw/zinc/45/42/39/399454239.db2.gz DWMUJATZFUZGFR-LBPRGKRZSA-N 1 2 310.344 2.880 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](C)CCC#N ZINC000602472316 399454241 /nfs/dbraw/zinc/45/42/41/399454241.db2.gz DWMUJATZFUZGFR-LBPRGKRZSA-N 1 2 310.344 2.880 20 30 DFEDLO C#CCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000063589853 184285472 /nfs/dbraw/zinc/28/54/72/184285472.db2.gz YJVIGJBIIKMLCP-UHFFFAOYSA-N 1 2 317.742 2.899 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCO[C@H](C)C2)c1C#N ZINC000611346955 399465074 /nfs/dbraw/zinc/46/50/74/399465074.db2.gz TXGPXDUOPYXOPK-CQSZACIVSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCO[C@H](C)C2)c1C#N ZINC000611346955 399465077 /nfs/dbraw/zinc/46/50/77/399465077.db2.gz TXGPXDUOPYXOPK-CQSZACIVSA-N 1 2 310.401 2.663 20 30 DFEDLO C=C(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000287689368 335046442 /nfs/dbraw/zinc/04/64/42/335046442.db2.gz IMVXGCLHVHYSOF-KRWDZBQOSA-N 1 2 322.412 2.673 20 30 DFEDLO COC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)c(F)c1 ZINC000602582794 399482100 /nfs/dbraw/zinc/48/21/00/399482100.db2.gz OJRRBTUCMUGKJU-MRXNPFEDSA-N 1 2 303.312 2.709 20 30 DFEDLO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1F ZINC000611502120 399483118 /nfs/dbraw/zinc/48/31/18/399483118.db2.gz NQRRRAGWGXLXLC-ZBFHGGJFSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1F ZINC000611502120 399483120 /nfs/dbraw/zinc/48/31/20/399483120.db2.gz NQRRRAGWGXLXLC-ZBFHGGJFSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000611516980 399486608 /nfs/dbraw/zinc/48/66/08/399486608.db2.gz PNNUZXVLERHAHJ-XOKHGSTOSA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000611516980 399486611 /nfs/dbraw/zinc/48/66/11/399486611.db2.gz PNNUZXVLERHAHJ-XOKHGSTOSA-N 1 2 315.392 2.734 20 30 DFEDLO COc1cc(C[NH2+]C[C@H](C)C#N)c(F)cc1Br ZINC000602608053 399489710 /nfs/dbraw/zinc/48/97/10/399489710.db2.gz OLCGNRJQDROARE-MRVPVSSYSA-N 1 2 301.159 2.846 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000602606830 399488937 /nfs/dbraw/zinc/48/89/37/399488937.db2.gz HADCQDKJHBAZOY-SFHVURJKSA-N 1 2 302.418 2.964 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OCCCCO)C1 ZINC000602606830 399488940 /nfs/dbraw/zinc/48/89/40/399488940.db2.gz HADCQDKJHBAZOY-SFHVURJKSA-N 1 2 302.418 2.964 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611555257 399491261 /nfs/dbraw/zinc/49/12/61/399491261.db2.gz TWEDWEQYKXXTSG-YRGRVCCFSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611555257 399491263 /nfs/dbraw/zinc/49/12/63/399491263.db2.gz TWEDWEQYKXXTSG-YRGRVCCFSA-N 1 2 319.371 2.704 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1C#N ZINC000611579102 399496529 /nfs/dbraw/zinc/49/65/29/399496529.db2.gz IMOQZMIDBWFPLH-LBPRGKRZSA-N 1 2 324.327 2.548 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c1C#N ZINC000611579102 399496532 /nfs/dbraw/zinc/49/65/32/399496532.db2.gz IMOQZMIDBWFPLH-LBPRGKRZSA-N 1 2 324.327 2.548 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC(C)(C)C#N ZINC000611622859 399500366 /nfs/dbraw/zinc/50/03/66/399500366.db2.gz QJRJXZCANZTWRT-UHFFFAOYSA-N 1 2 313.405 2.584 20 30 DFEDLO C[C@H]1CC[C@]2(CCN(c3[nH+]cnc4c3cnn4CCC#N)C2)C1 ZINC000611618072 399499535 /nfs/dbraw/zinc/49/95/35/399499535.db2.gz LOTAXERQKVGACQ-GUYCJALGSA-N 1 2 310.405 2.756 20 30 DFEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1C#N ZINC000616754165 399510956 /nfs/dbraw/zinc/51/09/56/399510956.db2.gz AHKRDIRQAASKLH-OAHLLOKOSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1C#N ZINC000616754165 399510961 /nfs/dbraw/zinc/51/09/61/399510961.db2.gz AHKRDIRQAASKLH-OAHLLOKOSA-N 1 2 318.417 2.989 20 30 DFEDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119052979 194964513 /nfs/dbraw/zinc/96/45/13/194964513.db2.gz ZGXQHAMQISSTHM-CQSZACIVSA-N 1 2 316.401 2.743 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@H](COC)C(=O)OCC ZINC000616799210 399514358 /nfs/dbraw/zinc/51/43/58/399514358.db2.gz QDQXKCAGGFXVRO-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](COC)C(=O)OCC ZINC000616799210 399514359 /nfs/dbraw/zinc/51/43/59/399514359.db2.gz QDQXKCAGGFXVRO-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000602672986 399514694 /nfs/dbraw/zinc/51/46/94/399514694.db2.gz UBIILNZOHSDLIB-UHFFFAOYSA-N 1 2 310.401 2.842 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000602672986 399514695 /nfs/dbraw/zinc/51/46/95/399514695.db2.gz UBIILNZOHSDLIB-UHFFFAOYSA-N 1 2 310.401 2.842 20 30 DFEDLO N#CC1(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)CCC1 ZINC000602696094 399524542 /nfs/dbraw/zinc/52/45/42/399524542.db2.gz CQWBTFPOGQURLD-UHFFFAOYSA-N 1 2 307.401 2.928 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000602705672 399530366 /nfs/dbraw/zinc/53/03/66/399530366.db2.gz BNUAFMJQZHDFQE-JSGCOSHPSA-N 1 2 318.421 2.547 20 30 DFEDLO Cc1ccc([C@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000286447409 218994435 /nfs/dbraw/zinc/99/44/35/218994435.db2.gz RFMMACPODXYTKD-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[nH]1 ZINC000158536797 197281407 /nfs/dbraw/zinc/28/14/07/197281407.db2.gz AMGILSRPFHXRNQ-UHFFFAOYSA-N 1 2 323.400 2.592 20 30 DFEDLO C=CCN(CCOC)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624154574 399575729 /nfs/dbraw/zinc/57/57/29/399575729.db2.gz OVZJGEBAXMLCEV-UHFFFAOYSA-N 1 2 310.401 2.636 20 30 DFEDLO C=CCN(C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CC1 ZINC000271347656 208834683 /nfs/dbraw/zinc/83/46/83/208834683.db2.gz CVGCGLLZXNHAEL-UHFFFAOYSA-N 1 2 314.433 2.932 20 30 DFEDLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157252168 197173913 /nfs/dbraw/zinc/17/39/13/197173913.db2.gz PAPZIVQQGCALRO-GFCCVEGCSA-N 1 2 307.419 2.534 20 30 DFEDLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157252168 197173915 /nfs/dbraw/zinc/17/39/15/197173915.db2.gz PAPZIVQQGCALRO-GFCCVEGCSA-N 1 2 307.419 2.534 20 30 DFEDLO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000156769794 197139398 /nfs/dbraw/zinc/13/93/98/197139398.db2.gz JGVVCIMAYSUMHS-HNNXBMFYSA-N 1 2 305.374 2.585 20 30 DFEDLO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000156769794 197139400 /nfs/dbraw/zinc/13/94/00/197139400.db2.gz JGVVCIMAYSUMHS-HNNXBMFYSA-N 1 2 305.374 2.585 20 30 DFEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166815 399596587 /nfs/dbraw/zinc/59/65/87/399596587.db2.gz ZLDZWXQPXXHFFE-BEFAXECRSA-N 1 2 311.429 2.585 20 30 DFEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166815 399596594 /nfs/dbraw/zinc/59/65/94/399596594.db2.gz ZLDZWXQPXXHFFE-BEFAXECRSA-N 1 2 311.429 2.585 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000156399144 197110455 /nfs/dbraw/zinc/11/04/55/197110455.db2.gz WKMNCIJJPPVRTC-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000156192508 197093971 /nfs/dbraw/zinc/09/39/71/197093971.db2.gz CSVKPMNLSNEKTP-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C[C@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602848803 399600351 /nfs/dbraw/zinc/60/03/51/399600351.db2.gz ILPAFDVZQCBCJK-GJZGRUSLSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)N1CC#N ZINC000602851692 399601699 /nfs/dbraw/zinc/60/16/99/399601699.db2.gz WTMZPSPNWIUHBD-VXGBXAGGSA-N 1 2 322.796 2.666 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602854000 399602910 /nfs/dbraw/zinc/60/29/10/399602910.db2.gz NHZZLJSNRVXXCQ-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602854000 399602915 /nfs/dbraw/zinc/60/29/15/399602915.db2.gz NHZZLJSNRVXXCQ-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO C=C(Cl)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155166163 197028641 /nfs/dbraw/zinc/02/86/41/197028641.db2.gz XEJAVRIWQKNXGQ-ZDUSSCGKSA-N 1 2 300.855 2.806 20 30 DFEDLO C=C(Cl)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155166163 197028642 /nfs/dbraw/zinc/02/86/42/197028642.db2.gz XEJAVRIWQKNXGQ-ZDUSSCGKSA-N 1 2 300.855 2.806 20 30 DFEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860702 399605832 /nfs/dbraw/zinc/60/58/32/399605832.db2.gz DOUKQHYEVWPTEN-CABCVRRESA-N 1 2 301.434 2.954 20 30 DFEDLO CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000602859643 399606003 /nfs/dbraw/zinc/60/60/03/399606003.db2.gz DSUGMGJOLWAOLJ-OAHLLOKOSA-N 1 2 314.437 2.626 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)[nH]1 ZINC000602859643 399606007 /nfs/dbraw/zinc/60/60/07/399606007.db2.gz DSUGMGJOLWAOLJ-OAHLLOKOSA-N 1 2 314.437 2.626 20 30 DFEDLO CC(C)c1nc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n[nH]1 ZINC000602859643 399606012 /nfs/dbraw/zinc/60/60/12/399606012.db2.gz DSUGMGJOLWAOLJ-OAHLLOKOSA-N 1 2 314.437 2.626 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000602860139 399606201 /nfs/dbraw/zinc/60/62/01/399606201.db2.gz BMSRPWAALVUASJ-QWRGUYRKSA-N 1 2 311.788 2.718 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000602864098 399607911 /nfs/dbraw/zinc/60/79/11/399607911.db2.gz QRGINEIWMJUHKS-AWEZNQCLSA-N 1 2 317.408 2.645 20 30 DFEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602867437 399608759 /nfs/dbraw/zinc/60/87/59/399608759.db2.gz BXXFKTMOILUQKI-RHSMWYFYSA-N 1 2 315.417 2.641 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868222 399608767 /nfs/dbraw/zinc/60/87/67/399608767.db2.gz IELDSLFZIHFHQA-RKDXNWHRSA-N 1 2 306.366 2.654 20 30 DFEDLO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)CC#N)cs2)cc1 ZINC000602868002 399608841 /nfs/dbraw/zinc/60/88/41/399608841.db2.gz GUWAWAXOWDTKRA-NSHDSACASA-N 1 2 315.398 2.988 20 30 DFEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(F)c1 ZINC000294835827 224253538 /nfs/dbraw/zinc/25/35/38/224253538.db2.gz QKOGKXBAMMCMPM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(F)c1 ZINC000294835827 224253542 /nfs/dbraw/zinc/25/35/42/224253542.db2.gz QKOGKXBAMMCMPM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000620858587 399616998 /nfs/dbraw/zinc/61/69/98/399616998.db2.gz KFFZJZCLTNBARM-KRWDZBQOSA-N 1 2 316.445 2.748 20 30 DFEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000620858587 399617002 /nfs/dbraw/zinc/61/70/02/399617002.db2.gz KFFZJZCLTNBARM-KRWDZBQOSA-N 1 2 316.445 2.748 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC)CC(C)C ZINC000120716931 195222863 /nfs/dbraw/zinc/22/28/63/195222863.db2.gz ADFCQCIJKGGJAZ-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1OC)CC(C)C ZINC000120716931 195222866 /nfs/dbraw/zinc/22/28/66/195222866.db2.gz ADFCQCIJKGGJAZ-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(C4CCC4)no3)CC2)nc1 ZINC000602907766 399622180 /nfs/dbraw/zinc/62/21/80/399622180.db2.gz VSCXHNSJVDVDFX-UHFFFAOYSA-N 1 2 323.400 2.983 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924788 399629584 /nfs/dbraw/zinc/62/95/84/399629584.db2.gz DGBINKSEQAQVAC-JSGCOSHPSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924788 399629580 /nfs/dbraw/zinc/62/95/80/399629580.db2.gz DGBINKSEQAQVAC-JSGCOSHPSA-N 1 2 301.390 2.613 20 30 DFEDLO COCc1ncc2c(n1)CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000602927458 399630575 /nfs/dbraw/zinc/63/05/75/399630575.db2.gz HQFPPKUOQCMNOC-CYBMUJFWSA-N 1 2 308.385 2.614 20 30 DFEDLO COCc1ncc2c(n1)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000602927458 399630577 /nfs/dbraw/zinc/63/05/77/399630577.db2.gz HQFPPKUOQCMNOC-CYBMUJFWSA-N 1 2 308.385 2.614 20 30 DFEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000081731331 542498265 /nfs/dbraw/zinc/49/82/65/542498265.db2.gz QGZHNVPFQCQKSZ-NSHDSACASA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000081731331 542498270 /nfs/dbraw/zinc/49/82/70/542498270.db2.gz QGZHNVPFQCQKSZ-NSHDSACASA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731331 542498275 /nfs/dbraw/zinc/49/82/75/542498275.db2.gz QGZHNVPFQCQKSZ-NSHDSACASA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731331 542498279 /nfs/dbraw/zinc/49/82/79/542498279.db2.gz QGZHNVPFQCQKSZ-NSHDSACASA-N 1 2 321.331 2.822 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069244 399670856 /nfs/dbraw/zinc/67/08/56/399670856.db2.gz CBCOIWJHPBPNGU-SNVBAGLBSA-N 1 2 301.325 2.796 20 30 DFEDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[C@@H]1C#N ZINC000602973886 399644176 /nfs/dbraw/zinc/64/41/76/399644176.db2.gz HCQPHNKRRYRPCB-YVSFHVDLSA-N 1 2 303.450 2.792 20 30 DFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[C@@H]1C#N ZINC000602973886 399644179 /nfs/dbraw/zinc/64/41/79/399644179.db2.gz HCQPHNKRRYRPCB-YVSFHVDLSA-N 1 2 303.450 2.792 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000612405976 399644973 /nfs/dbraw/zinc/64/49/73/399644973.db2.gz FVKFSUWTIRQAJN-GOSISDBHSA-N 1 2 324.384 2.931 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000612405976 399644977 /nfs/dbraw/zinc/64/49/77/399644977.db2.gz FVKFSUWTIRQAJN-GOSISDBHSA-N 1 2 324.384 2.931 20 30 DFEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602976803 399645364 /nfs/dbraw/zinc/64/53/64/399645364.db2.gz SYXNOCNXBFBKBZ-NXHRZFHOSA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602976803 399645366 /nfs/dbraw/zinc/64/53/66/399645366.db2.gz SYXNOCNXBFBKBZ-NXHRZFHOSA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979331 399647937 /nfs/dbraw/zinc/64/79/37/399647937.db2.gz BXUPTGVACTVPAO-CZUORRHYSA-N 1 2 324.421 2.614 20 30 DFEDLO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979331 399647942 /nfs/dbraw/zinc/64/79/42/399647942.db2.gz BXUPTGVACTVPAO-CZUORRHYSA-N 1 2 324.421 2.614 20 30 DFEDLO COc1cc(Br)c(C[NH2+]CC(C)(C)C#N)cc1O ZINC000612585288 399682297 /nfs/dbraw/zinc/68/22/97/399682297.db2.gz VEIAHJMCLWJWFY-UHFFFAOYSA-N 1 2 313.195 2.803 20 30 DFEDLO Cc1cc2[nH+]cn(Cc3cn(CC4(C#N)CC4)nn3)c2cc1C ZINC000603227940 399716509 /nfs/dbraw/zinc/71/65/09/399716509.db2.gz VQLBOYQCMAFPIL-UHFFFAOYSA-N 1 2 306.373 2.597 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927250 542544180 /nfs/dbraw/zinc/54/41/80/542544180.db2.gz CVECJCMKVURGCV-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927250 542544184 /nfs/dbraw/zinc/54/41/84/542544184.db2.gz CVECJCMKVURGCV-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1 ZINC000289671444 335062630 /nfs/dbraw/zinc/06/26/30/335062630.db2.gz NOSPKJCSYPGDIE-XXHMAFKTSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1 ZINC000289671444 335062631 /nfs/dbraw/zinc/06/26/31/335062631.db2.gz NOSPKJCSYPGDIE-XXHMAFKTSA-N 1 2 307.459 2.983 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000121554405 195306137 /nfs/dbraw/zinc/30/61/37/195306137.db2.gz XRNXXDRTHFPCHO-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C#N)c2)c1C ZINC000299447491 533410415 /nfs/dbraw/zinc/41/04/15/533410415.db2.gz NAGMILIXBPSASW-UHFFFAOYSA-N 1 2 309.369 2.851 20 30 DFEDLO C=CCCOCCNc1nc(C)[nH+]c(C)c1Br ZINC000322987525 543091372 /nfs/dbraw/zinc/09/13/72/543091372.db2.gz XRHCUXFTJUPIGM-UHFFFAOYSA-N 1 2 300.200 2.861 20 30 DFEDLO CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000604435132 399846563 /nfs/dbraw/zinc/84/65/63/399846563.db2.gz OGYBBQMMAXURKJ-KRWDZBQOSA-N 1 2 311.360 2.616 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000329296612 543102525 /nfs/dbraw/zinc/10/25/25/543102525.db2.gz SWZOLHMARVVDEB-FPMFFAJLSA-N 1 2 317.393 2.738 20 30 DFEDLO C[C@@H]1C[C@@H]1CNC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329258793 543101945 /nfs/dbraw/zinc/10/19/45/543101945.db2.gz FJGKSEORJGFEHZ-UPJWGTAASA-N 1 2 304.438 2.655 20 30 DFEDLO C[C@@H]1C[C@@H]1C[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329258793 543101949 /nfs/dbraw/zinc/10/19/49/543101949.db2.gz FJGKSEORJGFEHZ-UPJWGTAASA-N 1 2 304.438 2.655 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329575780 543105656 /nfs/dbraw/zinc/10/56/56/543105656.db2.gz JXTTYFSDQPSSAT-LKTVYLICSA-N 1 2 321.783 2.866 20 30 DFEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1sccc1C#N ZINC000604525341 399852209 /nfs/dbraw/zinc/85/22/09/399852209.db2.gz QMORLEYLIQRYMF-UHFFFAOYSA-N 1 2 305.325 2.833 20 30 DFEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1sccc1C#N ZINC000604525341 399852213 /nfs/dbraw/zinc/85/22/13/399852213.db2.gz QMORLEYLIQRYMF-UHFFFAOYSA-N 1 2 305.325 2.833 20 30 DFEDLO C[C@@H](Cc1ccsc1)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558550 399856422 /nfs/dbraw/zinc/85/64/22/399856422.db2.gz JHWUAFYMRSHUCZ-NSHDSACASA-N 1 2 312.402 2.845 20 30 DFEDLO COc1cc(CNc2[nH+]cnc3c2cnn3CCC#N)ccc1C ZINC000604558985 399856426 /nfs/dbraw/zinc/85/64/26/399856426.db2.gz YBMKCCVKQJXACD-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO CN(Cc1cccc(F)c1)c1[nH+]cnc2c1cnn2CCC#N ZINC000604559200 399856483 /nfs/dbraw/zinc/85/64/83/399856483.db2.gz FRPNXPCPNOYSRJ-UHFFFAOYSA-N 1 2 310.336 2.515 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000350405932 543205202 /nfs/dbraw/zinc/20/52/02/543205202.db2.gz UHNMYQCNPODHIJ-ILXRZTDVSA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000350405932 543205204 /nfs/dbraw/zinc/20/52/04/543205204.db2.gz UHNMYQCNPODHIJ-ILXRZTDVSA-N 1 2 321.421 2.519 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000052835108 425885827 /nfs/dbraw/zinc/88/58/27/425885827.db2.gz FHQRHQSWVDLMGX-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000052835108 425885828 /nfs/dbraw/zinc/88/58/28/425885828.db2.gz FHQRHQSWVDLMGX-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO C=C1CC(C)(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000630683153 399915762 /nfs/dbraw/zinc/91/57/62/399915762.db2.gz GDDXKVDYNHAPOA-QGZVFWFLSA-N 1 2 314.429 2.532 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897747 399959105 /nfs/dbraw/zinc/95/91/05/399959105.db2.gz JXNOCDGJXMFDSJ-UHFFFAOYSA-N 1 2 302.418 2.639 20 30 DFEDLO N#Cc1cscc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000354375315 147012114 /nfs/dbraw/zinc/01/21/14/147012114.db2.gz HLWRZWLWURKXAT-UHFFFAOYSA-N 1 2 309.354 2.512 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cncc(F)c1 ZINC000361135330 149036552 /nfs/dbraw/zinc/03/65/52/149036552.db2.gz LUZJUFAYHUOQKQ-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO Cn1cc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1C#N ZINC000361493043 149129472 /nfs/dbraw/zinc/12/94/72/149129472.db2.gz PBUCZZMEMCPIQM-YVMONPNESA-N 1 2 320.440 2.728 20 30 DFEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000361838559 149234201 /nfs/dbraw/zinc/23/42/01/149234201.db2.gz CBFJNBBVMYONCN-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000361838559 149234202 /nfs/dbraw/zinc/23/42/02/149234202.db2.gz CBFJNBBVMYONCN-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccn1 ZINC000372313034 150162921 /nfs/dbraw/zinc/16/29/21/150162921.db2.gz GXSVBCSRJQQPKU-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccn1 ZINC000372313034 150162926 /nfs/dbraw/zinc/16/29/26/150162926.db2.gz GXSVBCSRJQQPKU-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000372997034 150214171 /nfs/dbraw/zinc/21/41/71/150214171.db2.gz MUJYMNQBBXCOQB-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000373043417 150222155 /nfs/dbraw/zinc/22/21/55/150222155.db2.gz MNNLIVXCHCKQIW-QGZVFWFLSA-N 1 2 322.412 2.631 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248545129 158182316 /nfs/dbraw/zinc/18/23/16/158182316.db2.gz DYSAVGGEZBZROV-HUUCEWRRSA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248545129 158182317 /nfs/dbraw/zinc/18/23/17/158182317.db2.gz DYSAVGGEZBZROV-HUUCEWRRSA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248545128 158182471 /nfs/dbraw/zinc/18/24/71/158182471.db2.gz DYSAVGGEZBZROV-CABCVRRESA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248545128 158182472 /nfs/dbraw/zinc/18/24/72/158182472.db2.gz DYSAVGGEZBZROV-CABCVRRESA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1c(NCCc2[nH]c3ccc(F)cc3[nH+]2)nc2ccccn21 ZINC000302189586 158220446 /nfs/dbraw/zinc/22/04/46/158220446.db2.gz QQJKUPFWIHKJTB-UHFFFAOYSA-N 1 2 320.331 2.876 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc([S@](C)=O)cc1 ZINC000131739470 196195427 /nfs/dbraw/zinc/19/54/27/196195427.db2.gz HTJQGCGPWBNDPE-HXUWFJFHSA-N 1 2 304.440 2.989 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc([S@](C)=O)cc1 ZINC000131739470 196195429 /nfs/dbraw/zinc/19/54/29/196195429.db2.gz HTJQGCGPWBNDPE-HXUWFJFHSA-N 1 2 304.440 2.989 20 30 DFEDLO C=CCN(C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H](C)COC ZINC000668168093 543756852 /nfs/dbraw/zinc/75/68/52/543756852.db2.gz NDGJZRCRDRRVEP-ZDUSSCGKSA-N 1 2 302.378 2.698 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155800 544124598 /nfs/dbraw/zinc/12/45/98/544124598.db2.gz FUDBCHJRLCJNSG-CYBMUJFWSA-N 1 2 313.426 2.906 20 30 DFEDLO C=CC[N@@H+](CCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000291394711 335082032 /nfs/dbraw/zinc/08/20/32/335082032.db2.gz DAXXFNQLNIQLAX-HNNXBMFYSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](CCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000291394711 335082033 /nfs/dbraw/zinc/08/20/33/335082033.db2.gz DAXXFNQLNIQLAX-HNNXBMFYSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000673933783 544209101 /nfs/dbraw/zinc/20/91/01/544209101.db2.gz CEAZAGMXXNQKEJ-HNNXBMFYSA-N 1 2 320.408 2.624 20 30 DFEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC#CCOC)CC1 ZINC000677820407 544547069 /nfs/dbraw/zinc/54/70/69/544547069.db2.gz MFTAZRVMIHXKFE-GOSISDBHSA-N 1 2 322.399 2.683 20 30 DFEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CC#CCOC)CC1 ZINC000677820407 544547075 /nfs/dbraw/zinc/54/70/75/544547075.db2.gz MFTAZRVMIHXKFE-GOSISDBHSA-N 1 2 322.399 2.683 20 30 DFEDLO C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000287928603 287606007 /nfs/dbraw/zinc/60/60/07/287606007.db2.gz QQZRHZYAFMZVGK-ZJUUUORDSA-N 1 2 307.810 2.952 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907770 425897397 /nfs/dbraw/zinc/89/73/97/425897397.db2.gz TXOVCJZDSPLIMG-NSHDSACASA-N 1 2 321.808 2.911 20 30 DFEDLO N#Cc1cncc(NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000420600764 270000605 /nfs/dbraw/zinc/00/06/05/270000605.db2.gz MQJHTEJUWWTIBZ-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346875357 269998586 /nfs/dbraw/zinc/99/85/86/269998586.db2.gz BIGXZZVEWUVMPU-ZBFHGGJFSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346875357 269998587 /nfs/dbraw/zinc/99/85/87/269998587.db2.gz BIGXZZVEWUVMPU-ZBFHGGJFSA-N 1 2 324.384 2.843 20 30 DFEDLO COc1ccnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000424312119 270000861 /nfs/dbraw/zinc/00/08/61/270000861.db2.gz WAQYZSMCLDLBCQ-MRXNPFEDSA-N 1 2 308.385 2.914 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452330692 270001631 /nfs/dbraw/zinc/00/16/31/270001631.db2.gz HIDSGKJDVNFQNW-UHFFFAOYSA-N 1 2 300.749 2.997 20 30 DFEDLO Cc1cccn2c(CN3CC(Oc4ccc(C#N)cc4)C3)c[nH+]c12 ZINC000459604664 270002020 /nfs/dbraw/zinc/00/20/20/270002020.db2.gz CDSMBNGUSMHCLQ-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c(C#N)c1C ZINC000533475713 270002825 /nfs/dbraw/zinc/00/28/25/270002825.db2.gz LCSLRUUADCIMDK-UHFFFAOYSA-N 1 2 319.405 2.596 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000533484211 270002915 /nfs/dbraw/zinc/00/29/15/270002915.db2.gz PKBSKEJGMAAQEY-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000533484211 270002916 /nfs/dbraw/zinc/00/29/16/270002916.db2.gz PKBSKEJGMAAQEY-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#CC[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CCCC1 ZINC000156613712 425934201 /nfs/dbraw/zinc/93/42/01/425934201.db2.gz BAJLNFNKGXENPB-UHFFFAOYSA-N 1 2 317.458 2.791 20 30 DFEDLO N#CC[N@H+](CCC(=O)N1CCc2sccc2C1)C1CCCC1 ZINC000156613712 425934204 /nfs/dbraw/zinc/93/42/04/425934204.db2.gz BAJLNFNKGXENPB-UHFFFAOYSA-N 1 2 317.458 2.791 20 30 DFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000157204560 425936766 /nfs/dbraw/zinc/93/67/66/425936766.db2.gz AHSNPADJXBDFFF-UHFFFAOYSA-N 1 2 322.412 2.593 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000496920884 266867551 /nfs/dbraw/zinc/86/75/51/266867551.db2.gz MZZQAHLFDMFRTO-CYBMUJFWSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000496920884 266867559 /nfs/dbraw/zinc/86/75/59/266867559.db2.gz MZZQAHLFDMFRTO-CYBMUJFWSA-N 1 2 319.380 2.796 20 30 DFEDLO COc1cccc(C(F)(F)C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000353100449 266882101 /nfs/dbraw/zinc/88/21/01/266882101.db2.gz LYCZXCSZITVZSW-UHFFFAOYSA-N 1 2 303.312 2.843 20 30 DFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000497257641 267023915 /nfs/dbraw/zinc/02/39/15/267023915.db2.gz QBPHMYLKOMOKBQ-ZDUSSCGKSA-N 1 2 322.434 2.505 20 30 DFEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000497257641 267023916 /nfs/dbraw/zinc/02/39/16/267023916.db2.gz QBPHMYLKOMOKBQ-ZDUSSCGKSA-N 1 2 322.434 2.505 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428245858 267056131 /nfs/dbraw/zinc/05/61/31/267056131.db2.gz KHVPIUPMNMPNLN-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428245858 267056133 /nfs/dbraw/zinc/05/61/33/267056133.db2.gz KHVPIUPMNMPNLN-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287218 267103558 /nfs/dbraw/zinc/10/35/58/267103558.db2.gz UAVZFPPMTCUONI-MFKMUULPSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287218 267103560 /nfs/dbraw/zinc/10/35/60/267103560.db2.gz UAVZFPPMTCUONI-MFKMUULPSA-N 1 2 311.307 2.769 20 30 DFEDLO CCO[C@@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C ZINC000451539381 267147971 /nfs/dbraw/zinc/14/79/71/267147971.db2.gz KCJKLKJGNYJNNF-XKQJLSEDSA-N 1 2 316.401 2.519 20 30 DFEDLO CCO[C@@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C ZINC000451539381 267147972 /nfs/dbraw/zinc/14/79/72/267147972.db2.gz KCJKLKJGNYJNNF-XKQJLSEDSA-N 1 2 316.401 2.519 20 30 DFEDLO CC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1[nH]cc[nH+]1 ZINC000447527082 267220885 /nfs/dbraw/zinc/22/08/85/267220885.db2.gz DXKVXVIFDJHTBU-ZDUSSCGKSA-N 1 2 321.340 2.817 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000493417854 267258116 /nfs/dbraw/zinc/25/81/16/267258116.db2.gz JWEPPDBNSBARMS-SREVYHEPSA-N 1 2 323.400 2.801 20 30 DFEDLO C[NH+](C)[C@@H](C(=O)Nc1cc(C#N)ccn1)c1cccc(Cl)c1 ZINC000436021546 267286268 /nfs/dbraw/zinc/28/62/68/267286268.db2.gz VPHQSEGANHBESA-OAHLLOKOSA-N 1 2 314.776 2.848 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000350158053 267287119 /nfs/dbraw/zinc/28/71/19/267287119.db2.gz OLOZUABHOPERID-HNNXBMFYSA-N 1 2 309.373 2.873 20 30 DFEDLO COC(=O)C1(C)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000425371544 267356187 /nfs/dbraw/zinc/35/61/87/267356187.db2.gz HBMAXKGQDZLOAM-UHFFFAOYSA-N 1 2 312.291 2.572 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(C#N)c1 ZINC000008135025 425661561 /nfs/dbraw/zinc/66/15/61/425661561.db2.gz XZQWIZJMBWLUGR-UHFFFAOYSA-N 1 2 304.353 2.646 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000514995433 267776587 /nfs/dbraw/zinc/77/65/87/267776587.db2.gz NXHGOPGQBRQTNG-LDYMZIIASA-N 1 2 316.752 2.631 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346303 425812172 /nfs/dbraw/zinc/81/21/72/425812172.db2.gz HKOSHWWVXSNTEV-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346303 425812175 /nfs/dbraw/zinc/81/21/75/425812175.db2.gz HKOSHWWVXSNTEV-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000030587474 425832204 /nfs/dbraw/zinc/83/22/04/425832204.db2.gz GAXDCOUODSJFAJ-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2n1C ZINC000527484423 268078813 /nfs/dbraw/zinc/07/88/13/268078813.db2.gz UGCASJIXZAGSKQ-UHFFFAOYSA-N 1 2 306.325 2.711 20 30 DFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000348275251 268088410 /nfs/dbraw/zinc/08/84/10/268088410.db2.gz JDTMVNJMFROJME-HNNXBMFYSA-N 1 2 315.336 2.527 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC(C)=C[C@@H](C)C2)c(C#N)c1C ZINC000430286104 268104354 /nfs/dbraw/zinc/10/43/54/268104354.db2.gz WMVNCMSTXRAIEN-ZWNOBZJWSA-N 1 2 301.390 2.993 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC(C)=C[C@@H](C)C2)c(C#N)c1C ZINC000430286104 268104356 /nfs/dbraw/zinc/10/43/56/268104356.db2.gz WMVNCMSTXRAIEN-ZWNOBZJWSA-N 1 2 301.390 2.993 20 30 DFEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc1 ZINC000349901956 268127739 /nfs/dbraw/zinc/12/77/39/268127739.db2.gz FMRUEDHXDYYWNF-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO N#Cc1ccc(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173465980 268141899 /nfs/dbraw/zinc/14/18/99/268141899.db2.gz FLTYSNYIGNACHG-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000339182026 268153670 /nfs/dbraw/zinc/15/36/70/268153670.db2.gz HZLJIKCPQMWYSG-UHFFFAOYSA-N 1 2 317.352 2.795 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1F ZINC000352886750 268247743 /nfs/dbraw/zinc/24/77/43/268247743.db2.gz RAJIKNVTOVQHRB-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411968360 268287737 /nfs/dbraw/zinc/28/77/37/268287737.db2.gz GFYNXOOUFSVXNO-YESZJQIVSA-N 1 2 320.396 2.791 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000459486404 268291332 /nfs/dbraw/zinc/29/13/32/268291332.db2.gz PSRHHJCGJHARTG-SNVBAGLBSA-N 1 2 311.288 2.528 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000459486404 268291335 /nfs/dbraw/zinc/29/13/35/268291335.db2.gz PSRHHJCGJHARTG-SNVBAGLBSA-N 1 2 311.288 2.528 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C/c2cccc(C#N)c2)CC1(C)C ZINC000296347840 268303499 /nfs/dbraw/zinc/30/34/99/268303499.db2.gz UBRHHGXOABFZQQ-IWAYRVGRSA-N 1 2 320.396 2.915 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)s1 ZINC000314909576 268342622 /nfs/dbraw/zinc/34/26/22/268342622.db2.gz GHRADVYBYDOHTQ-SNVBAGLBSA-N 1 2 301.371 2.652 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C[C@@H](C)C#N ZINC000049982514 425881085 /nfs/dbraw/zinc/88/10/85/425881085.db2.gz JWMFVUZZYGEMJV-STQMWFEESA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C[C@@H](C)C#N ZINC000049982514 425881086 /nfs/dbraw/zinc/88/10/86/425881086.db2.gz JWMFVUZZYGEMJV-STQMWFEESA-N 1 2 307.825 2.999 20 30 DFEDLO Cc1ccc([C@@H](CNc2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000071968875 426006157 /nfs/dbraw/zinc/00/61/57/426006157.db2.gz JCWLYGGQYFPJQN-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158008286 425940394 /nfs/dbraw/zinc/94/03/94/425940394.db2.gz YPGGADDAVLVVOX-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158008286 425940397 /nfs/dbraw/zinc/94/03/97/425940397.db2.gz YPGGADDAVLVVOX-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO Cc1nnc(NCCc2[nH+]c3ccc(F)cc3n2C)c(C#N)c1C ZINC000071920528 426004439 /nfs/dbraw/zinc/00/44/39/426004439.db2.gz BOSIULACGSNRHH-UHFFFAOYSA-N 1 2 324.363 2.646 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000158260912 425941437 /nfs/dbraw/zinc/94/14/37/425941437.db2.gz ISTIOHSEAODTCR-KURKYZTESA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000158260912 425941439 /nfs/dbraw/zinc/94/14/39/425941439.db2.gz ISTIOHSEAODTCR-KURKYZTESA-N 1 2 319.832 2.960 20 30 DFEDLO Cc1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000336854162 268441557 /nfs/dbraw/zinc/44/15/57/268441557.db2.gz DDYMQOHTNPWTED-UHFFFAOYSA-N 1 2 312.442 2.954 20 30 DFEDLO CC(C)C(=O)N1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000069609022 425949658 /nfs/dbraw/zinc/94/96/58/425949658.db2.gz DFJQUTSABPJXCC-UHFFFAOYSA-N 1 2 324.428 2.501 20 30 DFEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000069609022 425949661 /nfs/dbraw/zinc/94/96/61/425949661.db2.gz DFJQUTSABPJXCC-UHFFFAOYSA-N 1 2 324.428 2.501 20 30 DFEDLO Cc1ccc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000158902613 425949773 /nfs/dbraw/zinc/94/97/73/425949773.db2.gz WLOYJCPLGGOYBO-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000158902613 425949776 /nfs/dbraw/zinc/94/97/76/425949776.db2.gz WLOYJCPLGGOYBO-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO C[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000126591843 426027616 /nfs/dbraw/zinc/02/76/16/426027616.db2.gz DAOAEWOBPBSWTM-HLJKATFASA-N 1 2 320.396 2.878 20 30 DFEDLO Cc1nc(C2([NH2+]CCOc3ccccc3C#N)CCCC2)no1 ZINC000161612873 426032300 /nfs/dbraw/zinc/03/23/00/426032300.db2.gz XYSXBCREMROGAW-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCc1ccccc1 ZINC000072692915 426019562 /nfs/dbraw/zinc/01/95/62/426019562.db2.gz GMAGBLYMGKJVHV-UHFFFAOYSA-N 1 2 301.434 2.955 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCc1ccccc1 ZINC000072692915 426019564 /nfs/dbraw/zinc/01/95/64/426019564.db2.gz GMAGBLYMGKJVHV-UHFFFAOYSA-N 1 2 301.434 2.955 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000072692595 426019978 /nfs/dbraw/zinc/01/99/78/426019978.db2.gz HXOYNNYTEPRFCD-QGZVFWFLSA-N 1 2 306.454 2.693 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000072692595 426019981 /nfs/dbraw/zinc/01/99/81/426019981.db2.gz HXOYNNYTEPRFCD-QGZVFWFLSA-N 1 2 306.454 2.693 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127820671 426087473 /nfs/dbraw/zinc/08/74/73/426087473.db2.gz QPFKNGASAZRFOQ-CQSZACIVSA-N 1 2 315.392 2.675 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127820671 426087475 /nfs/dbraw/zinc/08/74/75/426087475.db2.gz QPFKNGASAZRFOQ-CQSZACIVSA-N 1 2 315.392 2.675 20 30 DFEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000127969149 426095342 /nfs/dbraw/zinc/09/53/42/426095342.db2.gz WTUTZKVWYBRRTP-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000127969149 426095344 /nfs/dbraw/zinc/09/53/44/426095344.db2.gz WTUTZKVWYBRRTP-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000076072870 426098115 /nfs/dbraw/zinc/09/81/15/426098115.db2.gz ASUTUYGXLSSULF-GXTWGEPZSA-N 1 2 303.431 2.713 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000076072870 426098118 /nfs/dbraw/zinc/09/81/18/426098118.db2.gz ASUTUYGXLSSULF-GXTWGEPZSA-N 1 2 303.431 2.713 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000128495301 426120456 /nfs/dbraw/zinc/12/04/56/426120456.db2.gz LZKGGUIKHXRQSU-AWEZNQCLSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000128495301 426120458 /nfs/dbraw/zinc/12/04/58/426120458.db2.gz LZKGGUIKHXRQSU-AWEZNQCLSA-N 1 2 315.398 2.759 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccncc1)[C@H]1CCc2ccccc21 ZINC000112558981 426082336 /nfs/dbraw/zinc/08/23/36/426082336.db2.gz RYQYEOXVCMKFTA-SFHVURJKSA-N 1 2 305.381 2.643 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccncc1)[C@H]1CCc2ccccc21 ZINC000112558981 426082340 /nfs/dbraw/zinc/08/23/40/426082340.db2.gz RYQYEOXVCMKFTA-SFHVURJKSA-N 1 2 305.381 2.643 20 30 DFEDLO C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127779795 426086391 /nfs/dbraw/zinc/08/63/91/426086391.db2.gz KAZPHKRKPVWVRB-CJNGLKHVSA-N 1 2 309.373 2.870 20 30 DFEDLO C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127780016 426086608 /nfs/dbraw/zinc/08/66/08/426086608.db2.gz KAZPHKRKPVWVRB-BBRMVZONSA-N 1 2 309.373 2.870 20 30 DFEDLO N#Cc1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000114708674 426141860 /nfs/dbraw/zinc/14/18/60/426141860.db2.gz YPVPGSUMHIYYRQ-UHFFFAOYSA-N 1 2 315.764 2.582 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000170845014 426154132 /nfs/dbraw/zinc/15/41/32/426154132.db2.gz KJDAWJWBQQXHHF-UHFFFAOYSA-N 1 2 308.316 2.994 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cnn(C)c3)C2)c1 ZINC000130788263 426162083 /nfs/dbraw/zinc/16/20/83/426162083.db2.gz KDKWLRGGBVZGRA-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cnn(C)c3)C2)c1 ZINC000130788263 426162086 /nfs/dbraw/zinc/16/20/86/426162086.db2.gz KDKWLRGGBVZGRA-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO Cc1ccc(C(=O)N(CC#N)CC#N)cc1Oc1cc[nH+]cc1 ZINC000115353533 426162146 /nfs/dbraw/zinc/16/21/46/426162146.db2.gz MKFQJISMIZDYNV-UHFFFAOYSA-N 1 2 306.325 2.672 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131615971 426166534 /nfs/dbraw/zinc/16/65/34/426166534.db2.gz CZVFCBFRDBUUIL-QGZVFWFLSA-N 1 2 309.413 2.703 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C(N)=O)cc1 ZINC000115599097 426169815 /nfs/dbraw/zinc/16/98/15/426169815.db2.gz MDQIVDHJPQSSTD-OAHLLOKOSA-N 1 2 317.751 2.667 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(I)cc1 ZINC000088174619 426273660 /nfs/dbraw/zinc/27/36/60/426273660.db2.gz XHQUQJSHNLMLMU-SNVBAGLBSA-N 1 2 314.170 2.883 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(I)cc1 ZINC000088174619 426273662 /nfs/dbraw/zinc/27/36/62/426273662.db2.gz XHQUQJSHNLMLMU-SNVBAGLBSA-N 1 2 314.170 2.883 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1C#N ZINC000172536750 426228409 /nfs/dbraw/zinc/22/84/09/426228409.db2.gz MWANNKCHUORJDL-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1C#N ZINC000172536750 426228414 /nfs/dbraw/zinc/22/84/14/426228414.db2.gz MWANNKCHUORJDL-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO N#Cc1ccccc1OCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000118643249 426241007 /nfs/dbraw/zinc/24/10/07/426241007.db2.gz AIYINPREIQSEBU-UHFFFAOYSA-N 1 2 318.336 2.966 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCCOCC)Cc1ccc(Cl)s1 ZINC000084678847 426242824 /nfs/dbraw/zinc/24/28/24/426242824.db2.gz JECPHNYVJNLDPR-UHFFFAOYSA-N 1 2 316.854 2.542 20 30 DFEDLO C=CC[N@H+](CC(=O)NCCOCC)Cc1ccc(Cl)s1 ZINC000084678847 426242827 /nfs/dbraw/zinc/24/28/27/426242827.db2.gz JECPHNYVJNLDPR-UHFFFAOYSA-N 1 2 316.854 2.542 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(I)cc1 ZINC000088174620 426273522 /nfs/dbraw/zinc/27/35/22/426273522.db2.gz XHQUQJSHNLMLMU-JTQLQIEISA-N 1 2 314.170 2.883 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(I)cc1 ZINC000088174620 426273527 /nfs/dbraw/zinc/27/35/27/426273527.db2.gz XHQUQJSHNLMLMU-JTQLQIEISA-N 1 2 314.170 2.883 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000152728480 426350710 /nfs/dbraw/zinc/35/07/10/426350710.db2.gz UHVUYQPCWJPXMG-MRXNPFEDSA-N 1 2 300.402 2.900 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000152728480 426350711 /nfs/dbraw/zinc/35/07/11/426350711.db2.gz UHVUYQPCWJPXMG-MRXNPFEDSA-N 1 2 300.402 2.900 20 30 DFEDLO C=CC[N@@H+](Cc1cn(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646209 426351159 /nfs/dbraw/zinc/35/11/59/426351159.db2.gz BYVJIBFCSGIUIK-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO C=CC[N@H+](Cc1cn(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646209 426351162 /nfs/dbraw/zinc/35/11/62/426351162.db2.gz BYVJIBFCSGIUIK-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO N#CC1(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000122011328 426356163 /nfs/dbraw/zinc/35/61/63/426356163.db2.gz SORHKTRFFLGEOW-VMPITWQZSA-N 1 2 306.369 2.838 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cnn(C)c3)C2)cc1 ZINC000093647264 426358778 /nfs/dbraw/zinc/35/87/78/426358778.db2.gz TWGOJYHEZZHEID-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cnn(C)c3)C2)cc1 ZINC000093647264 426358782 /nfs/dbraw/zinc/35/87/82/426358782.db2.gz TWGOJYHEZZHEID-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO N#Cc1cc(NCc2[nH+]ccn2CCCc2ccccc2)ccn1 ZINC000340013189 268930855 /nfs/dbraw/zinc/93/08/55/268930855.db2.gz DUQLCYNHPHFERU-UHFFFAOYSA-N 1 2 317.396 2.817 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(C#N)cs2)oc1C ZINC000122440323 426375946 /nfs/dbraw/zinc/37/59/46/426375946.db2.gz NBLHEMKOYZHLLT-UHFFFAOYSA-N 1 2 304.371 2.940 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(C#N)cs2)oc1C ZINC000122440323 426375950 /nfs/dbraw/zinc/37/59/50/426375950.db2.gz NBLHEMKOYZHLLT-UHFFFAOYSA-N 1 2 304.371 2.940 20 30 DFEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N(C)CCC#N ZINC000153572609 426391597 /nfs/dbraw/zinc/39/15/97/426391597.db2.gz XCXKJCWZBYTGSS-ZDUSSCGKSA-N 1 2 307.825 2.922 20 30 DFEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N(C)CCC#N ZINC000153572609 426391599 /nfs/dbraw/zinc/39/15/99/426391599.db2.gz XCXKJCWZBYTGSS-ZDUSSCGKSA-N 1 2 307.825 2.922 20 30 DFEDLO CCc1noc([C@H](C)O[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000123387336 426430636 /nfs/dbraw/zinc/43/06/36/426430636.db2.gz TTXWJCHQTZVCAV-VIFPVBQESA-N 1 2 308.769 2.878 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1F ZINC000340747766 269007716 /nfs/dbraw/zinc/00/77/16/269007716.db2.gz XAYUYQIINOMWLA-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195367768 426520644 /nfs/dbraw/zinc/52/06/44/426520644.db2.gz CCHIVRXSRVVMJN-AWEZNQCLSA-N 1 2 305.447 2.871 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195367768 426520649 /nfs/dbraw/zinc/52/06/49/426520649.db2.gz CCHIVRXSRVVMJN-AWEZNQCLSA-N 1 2 305.447 2.871 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280248578 426529386 /nfs/dbraw/zinc/52/93/86/426529386.db2.gz BIECMIQJVYBHQH-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280248578 426529389 /nfs/dbraw/zinc/52/93/89/426529389.db2.gz BIECMIQJVYBHQH-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1OC ZINC000264431906 426550911 /nfs/dbraw/zinc/55/09/11/426550911.db2.gz WINBEDLLZPRIQQ-UHFFFAOYSA-N 1 2 317.389 2.976 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000177548461 426493950 /nfs/dbraw/zinc/49/39/50/426493950.db2.gz AYNMIGGIOVLLEH-FVQGUVRESA-N 1 2 320.396 2.878 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000273086078 426589926 /nfs/dbraw/zinc/58/99/26/426589926.db2.gz CSFITXGJAADETL-UHFFFAOYSA-N 1 2 308.381 2.728 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000273227885 426621511 /nfs/dbraw/zinc/62/15/11/426621511.db2.gz CBWDLOZKHIMSGV-INIZCTEOSA-N 1 2 320.433 2.784 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561407 426600641 /nfs/dbraw/zinc/60/06/41/426600641.db2.gz UYURUCICUJNVGC-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561407 426600646 /nfs/dbraw/zinc/60/06/46/426600646.db2.gz UYURUCICUJNVGC-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO Cc1ccc([C@@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)o1 ZINC000280638228 426622021 /nfs/dbraw/zinc/62/20/21/426622021.db2.gz YAAWKARIIYHAKP-QGZVFWFLSA-N 1 2 311.385 2.945 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)on1 ZINC000265489221 426645043 /nfs/dbraw/zinc/64/50/43/426645043.db2.gz FYMKMODGNGCBLX-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2)cn1 ZINC000187517839 426667021 /nfs/dbraw/zinc/66/70/21/426667021.db2.gz NWPCIHYZUGVKPT-QGZVFWFLSA-N 1 2 310.332 2.903 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000280884397 426677329 /nfs/dbraw/zinc/67/73/29/426677329.db2.gz AOEGEFIWJTXQSW-IARIHHJXSA-N 1 2 316.401 2.566 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000273531980 426680818 /nfs/dbraw/zinc/68/08/18/426680818.db2.gz TTXOIZBNLICYKZ-GDBMZVCRSA-N 1 2 322.449 2.932 20 30 DFEDLO C#Cc1cccc(NC(=O)CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000265373348 426626780 /nfs/dbraw/zinc/62/67/80/426626780.db2.gz PBJZIHGSIRKKBP-UHFFFAOYSA-N 1 2 306.369 2.694 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281206435 426705345 /nfs/dbraw/zinc/70/53/45/426705345.db2.gz CUVSOSLJANWYAC-DZGCQCFKSA-N 1 2 311.385 2.779 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2Br)C1=O ZINC000281404653 426717998 /nfs/dbraw/zinc/71/79/98/426717998.db2.gz XUOCEVSYZKDEHY-AWEZNQCLSA-N 1 2 323.234 2.668 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2Br)C1=O ZINC000281404653 426718000 /nfs/dbraw/zinc/71/80/00/426718000.db2.gz XUOCEVSYZKDEHY-AWEZNQCLSA-N 1 2 323.234 2.668 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(C3CCCCC3)no2)C1=O ZINC000281514151 426721617 /nfs/dbraw/zinc/72/16/17/426721617.db2.gz YXVCSGVQDRPOPD-TZMCWYRMSA-N 1 2 318.421 2.555 20 30 DFEDLO C=CCCCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000274467182 426774023 /nfs/dbraw/zinc/77/40/23/426774023.db2.gz LQFOUGWQSWUGRT-UHFFFAOYSA-N 1 2 310.199 2.894 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CCC1 ZINC000188733915 426782930 /nfs/dbraw/zinc/78/29/30/426782930.db2.gz XPEZOAVOMXGZSE-UHFFFAOYSA-N 1 2 317.433 2.682 20 30 DFEDLO CC(C)[C@@H](CNc1c(Cl)cccc1C#N)[NH+]1CCN(C)CC1 ZINC000266162708 426723822 /nfs/dbraw/zinc/72/38/22/426723822.db2.gz NZDOVJONHBRFRY-MRXNPFEDSA-N 1 2 320.868 2.896 20 30 DFEDLO CC(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274257300 426730854 /nfs/dbraw/zinc/73/08/54/426730854.db2.gz VWNOYGGVOZMKID-INIZCTEOSA-N 1 2 313.445 2.885 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000245408024 426734513 /nfs/dbraw/zinc/73/45/13/426734513.db2.gz FFIMRZHRGDFPOV-FUHWJXTLSA-N 1 2 316.449 2.607 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000245408024 426734519 /nfs/dbraw/zinc/73/45/19/426734519.db2.gz FFIMRZHRGDFPOV-FUHWJXTLSA-N 1 2 316.449 2.607 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274312536 426740285 /nfs/dbraw/zinc/74/02/85/426740285.db2.gz XRYKHNXTQRTNAF-MRXNPFEDSA-N 1 2 311.429 2.805 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179168000 426762927 /nfs/dbraw/zinc/76/29/27/426762927.db2.gz OTQUSPBZYJSYJP-OAHLLOKOSA-N 1 2 321.384 2.662 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1=O ZINC000281946598 426799329 /nfs/dbraw/zinc/79/93/29/426799329.db2.gz JFWYABMSVSDNMA-OALUTQOASA-N 1 2 321.424 2.680 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1=O ZINC000281946598 426799332 /nfs/dbraw/zinc/79/93/32/426799332.db2.gz JFWYABMSVSDNMA-OALUTQOASA-N 1 2 321.424 2.680 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000246279445 426817525 /nfs/dbraw/zinc/81/75/25/426817525.db2.gz AGLHMJPHIZLRCE-JKSUJKDBSA-N 1 2 318.442 2.846 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000246279445 426817529 /nfs/dbraw/zinc/81/75/29/426817529.db2.gz AGLHMJPHIZLRCE-JKSUJKDBSA-N 1 2 318.442 2.846 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267175611 426836868 /nfs/dbraw/zinc/83/68/68/426836868.db2.gz JBCLMCMSWMKFGO-DOMZBBRYSA-N 1 2 305.809 2.847 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267175611 426836874 /nfs/dbraw/zinc/83/68/74/426836874.db2.gz JBCLMCMSWMKFGO-DOMZBBRYSA-N 1 2 305.809 2.847 20 30 DFEDLO N#CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1CCCC1 ZINC000189367931 426845824 /nfs/dbraw/zinc/84/58/24/426845824.db2.gz UFGVFFLUYOVOOO-UHFFFAOYSA-N 1 2 300.271 2.969 20 30 DFEDLO N#CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCCC1 ZINC000189367931 426845830 /nfs/dbraw/zinc/84/58/30/426845830.db2.gz UFGVFFLUYOVOOO-UHFFFAOYSA-N 1 2 300.271 2.969 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180270189 426850331 /nfs/dbraw/zinc/85/03/31/426850331.db2.gz VCKLNZYBQCVTBO-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180270189 426850334 /nfs/dbraw/zinc/85/03/34/426850334.db2.gz VCKLNZYBQCVTBO-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)c2cc(C#N)c[nH]2)c1)[NH+]1CCOCC1 ZINC000267251236 426856445 /nfs/dbraw/zinc/85/64/45/426856445.db2.gz ZHFHMMPGMDIMTD-ZDUSSCGKSA-N 1 2 324.384 2.532 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189649092 426916163 /nfs/dbraw/zinc/91/61/63/426916163.db2.gz OACWDEKBOVDQKH-ZDUSSCGKSA-N 1 2 315.417 2.775 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000310899641 426922950 /nfs/dbraw/zinc/92/29/50/426922950.db2.gz MLELURIKGAKRIE-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000310899641 426922955 /nfs/dbraw/zinc/92/29/55/426922955.db2.gz MLELURIKGAKRIE-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000310899642 426923160 /nfs/dbraw/zinc/92/31/60/426923160.db2.gz MLELURIKGAKRIE-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1O ZINC000310899642 426923166 /nfs/dbraw/zinc/92/31/66/426923166.db2.gz MLELURIKGAKRIE-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268072848 426904992 /nfs/dbraw/zinc/90/49/92/426904992.db2.gz RQGSDCQDUAIVQJ-UHFFFAOYSA-N 1 2 303.406 2.842 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000189779066 426948649 /nfs/dbraw/zinc/94/86/49/426948649.db2.gz YKNLUFCWQGRAAB-GOSISDBHSA-N 1 2 317.433 2.527 20 30 DFEDLO CCc1nnc(N2CCC(n3cc[nH+]c3)CC2)c(C#N)c1CC ZINC000268227777 426955560 /nfs/dbraw/zinc/95/55/60/426955560.db2.gz RRVRSRNKVJENHP-UHFFFAOYSA-N 1 2 310.405 2.511 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000247787613 426962032 /nfs/dbraw/zinc/96/20/32/426962032.db2.gz YQWAYDOZPQUSLB-DLBZAZTESA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000247787613 426962039 /nfs/dbraw/zinc/96/20/39/426962039.db2.gz YQWAYDOZPQUSLB-DLBZAZTESA-N 1 2 316.401 2.519 20 30 DFEDLO Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1C#N ZINC000291732431 426967931 /nfs/dbraw/zinc/96/79/31/426967931.db2.gz XXTMJVJJMQTVQL-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000268269146 426973188 /nfs/dbraw/zinc/97/31/88/426973188.db2.gz BSXMKNONDNMTAU-PWSUYJOCSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000268269146 426973191 /nfs/dbraw/zinc/97/31/91/426973191.db2.gz BSXMKNONDNMTAU-PWSUYJOCSA-N 1 2 317.216 2.967 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000189926796 426982307 /nfs/dbraw/zinc/98/23/07/426982307.db2.gz JXEUZRWUPPMFKY-UHFFFAOYSA-N 1 2 323.396 2.910 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000189926796 426982313 /nfs/dbraw/zinc/98/23/13/426982313.db2.gz JXEUZRWUPPMFKY-UHFFFAOYSA-N 1 2 323.396 2.910 20 30 DFEDLO C=CCCN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000276085429 426982713 /nfs/dbraw/zinc/98/27/13/426982713.db2.gz LTVOORNNXIMNKP-CQSZACIVSA-N 1 2 311.376 2.785 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)CCC2 ZINC000328675576 426988285 /nfs/dbraw/zinc/98/82/85/426988285.db2.gz QXAIFTXKPCJQLV-LRDDRELGSA-N 1 2 304.394 2.782 20 30 DFEDLO C[C@H]([C@H](C)NC(=O)c1coc(C2CCCC2)n1)[NH+]1CCOCC1 ZINC000328713980 426990142 /nfs/dbraw/zinc/99/01/42/426990142.db2.gz CWJQPYFCGSAFGD-QWHCGFSZSA-N 1 2 321.421 2.746 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000291611443 426927147 /nfs/dbraw/zinc/92/71/47/426927147.db2.gz RAIJIRUUKUCNOB-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO C=CC[N@@H+](Cc1ccnn1CCCOC)Cc1cccc(C#N)c1 ZINC000282860940 426930770 /nfs/dbraw/zinc/93/07/70/426930770.db2.gz USVHEOSFLOPYFF-UHFFFAOYSA-N 1 2 324.428 2.979 20 30 DFEDLO C=CC[N@H+](Cc1ccnn1CCCOC)Cc1cccc(C#N)c1 ZINC000282860940 426930774 /nfs/dbraw/zinc/93/07/74/426930774.db2.gz USVHEOSFLOPYFF-UHFFFAOYSA-N 1 2 324.428 2.979 20 30 DFEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2conc2C2CC2)C[C@H](C)O1 ZINC000329202185 427062925 /nfs/dbraw/zinc/06/29/25/427062925.db2.gz XYBWHKKHRKMJRB-TXEJJXNPSA-N 1 2 321.421 2.744 20 30 DFEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2conc2C2CC2)C[C@H](C)O1 ZINC000329202185 427062933 /nfs/dbraw/zinc/06/29/33/427062933.db2.gz XYBWHKKHRKMJRB-TXEJJXNPSA-N 1 2 321.421 2.744 20 30 DFEDLO O=C(NCC[NH+]1CCOCC1)Nc1cccc2ccsc21 ZINC000328834820 427003571 /nfs/dbraw/zinc/00/35/71/427003571.db2.gz SEWUKNJLUZOWEB-UHFFFAOYSA-N 1 2 305.403 2.559 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CCC(F)(F)CC1 ZINC000328845230 427004542 /nfs/dbraw/zinc/00/45/42/427004542.db2.gz ACNQGEJFVQTWFB-NSHDSACASA-N 1 2 312.364 2.842 20 30 DFEDLO CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000328942368 427015211 /nfs/dbraw/zinc/01/52/11/427015211.db2.gz UBFPKYNQMCWLNE-BZUAXINKSA-N 1 2 324.465 2.695 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000328943077 427015633 /nfs/dbraw/zinc/01/56/33/427015633.db2.gz ITVJEUCKDNEPFF-CPUCHLNUSA-N 1 2 303.406 2.680 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000328973729 427018791 /nfs/dbraw/zinc/01/87/91/427018791.db2.gz ASFVTNAUVKKBDP-LXTVHRRPSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000328973729 427018797 /nfs/dbraw/zinc/01/87/97/427018797.db2.gz ASFVTNAUVKKBDP-LXTVHRRPSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328973412 427019508 /nfs/dbraw/zinc/01/95/08/427019508.db2.gz VPSCOTLQBMXGMU-CMPLNLGQSA-N 1 2 304.394 2.759 20 30 DFEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328973412 427019513 /nfs/dbraw/zinc/01/95/13/427019513.db2.gz VPSCOTLQBMXGMU-CMPLNLGQSA-N 1 2 304.394 2.759 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)N[C@H](C)c3cccs3)C2)n1 ZINC000329032555 427032121 /nfs/dbraw/zinc/03/21/21/427032121.db2.gz LUDOOTKTIVNDAI-ZYHUDNBSSA-N 1 2 320.418 2.947 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)N[C@H](C)c3cccs3)C2)n1 ZINC000329032555 427032126 /nfs/dbraw/zinc/03/21/26/427032126.db2.gz LUDOOTKTIVNDAI-ZYHUDNBSSA-N 1 2 320.418 2.947 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329052908 427033886 /nfs/dbraw/zinc/03/38/86/427033886.db2.gz HKVHYAABNNNCEN-CRAIPNDOSA-N 1 2 318.417 2.853 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329052908 427033892 /nfs/dbraw/zinc/03/38/92/427033892.db2.gz HKVHYAABNNNCEN-CRAIPNDOSA-N 1 2 318.417 2.853 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000268498202 427034274 /nfs/dbraw/zinc/03/42/74/427034274.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000268498202 427034282 /nfs/dbraw/zinc/03/42/82/427034282.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000268498202 427034286 /nfs/dbraw/zinc/03/42/86/427034286.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000268498202 427034294 /nfs/dbraw/zinc/03/42/94/427034294.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000268498202 427034298 /nfs/dbraw/zinc/03/42/98/427034298.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000268498202 427034300 /nfs/dbraw/zinc/03/43/00/427034300.db2.gz RQEDDYZMVPQGBS-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCc2ccn(C3CCCC3)n2)cs1 ZINC000268568341 427053425 /nfs/dbraw/zinc/05/34/25/427053425.db2.gz HLEMFKLWLSABPK-UHFFFAOYSA-N 1 2 319.434 2.795 20 30 DFEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329214752 427065146 /nfs/dbraw/zinc/06/51/46/427065146.db2.gz LOKPQEMUCMBFDW-UXIGCNINSA-N 1 2 318.421 2.936 20 30 DFEDLO CCc1ccnc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000329265727 427076704 /nfs/dbraw/zinc/07/67/04/427076704.db2.gz CLHWWTLIBZUHSU-KRWDZBQOSA-N 1 2 317.433 2.744 20 30 DFEDLO CCc1ccnc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000329265727 427076708 /nfs/dbraw/zinc/07/67/08/427076708.db2.gz CLHWWTLIBZUHSU-KRWDZBQOSA-N 1 2 317.433 2.744 20 30 DFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329272479 427079215 /nfs/dbraw/zinc/07/92/15/427079215.db2.gz AEESLXPOJXWVKD-GFCCVEGCSA-N 1 2 324.450 2.895 20 30 DFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329272479 427079221 /nfs/dbraw/zinc/07/92/21/427079221.db2.gz AEESLXPOJXWVKD-GFCCVEGCSA-N 1 2 324.450 2.895 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1CCCC1)C2 ZINC000329292784 427084466 /nfs/dbraw/zinc/08/44/66/427084466.db2.gz RHOLPAOIDHLBSV-CYBMUJFWSA-N 1 2 304.438 2.942 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1CCCC1)C2 ZINC000329292784 427084470 /nfs/dbraw/zinc/08/44/70/427084470.db2.gz RHOLPAOIDHLBSV-CYBMUJFWSA-N 1 2 304.438 2.942 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000292118882 427097358 /nfs/dbraw/zinc/09/73/58/427097358.db2.gz HNMFHNZYSKQSCI-CYBMUJFWSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000292118882 427097366 /nfs/dbraw/zinc/09/73/66/427097366.db2.gz HNMFHNZYSKQSCI-CYBMUJFWSA-N 1 2 315.398 2.759 20 30 DFEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000329360768 427099422 /nfs/dbraw/zinc/09/94/22/427099422.db2.gz IEQGDQHXNATUGS-IIAWOOMASA-N 1 2 305.422 2.996 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c(C#N)c1C ZINC000329463469 427122599 /nfs/dbraw/zinc/12/25/99/427122599.db2.gz QPKNJGWMTCBQHP-UHFFFAOYSA-N 1 2 319.430 2.937 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c(C#N)c1C ZINC000329463469 427122603 /nfs/dbraw/zinc/12/26/03/427122603.db2.gz QPKNJGWMTCBQHP-UHFFFAOYSA-N 1 2 319.430 2.937 20 30 DFEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)C(C)C ZINC000276996897 427132210 /nfs/dbraw/zinc/13/22/10/427132210.db2.gz XUSGYIAVAPNJFK-QGZVFWFLSA-N 1 2 319.497 2.821 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OC ZINC000277287820 427152376 /nfs/dbraw/zinc/15/23/76/427152376.db2.gz ACJQWRAOQMFNQU-PEBXRYMYSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1OC ZINC000277287820 427152385 /nfs/dbraw/zinc/15/23/85/427152385.db2.gz ACJQWRAOQMFNQU-PEBXRYMYSA-N 1 2 323.458 2.603 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000269455627 427200461 /nfs/dbraw/zinc/20/04/61/427200461.db2.gz FKIPMPHZJBJWRI-KRWDZBQOSA-N 1 2 316.420 2.804 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000269455627 427200468 /nfs/dbraw/zinc/20/04/68/427200468.db2.gz FKIPMPHZJBJWRI-KRWDZBQOSA-N 1 2 316.420 2.804 20 30 DFEDLO O=C(NCC#Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338240970 427206396 /nfs/dbraw/zinc/20/63/96/427206396.db2.gz ZESNNVMBGVXKTL-UHFFFAOYSA-N 1 2 319.339 2.793 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c(C#N)c1C ZINC000269538950 427221384 /nfs/dbraw/zinc/22/13/84/427221384.db2.gz UQSAGVGHWVRLQE-NSHDSACASA-N 1 2 301.346 2.993 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c(C#N)c1C ZINC000269538950 427221392 /nfs/dbraw/zinc/22/13/92/427221392.db2.gz UQSAGVGHWVRLQE-NSHDSACASA-N 1 2 301.346 2.993 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000338266991 427224830 /nfs/dbraw/zinc/22/48/30/427224830.db2.gz BYNGETPCRLKNKF-SFHVURJKSA-N 1 2 323.371 2.793 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277536808 427236002 /nfs/dbraw/zinc/23/60/02/427236002.db2.gz LOFYSAPAXKKLIF-SFHVURJKSA-N 1 2 321.465 2.913 20 30 DFEDLO C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330520989 427256259 /nfs/dbraw/zinc/25/62/59/427256259.db2.gz HOYGQWRXWLZVJT-JTQLQIEISA-N 1 2 304.316 2.734 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccncc1F ZINC000338343622 427268363 /nfs/dbraw/zinc/26/83/63/427268363.db2.gz NAFMYVSVBJCMHL-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000255515383 427273216 /nfs/dbraw/zinc/27/32/16/427273216.db2.gz VWXXXVXBEYVNQB-ZIAGYGMSSA-N 1 2 305.397 2.827 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000255515383 427273226 /nfs/dbraw/zinc/27/32/26/427273226.db2.gz VWXXXVXBEYVNQB-ZIAGYGMSSA-N 1 2 305.397 2.827 20 30 DFEDLO Cn1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1C#N ZINC000191320449 427319881 /nfs/dbraw/zinc/31/98/81/427319881.db2.gz YFXWPXIPQPUVPV-UHFFFAOYSA-N 1 2 309.398 2.705 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)cc2n1C ZINC000331079529 427340842 /nfs/dbraw/zinc/34/08/42/427340842.db2.gz WXQGJEFLPPLNKW-HNNXBMFYSA-N 1 2 303.406 2.982 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccsc2)O1 ZINC000191418865 427346208 /nfs/dbraw/zinc/34/62/08/427346208.db2.gz CHTHITVNISATJT-MLGOLLRUSA-N 1 2 301.415 2.920 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccsc2)O1 ZINC000191418865 427346211 /nfs/dbraw/zinc/34/62/11/427346211.db2.gz CHTHITVNISATJT-MLGOLLRUSA-N 1 2 301.415 2.920 20 30 DFEDLO CC1(C)CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330716310 427296591 /nfs/dbraw/zinc/29/65/91/427296591.db2.gz UBJWXRXTGISYRN-UHFFFAOYSA-N 1 2 318.343 2.981 20 30 DFEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C(C)(C)C)no1 ZINC000191569074 427382546 /nfs/dbraw/zinc/38/25/46/427382546.db2.gz BAJARGOCAJLFLL-NSHDSACASA-N 1 2 324.388 2.737 20 30 DFEDLO C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(C(C)(C)C)no1 ZINC000191569074 427382555 /nfs/dbraw/zinc/38/25/55/427382555.db2.gz BAJARGOCAJLFLL-NSHDSACASA-N 1 2 324.388 2.737 20 30 DFEDLO CCc1ccc(CC)c(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000331254696 427382707 /nfs/dbraw/zinc/38/27/07/427382707.db2.gz UDUQTVJJLDRZCU-AWEZNQCLSA-N 1 2 319.449 2.858 20 30 DFEDLO CC[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331289894 427391498 /nfs/dbraw/zinc/39/14/98/427391498.db2.gz JPBNQFDTZLOLPL-JTQLQIEISA-N 1 2 304.316 2.591 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000278790272 427454002 /nfs/dbraw/zinc/45/40/02/427454002.db2.gz YIRICOIQIYLJCB-INIZCTEOSA-N 1 2 323.462 2.641 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000192258895 427510991 /nfs/dbraw/zinc/51/09/91/427510991.db2.gz HGHNYMCNTGWAHI-UHFFFAOYSA-N 1 2 324.428 2.798 20 30 DFEDLO CCCOc1cccc2c(NCCn3cnc(C#N)n3)cc[nH+]c12 ZINC000286386876 427514484 /nfs/dbraw/zinc/51/44/84/427514484.db2.gz NMLLIESFENHVDH-UHFFFAOYSA-N 1 2 322.372 2.599 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000263767027 427564701 /nfs/dbraw/zinc/56/47/01/427564701.db2.gz VWUKUHCVIMKVDX-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC000338951034 427583665 /nfs/dbraw/zinc/58/36/65/427583665.db2.gz CQBYKIVFGQSPFE-IUODEOHRSA-N 1 2 311.809 2.605 20 30 DFEDLO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342415780 272007413 /nfs/dbraw/zinc/00/74/13/272007413.db2.gz BDMTUUAQEWSXMR-HKUYNNGSSA-N 1 2 311.429 2.639 20 30 DFEDLO C[N@H+](CCOCCC#N)Cc1ccc(F)cc1Br ZINC000339125917 427688152 /nfs/dbraw/zinc/68/81/52/427688152.db2.gz BTAGETRNBHPILH-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO C[N@@H+](CCOCCC#N)Cc1ccc(F)cc1Br ZINC000339125917 427688157 /nfs/dbraw/zinc/68/81/57/427688157.db2.gz BTAGETRNBHPILH-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC000339132250 427693256 /nfs/dbraw/zinc/69/32/56/427693256.db2.gz HEZSMLREDLCLCI-NJAFHUGGSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC000339132250 427693263 /nfs/dbraw/zinc/69/32/63/427693263.db2.gz HEZSMLREDLCLCI-NJAFHUGGSA-N 1 2 319.832 2.960 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000193796981 427713566 /nfs/dbraw/zinc/71/35/66/427713566.db2.gz HWBBYISHEIQTJB-QGZVFWFLSA-N 1 2 316.401 2.583 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000193796981 427713569 /nfs/dbraw/zinc/71/35/69/427713569.db2.gz HWBBYISHEIQTJB-QGZVFWFLSA-N 1 2 316.401 2.583 20 30 DFEDLO Cc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000301233008 427783085 /nfs/dbraw/zinc/78/30/85/427783085.db2.gz GFWNHILADUHOSX-CQSZACIVSA-N 1 2 311.364 2.877 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3cc(C#N)ccn3)ccc2[nH+]1 ZINC000339259793 427743811 /nfs/dbraw/zinc/74/38/11/427743811.db2.gz YSQIMRMTFDVILT-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO C[C@@H](NC(=O)c1cc(C#N)ccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000339279763 427749428 /nfs/dbraw/zinc/74/94/28/427749428.db2.gz PQIXQOCKCYPZNG-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO C=CC[C@H](CC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000337087545 427797834 /nfs/dbraw/zinc/79/78/34/427797834.db2.gz GEBKVDDMMOAFKY-KRWDZBQOSA-N 1 2 302.418 2.603 20 30 DFEDLO CCNC(=O)c1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301755695 427821419 /nfs/dbraw/zinc/82/14/19/427821419.db2.gz DFIFMXLZSWLREG-UHFFFAOYSA-N 1 2 308.385 2.932 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000339751234 427821506 /nfs/dbraw/zinc/82/15/06/427821506.db2.gz JKLORXPJKUGVIO-NSHDSACASA-N 1 2 314.458 2.853 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000339751234 427821507 /nfs/dbraw/zinc/82/15/07/427821507.db2.gz JKLORXPJKUGVIO-NSHDSACASA-N 1 2 314.458 2.853 20 30 DFEDLO C#Cc1cccc(NC(=O)CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301751475 427821682 /nfs/dbraw/zinc/82/16/82/427821682.db2.gz AZMDIAQIGMOHJX-UHFFFAOYSA-N 1 2 304.353 2.602 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000339751876 427822530 /nfs/dbraw/zinc/82/25/30/427822530.db2.gz BSBMZXPDCGIXQG-INIZCTEOSA-N 1 2 302.418 2.608 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000339751876 427822531 /nfs/dbraw/zinc/82/25/31/427822531.db2.gz BSBMZXPDCGIXQG-INIZCTEOSA-N 1 2 302.418 2.608 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000339755169 427822817 /nfs/dbraw/zinc/82/28/17/427822817.db2.gz AXQWMNVUZAOHLO-AWEZNQCLSA-N 1 2 316.401 2.534 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000339755169 427822819 /nfs/dbraw/zinc/82/28/19/427822819.db2.gz AXQWMNVUZAOHLO-AWEZNQCLSA-N 1 2 316.401 2.534 20 30 DFEDLO Cc1nc(C[C@@H]2CCCN(c3cc(C)[nH+]c(C)c3C#N)C2)no1 ZINC000301771987 427823402 /nfs/dbraw/zinc/82/34/02/427823402.db2.gz JQQQMTFPCVKIRL-AWEZNQCLSA-N 1 2 311.389 2.721 20 30 DFEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301791518 427824335 /nfs/dbraw/zinc/82/43/35/427824335.db2.gz ZOZRHVSJBNPROX-ZDUSSCGKSA-N 1 2 309.329 2.552 20 30 DFEDLO CC(=O)N1CCC(CCNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301785326 427824409 /nfs/dbraw/zinc/82/44/09/427824409.db2.gz OPKUOKASNMNONO-UHFFFAOYSA-N 1 2 300.406 2.631 20 30 DFEDLO CC#CC[N@H+](C)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000339764612 427824876 /nfs/dbraw/zinc/82/48/76/427824876.db2.gz VWERYYGFTJJLAD-AWEZNQCLSA-N 1 2 310.319 2.766 20 30 DFEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000339764612 427824879 /nfs/dbraw/zinc/82/48/79/427824879.db2.gz VWERYYGFTJJLAD-AWEZNQCLSA-N 1 2 310.319 2.766 20 30 DFEDLO CCN(CC)C(=O)C1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301794472 427825452 /nfs/dbraw/zinc/82/54/52/427825452.db2.gz SIXMSFHLFZAZJQ-UHFFFAOYSA-N 1 2 314.433 2.655 20 30 DFEDLO CN(C)c1cc(CNc2nc3c(cc2C#N)CCCC3)cc[nH+]1 ZINC000301899609 427834671 /nfs/dbraw/zinc/83/46/71/427834671.db2.gz TYZULKYMYFLQIS-UHFFFAOYSA-N 1 2 307.401 2.905 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000355659057 427838467 /nfs/dbraw/zinc/83/84/67/427838467.db2.gz XXXDDIOSWCXFFH-SFHVURJKSA-N 1 2 320.396 2.813 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000355659057 427838472 /nfs/dbraw/zinc/83/84/72/427838472.db2.gz XXXDDIOSWCXFFH-SFHVURJKSA-N 1 2 320.396 2.813 20 30 DFEDLO N#Cc1csc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355766770 427882416 /nfs/dbraw/zinc/88/24/16/427882416.db2.gz DXMXKQPZWCNOCW-UHFFFAOYSA-N 1 2 307.338 2.908 20 30 DFEDLO C=CCOc1ccccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000340022212 427903229 /nfs/dbraw/zinc/90/32/29/427903229.db2.gz HQYWYGUWCBVYQP-UHFFFAOYSA-N 1 2 310.401 3.475 20 30 DFEDLO C=CCOc1ccccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000340022212 427903234 /nfs/dbraw/zinc/90/32/34/427903234.db2.gz HQYWYGUWCBVYQP-UHFFFAOYSA-N 1 2 310.401 3.475 20 30 DFEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000304034847 427914832 /nfs/dbraw/zinc/91/48/32/427914832.db2.gz HGWZVXZHTOPBJG-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000304034847 427914837 /nfs/dbraw/zinc/91/48/37/427914837.db2.gz HGWZVXZHTOPBJG-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO CCc1nocc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000350768326 427971737 /nfs/dbraw/zinc/97/17/37/427971737.db2.gz USUJCNGKJLZWNQ-UHFFFAOYSA-N 1 2 314.364 2.570 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000350840255 427978559 /nfs/dbraw/zinc/97/85/59/427978559.db2.gz XWGNGDOOEQVBNR-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000350840255 427978566 /nfs/dbraw/zinc/97/85/66/427978566.db2.gz XWGNGDOOEQVBNR-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO Cc1ccnc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)c1 ZINC000345889103 427941964 /nfs/dbraw/zinc/94/19/64/427941964.db2.gz SAANPDLYGPJYID-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1ccnc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)c1 ZINC000345889103 427941973 /nfs/dbraw/zinc/94/19/73/427941973.db2.gz SAANPDLYGPJYID-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc(C#N)o1)CCCC2 ZINC000350553503 427942658 /nfs/dbraw/zinc/94/26/58/427942658.db2.gz FLWBDBLGCIVHBO-OAHLLOKOSA-N 1 2 324.384 2.741 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369645325 428024574 /nfs/dbraw/zinc/02/45/74/428024574.db2.gz CFTUUHDRYPDNTD-CABCVRRESA-N 1 2 304.438 2.832 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369645327 428024632 /nfs/dbraw/zinc/02/46/32/428024632.db2.gz CFTUUHDRYPDNTD-HUUCEWRRSA-N 1 2 304.438 2.832 20 30 DFEDLO C=CCOCCCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359873324 428056174 /nfs/dbraw/zinc/05/61/74/428056174.db2.gz IBIQTQFRZAEKIH-CQSZACIVSA-N 1 2 319.449 2.594 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000356055782 428003404 /nfs/dbraw/zinc/00/34/04/428003404.db2.gz LWQBXWWSTMRTJH-QPJJXVBHSA-N 1 2 324.453 2.846 20 30 DFEDLO CC[N@@H+](Cc1nc(C#N)cs1)C[C@@H]1COc2ccccc2O1 ZINC000356067741 428007223 /nfs/dbraw/zinc/00/72/23/428007223.db2.gz RNEFEEGEENTYIO-CYBMUJFWSA-N 1 2 315.398 2.677 20 30 DFEDLO CC[N@H+](Cc1nc(C#N)cs1)C[C@@H]1COc2ccccc2O1 ZINC000356067741 428007233 /nfs/dbraw/zinc/00/72/33/428007233.db2.gz RNEFEEGEENTYIO-CYBMUJFWSA-N 1 2 315.398 2.677 20 30 DFEDLO C=CCOc1cccnc1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000341422841 428068660 /nfs/dbraw/zinc/06/86/60/428068660.db2.gz UQTKKNUEMCDLRI-UHFFFAOYSA-N 1 2 322.368 2.533 20 30 DFEDLO COc1ccc2[nH+]c(C)nc(NCCc3cccc(C#N)c3)c2c1 ZINC000359928941 428081834 /nfs/dbraw/zinc/08/18/34/428081834.db2.gz BIQUIKSPUJNEGM-UHFFFAOYSA-N 1 2 318.380 3.473 20 30 DFEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356236782 428082814 /nfs/dbraw/zinc/08/28/14/428082814.db2.gz ZYICKGDZVMLWOC-JTQLQIEISA-N 1 2 314.307 2.960 20 30 DFEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356236782 428082818 /nfs/dbraw/zinc/08/28/18/428082818.db2.gz ZYICKGDZVMLWOC-JTQLQIEISA-N 1 2 314.307 2.960 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3c[nH]nc3-c3ccccn3)n2c1 ZINC000377409904 428124251 /nfs/dbraw/zinc/12/42/51/428124251.db2.gz IJOPFTPYWLSRLB-UHFFFAOYSA-N 1 2 315.340 2.603 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000356353863 428140375 /nfs/dbraw/zinc/14/03/75/428140375.db2.gz CDKZTILHGJFYMC-KRWDZBQOSA-N 1 2 311.410 2.984 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)n1 ZINC000356353863 428140377 /nfs/dbraw/zinc/14/03/77/428140377.db2.gz CDKZTILHGJFYMC-KRWDZBQOSA-N 1 2 311.410 2.984 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCSc3ccccc32)C(N)=O)cc1 ZINC000360069282 428143079 /nfs/dbraw/zinc/14/30/79/428143079.db2.gz NXTCJEJCRWHEQC-DOTOQJQBSA-N 1 2 323.421 2.911 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2ccon2)c(-c2ccc(C#N)cc2)n1 ZINC000352625426 428174206 /nfs/dbraw/zinc/17/42/06/428174206.db2.gz BQEBUNZDVRWAFV-UHFFFAOYSA-N 1 2 307.357 2.579 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2ccon2)c(-c2ccc(C#N)cc2)n1 ZINC000352625426 428174214 /nfs/dbraw/zinc/17/42/14/428174214.db2.gz BQEBUNZDVRWAFV-UHFFFAOYSA-N 1 2 307.357 2.579 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C2CC2)cc1Cl ZINC000414125112 428211634 /nfs/dbraw/zinc/21/16/34/428211634.db2.gz MCIMEHZSTOITPI-CQSZACIVSA-N 1 2 308.809 2.803 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C2CC2)cc1Cl ZINC000414125112 428211638 /nfs/dbraw/zinc/21/16/38/428211638.db2.gz MCIMEHZSTOITPI-CQSZACIVSA-N 1 2 308.809 2.803 20 30 DFEDLO C[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000360165327 428187956 /nfs/dbraw/zinc/18/79/56/428187956.db2.gz XTKBMTWACACQAA-ZDUSSCGKSA-N 1 2 308.385 2.791 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000356461514 428189820 /nfs/dbraw/zinc/18/98/20/428189820.db2.gz SVLRVKMXIZZBNQ-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000356461514 428189824 /nfs/dbraw/zinc/18/98/24/428189824.db2.gz SVLRVKMXIZZBNQ-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468100 428192192 /nfs/dbraw/zinc/19/21/92/428192192.db2.gz BZUKALKZGWZOMD-KBPBESRZSA-N 1 2 305.397 2.654 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468100 428192198 /nfs/dbraw/zinc/19/21/98/428192198.db2.gz BZUKALKZGWZOMD-KBPBESRZSA-N 1 2 305.397 2.654 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000342004012 428274719 /nfs/dbraw/zinc/27/47/19/428274719.db2.gz YEJFSDZBNDQSJO-UHFFFAOYSA-N 1 2 301.346 2.687 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000360376324 428275041 /nfs/dbraw/zinc/27/50/41/428275041.db2.gz MALFNJOJKZLVKG-WMLDXEAASA-N 1 2 322.412 2.861 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C/c1ccccc1C#N)CCC2 ZINC000370953683 428327924 /nfs/dbraw/zinc/32/79/24/428327924.db2.gz OGEKLFIPMZKUNA-KBOKABMXSA-N 1 2 320.396 2.770 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000356882241 428348930 /nfs/dbraw/zinc/34/89/30/428348930.db2.gz QHPRPYIATIFEQS-UHFFFAOYSA-N 1 2 320.396 2.849 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371471023 428392436 /nfs/dbraw/zinc/39/24/36/428392436.db2.gz QGUREZBFXBKZAB-DYVFJYSZSA-N 1 2 309.394 2.594 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371471023 428392441 /nfs/dbraw/zinc/39/24/41/428392441.db2.gz QGUREZBFXBKZAB-DYVFJYSZSA-N 1 2 309.394 2.594 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H]1C(F)(F)F ZINC000353162749 428411329 /nfs/dbraw/zinc/41/13/29/428411329.db2.gz BHRLEAJYBJMQNV-GHMZBOCLSA-N 1 2 318.339 2.742 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H]1C(F)(F)F ZINC000353162749 428411335 /nfs/dbraw/zinc/41/13/35/428411335.db2.gz BHRLEAJYBJMQNV-GHMZBOCLSA-N 1 2 318.339 2.742 20 30 DFEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)o1 ZINC000353170162 428413303 /nfs/dbraw/zinc/41/33/03/428413303.db2.gz HSBOGZFVCWONHI-UHFFFAOYSA-N 1 2 304.353 2.895 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371180429 428375322 /nfs/dbraw/zinc/37/53/22/428375322.db2.gz JXIGOFYCRVQABT-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371180429 428375329 /nfs/dbraw/zinc/37/53/29/428375329.db2.gz JXIGOFYCRVQABT-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C#N)CCCC1)C2 ZINC000372390703 428437110 /nfs/dbraw/zinc/43/71/10/428437110.db2.gz XELAXXWGMVSFKG-GFCCVEGCSA-N 1 2 300.406 2.591 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C#N)CCCC1)CC2 ZINC000372390703 428437112 /nfs/dbraw/zinc/43/71/12/428437112.db2.gz XELAXXWGMVSFKG-GFCCVEGCSA-N 1 2 300.406 2.591 20 30 DFEDLO CN1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1Cc1ccccc1 ZINC000342838725 428466663 /nfs/dbraw/zinc/46/66/63/428466663.db2.gz DGCKSFXTOLHGLD-INIZCTEOSA-N 1 2 311.454 2.978 20 30 DFEDLO CN1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1Cc1ccccc1 ZINC000342838725 428466669 /nfs/dbraw/zinc/46/66/69/428466669.db2.gz DGCKSFXTOLHGLD-INIZCTEOSA-N 1 2 311.454 2.978 20 30 DFEDLO Cc1cc(C#N)cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000342406170 428424975 /nfs/dbraw/zinc/42/49/75/428424975.db2.gz FTKRUZMHLHYPCH-OAHLLOKOSA-N 1 2 316.355 3.255 20 30 DFEDLO Cc1nnc(NCc2cccc(-n3cc[nH+]c3)c2)c(C#N)c1C ZINC000342419816 428426635 /nfs/dbraw/zinc/42/66/35/428426635.db2.gz VRVDTMZCEKLLJW-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000347068345 428432495 /nfs/dbraw/zinc/43/24/95/428432495.db2.gz FFDOMSXUISJESR-HNNXBMFYSA-N 1 2 315.417 2.931 20 30 DFEDLO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000347068345 428432500 /nfs/dbraw/zinc/43/25/00/428432500.db2.gz FFDOMSXUISJESR-HNNXBMFYSA-N 1 2 315.417 2.931 20 30 DFEDLO N#CCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000372846322 428503396 /nfs/dbraw/zinc/50/33/96/428503396.db2.gz KILORWVOXQINIL-VQIMIIECSA-N 1 2 322.412 2.928 20 30 DFEDLO N#CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000372846322 428503400 /nfs/dbraw/zinc/50/34/00/428503400.db2.gz KILORWVOXQINIL-VQIMIIECSA-N 1 2 322.412 2.928 20 30 DFEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000357306285 428475151 /nfs/dbraw/zinc/47/51/51/428475151.db2.gz SMDAIJMDYKVKLP-UHFFFAOYSA-N 1 2 307.313 2.769 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCCOC2)O1 ZINC000373470908 428585819 /nfs/dbraw/zinc/58/58/19/428585819.db2.gz UYBZROJNLHFZRZ-AEFFLSMTSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCCOC2)O1 ZINC000373470908 428585825 /nfs/dbraw/zinc/58/58/25/428585825.db2.gz UYBZROJNLHFZRZ-AEFFLSMTSA-N 1 2 318.392 2.857 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000353455664 428545547 /nfs/dbraw/zinc/54/55/47/428545547.db2.gz RIDGNYLTOUVHNP-RDBSUJKOSA-N 1 2 305.447 2.892 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000353455664 428545551 /nfs/dbraw/zinc/54/55/51/428545551.db2.gz RIDGNYLTOUVHNP-RDBSUJKOSA-N 1 2 305.447 2.892 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000404691236 428572485 /nfs/dbraw/zinc/57/24/85/428572485.db2.gz SFJQQFOUFVHWEB-VIFPVBQESA-N 1 2 319.361 2.791 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361868180 428599954 /nfs/dbraw/zinc/59/99/54/428599954.db2.gz LVAYHKWJOGUIMF-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361868180 428599957 /nfs/dbraw/zinc/59/99/57/428599957.db2.gz LVAYHKWJOGUIMF-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000373553474 428604469 /nfs/dbraw/zinc/60/44/69/428604469.db2.gz BPSAPLPHDGQVSY-OAHLLOKOSA-N 1 2 320.396 2.719 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000347690954 428620418 /nfs/dbraw/zinc/62/04/18/428620418.db2.gz NFWWYJRMUAMXFX-MNOVXSKESA-N 1 2 309.316 2.508 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000347705181 428621493 /nfs/dbraw/zinc/62/14/93/428621493.db2.gz MEADALYTRGBGKP-ZYHUDNBSSA-N 1 2 307.781 2.569 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112461 428639059 /nfs/dbraw/zinc/63/90/59/428639059.db2.gz FXIHCLRSDBXMAX-UONOGXRCSA-N 1 2 307.438 2.896 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112461 428639064 /nfs/dbraw/zinc/63/90/64/428639064.db2.gz FXIHCLRSDBXMAX-UONOGXRCSA-N 1 2 307.438 2.896 20 30 DFEDLO C[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccc(C#N)cc1 ZINC000362234172 428670088 /nfs/dbraw/zinc/67/00/88/428670088.db2.gz DRNDKOIBXVSTLA-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cc1OC(F)F ZINC000348321010 428708154 /nfs/dbraw/zinc/70/81/54/428708154.db2.gz QZQAUOFKWCBGDK-UHFFFAOYSA-N 1 2 306.316 2.525 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374638607 428720090 /nfs/dbraw/zinc/72/00/90/428720090.db2.gz VHXQCEDIWUWSRC-CRAIPNDOSA-N 1 2 317.408 2.565 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374638607 428720097 /nfs/dbraw/zinc/72/00/97/428720097.db2.gz VHXQCEDIWUWSRC-CRAIPNDOSA-N 1 2 317.408 2.565 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000348404925 428732818 /nfs/dbraw/zinc/73/28/18/428732818.db2.gz JNNDMNUTCMHIAN-SNVBAGLBSA-N 1 2 318.764 2.797 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000411192721 428756254 /nfs/dbraw/zinc/75/62/54/428756254.db2.gz MEKNKFVQNHOOED-ZDUSSCGKSA-N 1 2 319.405 2.886 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000411192721 428756256 /nfs/dbraw/zinc/75/62/56/428756256.db2.gz MEKNKFVQNHOOED-ZDUSSCGKSA-N 1 2 319.405 2.886 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[nH]1 ZINC000411222863 428762492 /nfs/dbraw/zinc/76/24/92/428762492.db2.gz JKXYHDRHQRWDTL-GFCCVEGCSA-N 1 2 311.389 2.589 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000353896715 428767629 /nfs/dbraw/zinc/76/76/29/428767629.db2.gz HMXJFTBJPNBLNV-SNVBAGLBSA-N 1 2 317.190 2.962 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000362593301 428791884 /nfs/dbraw/zinc/79/18/84/428791884.db2.gz WMORHOXKMLPKFK-NSHDSACASA-N 1 2 307.825 2.947 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000362593301 428791887 /nfs/dbraw/zinc/79/18/87/428791887.db2.gz WMORHOXKMLPKFK-NSHDSACASA-N 1 2 307.825 2.947 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000362614505 428794475 /nfs/dbraw/zinc/79/44/75/428794475.db2.gz PPXCJSCVDDAAIC-RRFJBIMHSA-N 1 2 317.433 2.992 20 30 DFEDLO C#CCOc1ccc(CNCc2[nH+]c(C)n3c2CCCC3)cc1 ZINC000362636639 428797249 /nfs/dbraw/zinc/79/72/49/428797249.db2.gz PITKESOPLDGZGH-UHFFFAOYSA-N 1 2 309.413 2.830 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000359108232 428821197 /nfs/dbraw/zinc/82/11/97/428821197.db2.gz ZIZBIQXOMIHXJP-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000363091694 428856897 /nfs/dbraw/zinc/85/68/97/428856897.db2.gz HUZGPIBTADUIFN-CYBMUJFWSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000363091694 428856901 /nfs/dbraw/zinc/85/69/01/428856901.db2.gz HUZGPIBTADUIFN-CYBMUJFWSA-N 1 2 300.337 2.768 20 30 DFEDLO C[C@@H](CCO)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000419226486 428928345 /nfs/dbraw/zinc/92/83/45/428928345.db2.gz JALOTRLTPHMOTI-ZDUSSCGKSA-N 1 2 301.415 2.788 20 30 DFEDLO C[C@@H](CCO)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000419226486 428928348 /nfs/dbraw/zinc/92/83/48/428928348.db2.gz JALOTRLTPHMOTI-ZDUSSCGKSA-N 1 2 301.415 2.788 20 30 DFEDLO CC(C)(C)c1ccncc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419320018 428930406 /nfs/dbraw/zinc/93/04/06/428930406.db2.gz WYCAIPAIAFELAM-QGZVFWFLSA-N 1 2 322.412 2.567 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000419300641 428932484 /nfs/dbraw/zinc/93/24/84/428932484.db2.gz MJSGZNDUKMWFAE-GDBMZVCRSA-N 1 2 316.401 2.567 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C#N)c1)C2 ZINC000354293141 428959486 /nfs/dbraw/zinc/95/94/86/428959486.db2.gz HSIJJKHTVPEVMU-HNNXBMFYSA-N 1 2 322.412 2.826 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C#N)c1)CC2 ZINC000354293141 428959489 /nfs/dbraw/zinc/95/94/89/428959489.db2.gz HSIJJKHTVPEVMU-HNNXBMFYSA-N 1 2 322.412 2.826 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000363678937 428967523 /nfs/dbraw/zinc/96/75/23/428967523.db2.gz NVRYSDRHZWDOIC-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000363678937 428967529 /nfs/dbraw/zinc/96/75/29/428967529.db2.gz NVRYSDRHZWDOIC-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433306451 429024293 /nfs/dbraw/zinc/02/42/93/429024293.db2.gz RDXYNTVUHGEPGN-HNNXBMFYSA-N 1 2 301.434 2.524 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433306451 429024296 /nfs/dbraw/zinc/02/42/96/429024296.db2.gz RDXYNTVUHGEPGN-HNNXBMFYSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[C@@H]1C[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](CC)O1 ZINC000420959220 428974063 /nfs/dbraw/zinc/97/40/63/428974063.db2.gz PYDCBHDRLKSFJB-HZPDHXFCSA-N 1 2 321.465 2.561 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354394273 428982449 /nfs/dbraw/zinc/98/24/49/428982449.db2.gz KPXFRLQNEHRGBV-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354394273 428982456 /nfs/dbraw/zinc/98/24/56/428982456.db2.gz KPXFRLQNEHRGBV-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC000421348045 428990223 /nfs/dbraw/zinc/99/02/23/428990223.db2.gz VZOJRPYSNISONF-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834703 428990551 /nfs/dbraw/zinc/99/05/51/428990551.db2.gz JDRPFQFJYNEZEU-UKRRQHHQSA-N 1 2 301.390 2.567 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834703 428990556 /nfs/dbraw/zinc/99/05/56/428990556.db2.gz JDRPFQFJYNEZEU-UKRRQHHQSA-N 1 2 301.390 2.567 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H]1CCC[C@H]1C#N)Cc1ccccc1Cl ZINC000354473596 428992407 /nfs/dbraw/zinc/99/24/07/428992407.db2.gz GLOVAPHTXNPMMQ-BBRMVZONSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H]1CCC[C@H]1C#N)Cc1ccccc1Cl ZINC000354473596 428992413 /nfs/dbraw/zinc/99/24/13/428992413.db2.gz GLOVAPHTXNPMMQ-BBRMVZONSA-N 1 2 319.836 2.970 20 30 DFEDLO Cc1c(Cl)cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000376041921 429048135 /nfs/dbraw/zinc/04/81/35/429048135.db2.gz BKDZFXBOWBPYCJ-CYBMUJFWSA-N 1 2 314.776 2.968 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000376167758 429069814 /nfs/dbraw/zinc/06/98/14/429069814.db2.gz QYLADIZBVJEWRU-GFCCVEGCSA-N 1 2 315.402 2.509 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000376167758 429069818 /nfs/dbraw/zinc/06/98/18/429069818.db2.gz QYLADIZBVJEWRU-GFCCVEGCSA-N 1 2 315.402 2.509 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452202701 429084045 /nfs/dbraw/zinc/08/40/45/429084045.db2.gz BNESIEYFYATZLF-ZBEGNZNMSA-N 1 2 314.776 2.692 20 30 DFEDLO COCC[N@H+](Cc1cc(C#N)cs1)Cc1c(C)nn(C)c1C ZINC000453602878 429153180 /nfs/dbraw/zinc/15/31/80/429153180.db2.gz ADLKQTZQIBAEIF-UHFFFAOYSA-N 1 2 318.446 2.619 20 30 DFEDLO COCC[N@@H+](Cc1cc(C#N)cs1)Cc1c(C)nn(C)c1C ZINC000453602878 429153188 /nfs/dbraw/zinc/15/31/88/429153188.db2.gz ADLKQTZQIBAEIF-UHFFFAOYSA-N 1 2 318.446 2.619 20 30 DFEDLO N#Cc1cccc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)n1 ZINC000358264132 274927975 /nfs/dbraw/zinc/92/79/75/274927975.db2.gz KNBGGTGMJJVHIF-UHFFFAOYSA-N 1 2 319.343 2.841 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)s1)Cc1c(C)nn(C)c1C ZINC000453603261 429153281 /nfs/dbraw/zinc/15/32/81/429153281.db2.gz ATUDKTZVTCCLRC-UHFFFAOYSA-N 1 2 318.446 2.619 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)s1)Cc1c(C)nn(C)c1C ZINC000453603261 429153287 /nfs/dbraw/zinc/15/32/87/429153287.db2.gz ATUDKTZVTCCLRC-UHFFFAOYSA-N 1 2 318.446 2.619 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000412848148 429109838 /nfs/dbraw/zinc/10/98/38/429109838.db2.gz YQDBWWYQNJWDAI-IAGOWNOFSA-N 1 2 309.413 2.749 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000434881209 429115136 /nfs/dbraw/zinc/11/51/36/429115136.db2.gz TXKVRFQWSNULCR-IBGZPJMESA-N 1 2 320.392 2.777 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC(n4cc[nH+]c4)CC3)CC2)c1 ZINC000435006765 429118427 /nfs/dbraw/zinc/11/84/27/429118427.db2.gz BHGFMWUUNFIKOB-UHFFFAOYSA-N 1 2 320.396 2.650 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)nn1 ZINC000424297701 429121256 /nfs/dbraw/zinc/12/12/56/429121256.db2.gz RDYUVSXOPNXKJJ-HNNXBMFYSA-N 1 2 306.797 2.595 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)nn1 ZINC000424292725 429121697 /nfs/dbraw/zinc/12/16/97/429121697.db2.gz HEPMDBQMDXQFBL-HNNXBMFYSA-N 1 2 322.416 2.560 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)nn1 ZINC000424300415 429123335 /nfs/dbraw/zinc/12/33/35/429123335.db2.gz XLPQMYUZVMMDAH-NSHDSACASA-N 1 2 306.797 2.977 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)nn1 ZINC000424301034 429123411 /nfs/dbraw/zinc/12/34/11/429123411.db2.gz ZEZSKCGVBLDLFM-GFCCVEGCSA-N 1 2 308.307 2.659 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)nn1 ZINC000424297932 429123593 /nfs/dbraw/zinc/12/35/93/429123593.db2.gz RLPJTBTYAUFFOO-NSHDSACASA-N 1 2 306.797 2.977 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376510195 429125635 /nfs/dbraw/zinc/12/56/35/429125635.db2.gz BXJUCQZKCDGCFI-GOSISDBHSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376510195 429125638 /nfs/dbraw/zinc/12/56/38/429125638.db2.gz BXJUCQZKCDGCFI-GOSISDBHSA-N 1 2 311.360 2.883 20 30 DFEDLO CC(C)(C)Oc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC000452654378 429135566 /nfs/dbraw/zinc/13/55/66/429135566.db2.gz CSZCQHBMETXGDG-UHFFFAOYSA-N 1 2 312.373 2.961 20 30 DFEDLO C=C(CC)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454296763 429163630 /nfs/dbraw/zinc/16/36/30/429163630.db2.gz COGDOEFGBVARRG-UHFFFAOYSA-N 1 2 312.417 2.739 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454337492 429164475 /nfs/dbraw/zinc/16/44/75/429164475.db2.gz NPHTXELQUSYXNT-UHFFFAOYSA-N 1 2 312.417 2.943 20 30 DFEDLO C=CCC1(C(=O)NCCCCNc2cccc[nH+]2)CCOCC1 ZINC000424638368 429168570 /nfs/dbraw/zinc/16/85/70/429168570.db2.gz FKMIVFKSNVBSKY-UHFFFAOYSA-N 1 2 317.433 2.763 20 30 DFEDLO N#Cc1ccc(SCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000364093151 429169582 /nfs/dbraw/zinc/16/95/82/429169582.db2.gz KDASIQGGLUEXQP-AWEZNQCLSA-N 1 2 312.398 2.737 20 30 DFEDLO C=CCC1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CCOCC1 ZINC000424663546 429170944 /nfs/dbraw/zinc/17/09/44/429170944.db2.gz KITIJSACMOPDDL-UHFFFAOYSA-N 1 2 313.401 2.632 20 30 DFEDLO Cc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)ccc1C#N ZINC000488163293 429176676 /nfs/dbraw/zinc/17/66/76/429176676.db2.gz FEGXFHJAIZGYKK-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)ccc1C#N ZINC000488163293 429176678 /nfs/dbraw/zinc/17/66/78/429176678.db2.gz FEGXFHJAIZGYKK-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CC(C)C)CCOCC1 ZINC000424694923 429177287 /nfs/dbraw/zinc/17/72/87/429177287.db2.gz XCZAOQHETZIAID-UHFFFAOYSA-N 1 2 305.422 2.528 20 30 DFEDLO C=C(CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000488907489 429206810 /nfs/dbraw/zinc/20/68/10/429206810.db2.gz FQQASECQKSPAOP-ROUUACIJSA-N 1 2 316.445 2.705 20 30 DFEDLO C=C(CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000488907489 429206815 /nfs/dbraw/zinc/20/68/15/429206815.db2.gz FQQASECQKSPAOP-ROUUACIJSA-N 1 2 316.445 2.705 20 30 DFEDLO N#CCc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000455921851 429224972 /nfs/dbraw/zinc/22/49/72/429224972.db2.gz PUUROJNQYYXGCB-UHFFFAOYSA-N 1 2 323.400 2.650 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440528519 429225145 /nfs/dbraw/zinc/22/51/45/429225145.db2.gz STHAZKVJKCGMEU-CYBMUJFWSA-N 1 2 318.384 2.600 20 30 DFEDLO COCC[N@H+](Cc1scnc1C)Cc1ccccc1C#N ZINC000489398059 429238936 /nfs/dbraw/zinc/23/89/36/429238936.db2.gz HMRUWBNOFLTZKX-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1C#N ZINC000489398059 429238938 /nfs/dbraw/zinc/23/89/38/429238938.db2.gz HMRUWBNOFLTZKX-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccsc1C(=O)OC ZINC000489440072 429242951 /nfs/dbraw/zinc/24/29/51/429242951.db2.gz ORFRLKXKNMXJBC-LLVKDONJSA-N 1 2 308.403 2.514 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccsc1C(=O)OC ZINC000489440072 429242954 /nfs/dbraw/zinc/24/29/54/429242954.db2.gz ORFRLKXKNMXJBC-LLVKDONJSA-N 1 2 308.403 2.514 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000489456996 429244974 /nfs/dbraw/zinc/24/49/74/429244974.db2.gz AZLNQQGERQWCDY-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000489456996 429244977 /nfs/dbraw/zinc/24/49/77/429244977.db2.gz AZLNQQGERQWCDY-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)ccc1OC ZINC000489506420 429247884 /nfs/dbraw/zinc/24/78/84/429247884.db2.gz GVYOEOHMGSNDOG-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)ccc1OC ZINC000489506420 429247888 /nfs/dbraw/zinc/24/78/88/429247888.db2.gz GVYOEOHMGSNDOG-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO Cc1cc(N[C@H]2CCCN(c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425243694 429250690 /nfs/dbraw/zinc/25/06/90/429250690.db2.gz FQSATHVHSPUMCU-HNNXBMFYSA-N 1 2 310.376 2.904 20 30 DFEDLO Cc1cc(N[C@@H]2CCCN(c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425243695 429251810 /nfs/dbraw/zinc/25/18/10/429251810.db2.gz FQSATHVHSPUMCU-OAHLLOKOSA-N 1 2 310.376 2.904 20 30 DFEDLO Cc1cc(N2CCN(CC(F)(F)F)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425266578 429254385 /nfs/dbraw/zinc/25/43/85/429254385.db2.gz IEWAJIJPSPTNHI-NSHDSACASA-N 1 2 312.339 2.582 20 30 DFEDLO C=CCN(CCOC)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425282044 429257622 /nfs/dbraw/zinc/25/76/22/429257622.db2.gz MVFWNOOZJBQUBH-INIZCTEOSA-N 1 2 313.401 2.593 20 30 DFEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444298291 429268481 /nfs/dbraw/zinc/26/84/81/429268481.db2.gz NBUQMLVSQHECRV-UHFFFAOYSA-N 1 2 321.384 2.907 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444694351 429274836 /nfs/dbraw/zinc/27/48/36/429274836.db2.gz CIUUAZYWAAZFGI-NSHDSACASA-N 1 2 323.799 2.862 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444694351 429274839 /nfs/dbraw/zinc/27/48/39/429274839.db2.gz CIUUAZYWAAZFGI-NSHDSACASA-N 1 2 323.799 2.862 20 30 DFEDLO C=CC[C@@H]1[N@@H+](Cc2nnnn2CC(F)(F)F)CCCC1(C)C ZINC000444784389 429276624 /nfs/dbraw/zinc/27/66/24/429276624.db2.gz VLDOUSJYLYDDNN-NSHDSACASA-N 1 2 317.359 2.802 20 30 DFEDLO C=CC[C@@H]1[N@H+](Cc2nnnn2CC(F)(F)F)CCCC1(C)C ZINC000444784389 429276630 /nfs/dbraw/zinc/27/66/30/429276630.db2.gz VLDOUSJYLYDDNN-NSHDSACASA-N 1 2 317.359 2.802 20 30 DFEDLO Cc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000444740388 429277625 /nfs/dbraw/zinc/27/76/25/429277625.db2.gz FYVSQBQKXZQCDH-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000444740388 429277628 /nfs/dbraw/zinc/27/76/28/429277628.db2.gz FYVSQBQKXZQCDH-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927633 429321803 /nfs/dbraw/zinc/32/18/03/429321803.db2.gz IWQHGRPKSGXBDO-KBXCAEBGSA-N 1 2 312.417 2.628 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000503597912 429333699 /nfs/dbraw/zinc/33/36/99/429333699.db2.gz MTMUFGGBKPOAGQ-IBGZPJMESA-N 1 2 322.408 2.783 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491210421 429334981 /nfs/dbraw/zinc/33/49/81/429334981.db2.gz UBRXSPXMSGQIQC-UHFFFAOYSA-N 1 2 313.422 2.726 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491210421 429334987 /nfs/dbraw/zinc/33/49/87/429334987.db2.gz UBRXSPXMSGQIQC-UHFFFAOYSA-N 1 2 313.422 2.726 20 30 DFEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1F ZINC000491209057 429335576 /nfs/dbraw/zinc/33/55/76/429335576.db2.gz BJTPJTAZSYJPQD-ZDUSSCGKSA-N 1 2 315.739 2.942 20 30 DFEDLO C=CCC[C@@H](CO)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000456762810 429345203 /nfs/dbraw/zinc/34/52/03/429345203.db2.gz GLDAMDFJUVZWPC-HNNXBMFYSA-N 1 2 324.852 2.605 20 30 DFEDLO C=CCC[C@@H](CO)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000456762810 429345208 /nfs/dbraw/zinc/34/52/08/429345208.db2.gz GLDAMDFJUVZWPC-HNNXBMFYSA-N 1 2 324.852 2.605 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)[C@H](C)O1 ZINC000446066713 429295850 /nfs/dbraw/zinc/29/58/50/429295850.db2.gz CDYFXKHFNDTYBJ-UPJWGTAASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)[C@H](C)O1 ZINC000446066713 429295857 /nfs/dbraw/zinc/29/58/57/429295857.db2.gz CDYFXKHFNDTYBJ-UPJWGTAASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446085464 429295933 /nfs/dbraw/zinc/29/59/33/429295933.db2.gz WMKILYVIMQSSML-UTUOFQBUSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446085464 429295940 /nfs/dbraw/zinc/29/59/40/429295940.db2.gz WMKILYVIMQSSML-UTUOFQBUSA-N 1 2 321.808 2.648 20 30 DFEDLO N#Cc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cn1 ZINC000446099368 429298268 /nfs/dbraw/zinc/29/82/68/429298268.db2.gz LZWYGCYJIVJGMZ-UHFFFAOYSA-N 1 2 321.315 2.662 20 30 DFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(F)F ZINC000495960068 429301483 /nfs/dbraw/zinc/30/14/83/429301483.db2.gz DVSRKPZVRMSLPL-TUAOUCFPSA-N 1 2 317.380 2.817 20 30 DFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(F)F ZINC000495960067 429301749 /nfs/dbraw/zinc/30/17/49/429301749.db2.gz DVSRKPZVRMSLPL-SRVKXCTJSA-N 1 2 317.380 2.817 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000456421597 429302355 /nfs/dbraw/zinc/30/23/55/429302355.db2.gz NMWKIKSIVIMEEB-IUODEOHRSA-N 1 2 306.369 2.609 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1cccc(C#N)c1F ZINC000447829464 429308129 /nfs/dbraw/zinc/30/81/29/429308129.db2.gz IEDHHNJGMHLAPD-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1cccc(C#N)c1F ZINC000447829464 429308130 /nfs/dbraw/zinc/30/81/30/429308130.db2.gz IEDHHNJGMHLAPD-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000490830998 429309286 /nfs/dbraw/zinc/30/92/86/429309286.db2.gz OWPOCBSSUDYGIT-UHFFFAOYSA-N 1 2 310.401 2.812 20 30 DFEDLO C=CCCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000447954949 429309279 /nfs/dbraw/zinc/30/92/79/429309279.db2.gz NJJINRMDDGEOIX-CQSZACIVSA-N 1 2 311.376 2.833 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1C#N ZINC000365401013 429313176 /nfs/dbraw/zinc/31/31/76/429313176.db2.gz CJGWNMDWGRPLBC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1C#N ZINC000365401013 429313180 /nfs/dbraw/zinc/31/31/80/429313180.db2.gz CJGWNMDWGRPLBC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO COc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000365401013 429313183 /nfs/dbraw/zinc/31/31/83/429313183.db2.gz CJGWNMDWGRPLBC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccc(F)cc1 ZINC000490950637 429315029 /nfs/dbraw/zinc/31/50/29/429315029.db2.gz RDTGOMKAIKMJOY-UHFFFAOYSA-N 1 2 300.333 2.576 20 30 DFEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccc(F)cc1 ZINC000490950637 429315032 /nfs/dbraw/zinc/31/50/32/429315032.db2.gz RDTGOMKAIKMJOY-UHFFFAOYSA-N 1 2 300.333 2.576 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425531778 429317768 /nfs/dbraw/zinc/31/77/68/429317768.db2.gz HWZMDJLDGFTPQC-GFCCVEGCSA-N 1 2 314.414 2.955 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425531778 429317772 /nfs/dbraw/zinc/31/77/72/429317772.db2.gz HWZMDJLDGFTPQC-GFCCVEGCSA-N 1 2 314.414 2.955 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000491704879 429393948 /nfs/dbraw/zinc/39/39/48/429393948.db2.gz PPWQCFSFANIVHS-CYBMUJFWSA-N 1 2 300.233 2.922 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000491704879 429393951 /nfs/dbraw/zinc/39/39/51/429393951.db2.gz PPWQCFSFANIVHS-CYBMUJFWSA-N 1 2 300.233 2.922 20 30 DFEDLO C#C[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000491724577 429396933 /nfs/dbraw/zinc/39/69/33/429396933.db2.gz FXQOVAPUIMDPCN-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C#C[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000491724577 429396938 /nfs/dbraw/zinc/39/69/38/429396938.db2.gz FXQOVAPUIMDPCN-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000491732304 429398945 /nfs/dbraw/zinc/39/89/45/429398945.db2.gz HPGCCFRIZIYZOD-SECBINFHSA-N 1 2 314.288 2.658 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000491732304 429398948 /nfs/dbraw/zinc/39/89/48/429398948.db2.gz HPGCCFRIZIYZOD-SECBINFHSA-N 1 2 314.288 2.658 20 30 DFEDLO C#CCn1ccc(CN(CC)c2[nH+]c3ccc(F)cc3n2C)n1 ZINC000491732151 429398985 /nfs/dbraw/zinc/39/89/85/429398985.db2.gz QUSTWHGYXHZJRO-UHFFFAOYSA-N 1 2 311.364 2.569 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000491740174 429400320 /nfs/dbraw/zinc/40/03/20/429400320.db2.gz QSOPLZXVAYPUHQ-INIZCTEOSA-N 1 2 322.412 2.598 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000491740174 429400323 /nfs/dbraw/zinc/40/03/23/429400323.db2.gz QSOPLZXVAYPUHQ-INIZCTEOSA-N 1 2 322.412 2.598 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000491744915 429402106 /nfs/dbraw/zinc/40/21/06/429402106.db2.gz MMCPGKHOCHTWPN-MRXNPFEDSA-N 1 2 322.343 2.647 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c(C)cccc2C)n1 ZINC000491773735 429405056 /nfs/dbraw/zinc/40/50/56/429405056.db2.gz CARAPFKZBMQTPF-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c(C)cccc2C)n1 ZINC000491773735 429405060 /nfs/dbraw/zinc/40/50/60/429405060.db2.gz CARAPFKZBMQTPF-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000491396014 429356057 /nfs/dbraw/zinc/35/60/57/429356057.db2.gz WFZONKOOFXXYQN-KRWDZBQOSA-N 1 2 324.428 2.731 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccccc2C#N)c[nH+]1 ZINC000456859754 429358077 /nfs/dbraw/zinc/35/80/77/429358077.db2.gz NDHSSQHLGLNAPI-AWEZNQCLSA-N 1 2 309.369 2.654 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000491507792 429367073 /nfs/dbraw/zinc/36/70/73/429367073.db2.gz XDGGQOACHYLKGD-ZDUSSCGKSA-N 1 2 312.369 2.972 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000491507792 429367076 /nfs/dbraw/zinc/36/70/76/429367076.db2.gz XDGGQOACHYLKGD-ZDUSSCGKSA-N 1 2 312.369 2.972 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000491505862 429367994 /nfs/dbraw/zinc/36/79/94/429367994.db2.gz MVFMBTLHJCFHSM-ZHACJKMWSA-N 1 2 320.396 2.975 20 30 DFEDLO C#C[C@@H]1COCC[N@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491796029 429410217 /nfs/dbraw/zinc/41/02/17/429410217.db2.gz YJXNGIDIGSJHRD-QGZVFWFLSA-N 1 2 314.429 2.665 20 30 DFEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491796029 429410221 /nfs/dbraw/zinc/41/02/21/429410221.db2.gz YJXNGIDIGSJHRD-QGZVFWFLSA-N 1 2 314.429 2.665 20 30 DFEDLO C#CC[N@@H+](CN1Cc2cccnc2C1=O)[C@H]1CCc2ccccc21 ZINC000491556529 429373134 /nfs/dbraw/zinc/37/31/34/429373134.db2.gz YEDOUULQSZOYME-SFHVURJKSA-N 1 2 317.392 2.618 20 30 DFEDLO C#CC[N@H+](CN1Cc2cccnc2C1=O)[C@H]1CCc2ccccc21 ZINC000491556529 429373136 /nfs/dbraw/zinc/37/31/36/429373136.db2.gz YEDOUULQSZOYME-SFHVURJKSA-N 1 2 317.392 2.618 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491567419 429374660 /nfs/dbraw/zinc/37/46/60/429374660.db2.gz LAKHOLMURBBGHF-LBPRGKRZSA-N 1 2 316.792 2.689 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491623108 429379580 /nfs/dbraw/zinc/37/95/80/429379580.db2.gz FTWLAGYSXMASTC-ZDUSSCGKSA-N 1 2 313.401 2.686 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491623108 429379584 /nfs/dbraw/zinc/37/95/84/429379584.db2.gz FTWLAGYSXMASTC-ZDUSSCGKSA-N 1 2 313.401 2.686 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366228125 429438958 /nfs/dbraw/zinc/43/89/58/429438958.db2.gz LIKXTMTWWXYYDF-HOCLYGCPSA-N 1 2 308.385 2.773 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000366228125 429438962 /nfs/dbraw/zinc/43/89/62/429438962.db2.gz LIKXTMTWWXYYDF-HOCLYGCPSA-N 1 2 308.385 2.773 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000366401256 429448888 /nfs/dbraw/zinc/44/88/88/429448888.db2.gz INKPAXPOWJUSCG-IRXDYDNUSA-N 1 2 308.385 2.641 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366401256 429448891 /nfs/dbraw/zinc/44/88/91/429448891.db2.gz INKPAXPOWJUSCG-IRXDYDNUSA-N 1 2 308.385 2.641 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000491802361 429412472 /nfs/dbraw/zinc/41/24/72/429412472.db2.gz GGDSHFVSSMECGJ-JTQLQIEISA-N 1 2 305.428 2.764 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000491802361 429412476 /nfs/dbraw/zinc/41/24/76/429412476.db2.gz GGDSHFVSSMECGJ-JTQLQIEISA-N 1 2 305.428 2.764 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491816432 429414292 /nfs/dbraw/zinc/41/42/92/429414292.db2.gz WSFGZKMHMWXGDW-WFASDCNBSA-N 1 2 316.792 2.599 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000518371371 429419537 /nfs/dbraw/zinc/41/95/37/429419537.db2.gz STTWFRGXPPFAHL-KBPBESRZSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000518371371 429419539 /nfs/dbraw/zinc/41/95/39/429419539.db2.gz STTWFRGXPPFAHL-KBPBESRZSA-N 1 2 313.401 2.529 20 30 DFEDLO CC(C)c1nc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc[nH+]1 ZINC000366184453 429431453 /nfs/dbraw/zinc/43/14/53/429431453.db2.gz JPHZIPHIIHFAAE-CQSZACIVSA-N 1 2 309.373 2.524 20 30 DFEDLO C#CCOc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1 ZINC000366865714 429529132 /nfs/dbraw/zinc/52/91/32/429529132.db2.gz JCLSHMFPMCEIHO-UHFFFAOYSA-N 1 2 316.364 3.163 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000112671252 275761751 /nfs/dbraw/zinc/76/17/51/275761751.db2.gz MXIRTFYZZQXNOS-UHFFFAOYSA-N 1 2 308.385 2.614 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000366562943 429475751 /nfs/dbraw/zinc/47/57/51/429475751.db2.gz BKYGNPGQYPYBCE-OLZOCXBDSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000366562943 429475755 /nfs/dbraw/zinc/47/57/55/429475755.db2.gz BKYGNPGQYPYBCE-OLZOCXBDSA-N 1 2 304.228 2.555 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000366602419 429484644 /nfs/dbraw/zinc/48/46/44/429484644.db2.gz FJZZMNZTEQSGIG-AWEZNQCLSA-N 1 2 309.373 2.762 20 30 DFEDLO C[S@](=O)C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428348578 429513023 /nfs/dbraw/zinc/51/30/23/429513023.db2.gz MRJFLVQHVVVKLW-JTSKRJEESA-N 1 2 316.401 2.907 20 30 DFEDLO Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC000367024855 429560231 /nfs/dbraw/zinc/56/02/31/429560231.db2.gz UDDKZEOHOBKIHO-OAHLLOKOSA-N 1 2 322.412 2.695 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428951565 429563733 /nfs/dbraw/zinc/56/37/33/429563733.db2.gz JVPYRGNUUBLCKH-FHLIZLRMSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428951565 429563736 /nfs/dbraw/zinc/56/37/36/429563736.db2.gz JVPYRGNUUBLCKH-FHLIZLRMSA-N 1 2 318.392 2.713 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)n2c1 ZINC000521921432 429569872 /nfs/dbraw/zinc/56/98/72/429569872.db2.gz FSJWTMWEANSTQL-INIZCTEOSA-N 1 2 310.401 2.597 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC[C@@H]3CC3CCC3)n2c1 ZINC000521921432 429569875 /nfs/dbraw/zinc/56/98/75/429569875.db2.gz FSJWTMWEANSTQL-INIZCTEOSA-N 1 2 310.401 2.597 20 30 DFEDLO C=CCN(CC=C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000521009625 429536200 /nfs/dbraw/zinc/53/62/00/429536200.db2.gz QZNNCSBBUSXCKE-CQSZACIVSA-N 1 2 316.449 2.879 20 30 DFEDLO N#CCOc1ccc(/C=C\C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000492831680 429625857 /nfs/dbraw/zinc/62/58/57/429625857.db2.gz LSRVPZORBHLPDD-UTCJRWHESA-N 1 2 318.336 2.889 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450501255 429639593 /nfs/dbraw/zinc/63/95/93/429639593.db2.gz PLYLSJACVXAINS-CJNGLKHVSA-N 1 2 312.417 3.089 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429294835 429596990 /nfs/dbraw/zinc/59/69/90/429596990.db2.gz SHQZFWJOPIVSJC-ZBFHGGJFSA-N 1 2 318.442 2.847 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CSC)C1 ZINC000429294835 429596993 /nfs/dbraw/zinc/59/69/93/429596993.db2.gz SHQZFWJOPIVSJC-ZBFHGGJFSA-N 1 2 318.442 2.847 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000523449809 429606320 /nfs/dbraw/zinc/60/63/20/429606320.db2.gz YQBWVUDVLKAYIC-XIKOKIGWSA-N 1 2 315.392 2.553 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000523449809 429606323 /nfs/dbraw/zinc/60/63/23/429606323.db2.gz YQBWVUDVLKAYIC-XIKOKIGWSA-N 1 2 315.392 2.553 20 30 DFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccco3)CC2)cc1 ZINC000367296202 429614544 /nfs/dbraw/zinc/61/45/44/429614544.db2.gz OVEZFZYTBFCWEN-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccco3)CC2)cc1 ZINC000367296202 429614546 /nfs/dbraw/zinc/61/45/46/429614546.db2.gz OVEZFZYTBFCWEN-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC000367526278 429664979 /nfs/dbraw/zinc/66/49/79/429664979.db2.gz HGDJNCPDOCGFFD-CYBMUJFWSA-N 1 2 312.348 2.510 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000493011594 429666893 /nfs/dbraw/zinc/66/68/93/429666893.db2.gz AWWFTSOKWSHPQS-OOFWQKGWSA-N 1 2 319.364 2.646 20 30 DFEDLO CC1=C[C@H](C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266103 429668670 /nfs/dbraw/zinc/66/86/70/429668670.db2.gz GIYTVCKZXIYJGP-SMDDNHRTSA-N 1 2 301.415 2.623 20 30 DFEDLO CC1=C[C@H](C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266103 429668674 /nfs/dbraw/zinc/66/86/74/429668674.db2.gz GIYTVCKZXIYJGP-SMDDNHRTSA-N 1 2 301.415 2.623 20 30 DFEDLO CC1=C[C@@H](C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266095 429668917 /nfs/dbraw/zinc/66/89/17/429668917.db2.gz GIYTVCKZXIYJGP-BXUZGUMPSA-N 1 2 301.415 2.623 20 30 DFEDLO CC1=C[C@@H](C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266095 429668920 /nfs/dbraw/zinc/66/89/20/429668920.db2.gz GIYTVCKZXIYJGP-BXUZGUMPSA-N 1 2 301.415 2.623 20 30 DFEDLO C=CCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450690141 429677417 /nfs/dbraw/zinc/67/74/17/429677417.db2.gz GLLWMRDPPJVOJZ-UHFFFAOYSA-N 1 2 314.345 2.867 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000367558506 429672075 /nfs/dbraw/zinc/67/20/75/429672075.db2.gz CDIXZSRUEHUWBZ-UHFFFAOYSA-N 1 2 315.373 2.597 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000367558506 429672077 /nfs/dbraw/zinc/67/20/77/429672077.db2.gz CDIXZSRUEHUWBZ-UHFFFAOYSA-N 1 2 315.373 2.597 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493119094 429692406 /nfs/dbraw/zinc/69/24/06/429692406.db2.gz GKRRISBGTSXHBO-TWGQIWQCSA-N 1 2 308.385 2.894 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000472324912 429714211 /nfs/dbraw/zinc/71/42/11/429714211.db2.gz IXDKNIBEYPAAEO-MSOLQXFVSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000472324912 429714215 /nfs/dbraw/zinc/71/42/15/429714215.db2.gz IXDKNIBEYPAAEO-MSOLQXFVSA-N 1 2 317.408 2.919 20 30 DFEDLO C=CCCCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000474082920 429714691 /nfs/dbraw/zinc/71/46/91/429714691.db2.gz MMQDIBUCDSXSOZ-UHFFFAOYSA-N 1 2 312.417 3.302 20 30 DFEDLO C=CC1CCN(c2nc(C)[nH+]c(N3CCC(C=C)CC3)n2)CC1 ZINC000480134305 429721322 /nfs/dbraw/zinc/72/13/22/429721322.db2.gz KZKDCPMKZWJCBV-UHFFFAOYSA-N 1 2 313.449 2.985 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)OC ZINC000482441446 429725806 /nfs/dbraw/zinc/72/58/06/429725806.db2.gz VECIBASYQRWBSP-ULQDDVLXSA-N 1 2 321.392 2.796 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 ZINC000527127615 429726268 /nfs/dbraw/zinc/72/62/68/429726268.db2.gz RFSKVRNLZSIJMU-CYBMUJFWSA-N 1 2 324.384 2.555 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccc2ccccc12 ZINC000493306535 429733803 /nfs/dbraw/zinc/73/38/03/429733803.db2.gz RZYRYFALRLTIAY-CVTTXWKISA-N 1 2 307.397 2.813 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C\c2cccc(C#N)c2)CC1(C)C ZINC000493493740 429773745 /nfs/dbraw/zinc/77/37/45/429773745.db2.gz UBRHHGXOABFZQQ-ZPUOCTKUSA-N 1 2 320.396 2.915 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)nn1 ZINC000527910434 429819128 /nfs/dbraw/zinc/81/91/28/429819128.db2.gz OHSXOBFPNUJGIC-AWEZNQCLSA-N 1 2 322.416 2.715 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000528072069 429843127 /nfs/dbraw/zinc/84/31/27/429843127.db2.gz BDTKQJSTETXAPR-AWEZNQCLSA-N 1 2 304.438 2.700 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000528072069 429843131 /nfs/dbraw/zinc/84/31/31/429843131.db2.gz BDTKQJSTETXAPR-AWEZNQCLSA-N 1 2 304.438 2.700 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494226942 429859967 /nfs/dbraw/zinc/85/99/67/429859967.db2.gz LGVZVCPIIGYMRF-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494226942 429859969 /nfs/dbraw/zinc/85/99/69/429859969.db2.gz LGVZVCPIIGYMRF-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cccc(F)c2)c1F ZINC000494261770 429862891 /nfs/dbraw/zinc/86/28/91/429862891.db2.gz ILTVAHTTWKUULD-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cccc(F)c2)c1F ZINC000494261770 429862893 /nfs/dbraw/zinc/86/28/93/429862893.db2.gz ILTVAHTTWKUULD-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494281052 429864908 /nfs/dbraw/zinc/86/49/08/429864908.db2.gz BALYZKAEUVCYRG-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494281052 429864909 /nfs/dbraw/zinc/86/49/09/429864909.db2.gz BALYZKAEUVCYRG-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000528372107 429881744 /nfs/dbraw/zinc/88/17/44/429881744.db2.gz NPMSIWLEIVVXLJ-CJNGLKHVSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000528372107 429881747 /nfs/dbraw/zinc/88/17/47/429881747.db2.gz NPMSIWLEIVVXLJ-CJNGLKHVSA-N 1 2 320.820 2.768 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774662 429892735 /nfs/dbraw/zinc/89/27/35/429892735.db2.gz JAGFXQUVRCDCAY-CQSZACIVSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774662 429892736 /nfs/dbraw/zinc/89/27/36/429892736.db2.gz JAGFXQUVRCDCAY-CQSZACIVSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000368802950 429894859 /nfs/dbraw/zinc/89/48/59/429894859.db2.gz UUNXOKZVXHJUFM-UHFFFAOYSA-N 1 2 322.836 2.525 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000368802950 429894860 /nfs/dbraw/zinc/89/48/60/429894860.db2.gz UUNXOKZVXHJUFM-UHFFFAOYSA-N 1 2 322.836 2.525 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368846106 429898091 /nfs/dbraw/zinc/89/80/91/429898091.db2.gz QNFPWNUUDOGWQC-LBPRGKRZSA-N 1 2 315.211 2.791 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368846106 429898093 /nfs/dbraw/zinc/89/80/93/429898093.db2.gz QNFPWNUUDOGWQC-LBPRGKRZSA-N 1 2 315.211 2.791 20 30 DFEDLO C[NH+](C)[C@]1(C(=O)Nc2cccc(C#N)c2)CCOc2ccccc21 ZINC000369087185 429911887 /nfs/dbraw/zinc/91/18/87/429911887.db2.gz FJTHLUULEMQZMD-LJQANCHMSA-N 1 2 321.380 2.736 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncccc1F ZINC000528826735 429918835 /nfs/dbraw/zinc/91/88/35/429918835.db2.gz HIINTEWLTBJUGJ-LRDDRELGSA-N 1 2 324.359 2.548 20 30 DFEDLO CCc1nc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369206404 429919099 /nfs/dbraw/zinc/91/90/99/429919099.db2.gz VLVDNEPUQSVYFI-CQSZACIVSA-N 1 2 318.421 2.869 20 30 DFEDLO CCc1nc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369206404 429919100 /nfs/dbraw/zinc/91/91/00/429919100.db2.gz VLVDNEPUQSVYFI-CQSZACIVSA-N 1 2 318.421 2.869 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000639632092 429925453 /nfs/dbraw/zinc/92/54/53/429925453.db2.gz VSWURCRBLQLPKZ-CQSZACIVSA-N 1 2 312.373 2.584 20 30 DFEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000639724618 429959349 /nfs/dbraw/zinc/95/93/49/429959349.db2.gz AZNSEVRKEPTENX-QWRGUYRKSA-N 1 2 313.357 2.854 20 30 DFEDLO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558118996 429963133 /nfs/dbraw/zinc/96/31/33/429963133.db2.gz VTFVJMPRTIFKAZ-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558118996 429963134 /nfs/dbraw/zinc/96/31/34/429963134.db2.gz VTFVJMPRTIFKAZ-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO CCOC[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529664828 430047578 /nfs/dbraw/zinc/04/75/78/430047578.db2.gz DYKXQQSLQAXKMP-GOSISDBHSA-N 1 2 318.417 2.606 20 30 DFEDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529664828 430047582 /nfs/dbraw/zinc/04/75/82/430047582.db2.gz DYKXQQSLQAXKMP-GOSISDBHSA-N 1 2 318.417 2.606 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000574252802 430025885 /nfs/dbraw/zinc/02/58/85/430025885.db2.gz TURFITRQEODQCZ-QGZVFWFLSA-N 1 2 322.368 2.833 20 30 DFEDLO C[C@@H](CSCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576044449 430101928 /nfs/dbraw/zinc/10/19/28/430101928.db2.gz UAPDQFYYXBNWFB-YOEHRIQHSA-N 1 2 319.474 2.516 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000577276046 430112135 /nfs/dbraw/zinc/11/21/35/430112135.db2.gz VTTJJGYJFVGAMO-SFHVURJKSA-N 1 2 321.424 2.876 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000577276046 430112141 /nfs/dbraw/zinc/11/21/41/430112141.db2.gz VTTJJGYJFVGAMO-SFHVURJKSA-N 1 2 321.424 2.876 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000575069623 430054385 /nfs/dbraw/zinc/05/43/85/430054385.db2.gz CSRZVZAJRSCDBW-SNVBAGLBSA-N 1 2 306.366 2.656 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000575183993 430055655 /nfs/dbraw/zinc/05/56/55/430055655.db2.gz WCPGZHUWROOKJU-UUMMVJRDSA-N 1 2 303.450 2.553 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000532124966 430152292 /nfs/dbraw/zinc/15/22/92/430152292.db2.gz TVCDUWNBZBLQLZ-LSDHHAIUSA-N 1 2 305.422 2.874 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000532124966 430152297 /nfs/dbraw/zinc/15/22/97/430152297.db2.gz TVCDUWNBZBLQLZ-LSDHHAIUSA-N 1 2 305.422 2.874 20 30 DFEDLO Cc1csc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000581019628 430171096 /nfs/dbraw/zinc/17/10/96/430171096.db2.gz LKYCOVBHETWATO-KOLCDFICSA-N 1 2 301.375 2.952 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000563220860 430180220 /nfs/dbraw/zinc/18/02/20/430180220.db2.gz XECHQSPJSBAWQO-IBGZPJMESA-N 1 2 322.412 2.686 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000580090424 430128933 /nfs/dbraw/zinc/12/89/33/430128933.db2.gz UDEGDPWUQGWQAU-NVXWUHKLSA-N 1 2 305.397 2.921 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2nccc(C#N)c2Cl)CC1(C)C ZINC000562539523 430144358 /nfs/dbraw/zinc/14/43/58/430144358.db2.gz OJBQOZUHFURMHP-LBPRGKRZSA-N 1 2 301.781 2.928 20 30 DFEDLO CC1CC(C#N)(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000531807953 430149279 /nfs/dbraw/zinc/14/92/79/430149279.db2.gz UJJMFVQBUFEXGN-UHFFFAOYSA-N 1 2 322.412 2.530 20 30 DFEDLO CC1CC(C#N)(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000531809083 430149652 /nfs/dbraw/zinc/14/96/52/430149652.db2.gz NGXPTGPGKILKIK-VMPITWQZSA-N 1 2 323.440 2.784 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000581166797 430181979 /nfs/dbraw/zinc/18/19/79/430181979.db2.gz OTVPDZZYCWLKLJ-SFHVURJKSA-N 1 2 317.392 2.632 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000581166797 430181985 /nfs/dbraw/zinc/18/19/85/430181985.db2.gz OTVPDZZYCWLKLJ-SFHVURJKSA-N 1 2 317.392 2.632 20 30 DFEDLO CC[C@H](C(=O)Nc1ccccc1CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000563397416 430187056 /nfs/dbraw/zinc/18/70/56/430187056.db2.gz HAAXNXJWODUAGV-NVXWUHKLSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1ccccc1CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000563397416 430187062 /nfs/dbraw/zinc/18/70/62/430187062.db2.gz HAAXNXJWODUAGV-NVXWUHKLSA-N 1 2 315.417 2.581 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(F)c(Cl)c2)nn1 ZINC000640991913 430296319 /nfs/dbraw/zinc/29/63/19/430296319.db2.gz XXYVZDAVAJRQBN-LLVKDONJSA-N 1 2 306.772 2.793 20 30 DFEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000641181336 430355540 /nfs/dbraw/zinc/35/55/40/430355540.db2.gz XNLOMCXXSSKSGP-SJLPKXTDSA-N 1 2 308.429 2.975 20 30 DFEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)oc2c1c(C)ccc2C ZINC000568516940 430367843 /nfs/dbraw/zinc/36/78/43/430367843.db2.gz UDPRNULZWNUENU-GOSISDBHSA-N 1 2 313.401 2.932 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000568833022 430395989 /nfs/dbraw/zinc/39/59/89/430395989.db2.gz OFNYSNODYWDODA-ZNMIVQPWSA-N 1 2 302.422 2.858 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000568833022 430395993 /nfs/dbraw/zinc/39/59/93/430395993.db2.gz OFNYSNODYWDODA-ZNMIVQPWSA-N 1 2 302.422 2.858 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000548485444 430480931 /nfs/dbraw/zinc/48/09/31/430480931.db2.gz AARMEJQDHOIEHC-MRXNPFEDSA-N 1 2 317.820 2.798 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000548485444 430480933 /nfs/dbraw/zinc/48/09/33/430480933.db2.gz AARMEJQDHOIEHC-MRXNPFEDSA-N 1 2 317.820 2.798 20 30 DFEDLO CCN(CC)c1ccc(CNc2nc(C#N)c(Cl)s2)c[nH+]1 ZINC000596078753 430505985 /nfs/dbraw/zinc/50/59/85/430505985.db2.gz ZHBIYDCKLIZGMA-UHFFFAOYSA-N 1 2 321.837 3.521 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639112467 430530775 /nfs/dbraw/zinc/53/07/75/430530775.db2.gz QUPHGTLRHMPGHE-LBPRGKRZSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639112467 430530778 /nfs/dbraw/zinc/53/07/78/430530778.db2.gz QUPHGTLRHMPGHE-LBPRGKRZSA-N 1 2 314.838 2.528 20 30 DFEDLO N#CC1(CC[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCCCC1 ZINC000570298602 430532085 /nfs/dbraw/zinc/53/20/85/430532085.db2.gz MAGJVOYDPFRIIY-CYBMUJFWSA-N 1 2 303.410 2.554 20 30 DFEDLO N#CC1(CC[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCCCC1 ZINC000570298602 430532090 /nfs/dbraw/zinc/53/20/90/430532090.db2.gz MAGJVOYDPFRIIY-CYBMUJFWSA-N 1 2 303.410 2.554 20 30 DFEDLO COc1ccc(NCc2cccn2Cc2ccccc2C#N)[nH+]c1 ZINC000615132844 430579695 /nfs/dbraw/zinc/57/96/95/430579695.db2.gz JULXWQRHQLQABM-UHFFFAOYSA-N 1 2 318.380 3.424 20 30 DFEDLO C[C@@H](C#N)C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000571643304 430643241 /nfs/dbraw/zinc/64/32/41/430643241.db2.gz KXRSGPPLBYZYCT-ZDUSSCGKSA-N 1 2 308.385 2.973 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000571643304 430643243 /nfs/dbraw/zinc/64/32/43/430643243.db2.gz KXRSGPPLBYZYCT-ZDUSSCGKSA-N 1 2 308.385 2.973 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000555264380 430664870 /nfs/dbraw/zinc/66/48/70/430664870.db2.gz IMZJSLRNKYGVAJ-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)[nH]1 ZINC000556626904 430687431 /nfs/dbraw/zinc/68/74/31/430687431.db2.gz RBVIGEARTRNKRQ-RYUDHWBXSA-N 1 2 323.404 2.688 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)nn1 ZINC000657745214 430724386 /nfs/dbraw/zinc/72/43/86/430724386.db2.gz HGPLXOFMLQDIQR-ZWKOTPCHSA-N 1 2 314.433 2.702 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533343 430751703 /nfs/dbraw/zinc/75/17/03/430751703.db2.gz BPJFQMGVXMWOHW-NEPJUHHUSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533343 430751706 /nfs/dbraw/zinc/75/17/06/430751706.db2.gz BPJFQMGVXMWOHW-NEPJUHHUSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665386228 430917661 /nfs/dbraw/zinc/91/76/61/430917661.db2.gz RXLFBWOTEYHAHY-CVEARBPZSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665393403 430921236 /nfs/dbraw/zinc/92/12/36/430921236.db2.gz WHOSMNZGMLLVIL-ZIAGYGMSSA-N 1 2 302.422 2.623 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292407127 335089399 /nfs/dbraw/zinc/08/93/99/335089399.db2.gz YRWXDRHJKSCXSX-QGZVFWFLSA-N 1 2 316.445 2.606 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292407127 335089401 /nfs/dbraw/zinc/08/94/01/335089401.db2.gz YRWXDRHJKSCXSX-QGZVFWFLSA-N 1 2 316.445 2.606 20 30 DFEDLO C=CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033435 431095570 /nfs/dbraw/zinc/09/55/70/431095570.db2.gz PMTHALBTKYWBNI-UHFFFAOYSA-N 1 2 300.362 2.660 20 30 DFEDLO C=C(CC)C[N@@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000649654344 431218079 /nfs/dbraw/zinc/21/80/79/431218079.db2.gz JCPALXGZNRDNIJ-UHFFFAOYSA-N 1 2 300.381 2.790 20 30 DFEDLO C=C(CC)C[N@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000649654344 431218083 /nfs/dbraw/zinc/21/80/83/431218083.db2.gz JCPALXGZNRDNIJ-UHFFFAOYSA-N 1 2 300.381 2.790 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(SC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660069968 431258325 /nfs/dbraw/zinc/25/83/25/431258325.db2.gz MLBBLPKPOCDGBZ-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1cccc(SC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660069968 431258331 /nfs/dbraw/zinc/25/83/31/431258331.db2.gz MLBBLPKPOCDGBZ-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000653032410 431237329 /nfs/dbraw/zinc/23/73/29/431237329.db2.gz YHWYGBRQFFFBGH-FPCVCCKLSA-N 1 2 315.417 2.512 20 30 DFEDLO C=C(CC)C[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649714010 431250291 /nfs/dbraw/zinc/25/02/91/431250291.db2.gz OMDLSFVYBDHPAE-UHFFFAOYSA-N 1 2 300.381 2.790 20 30 DFEDLO C=C(CC)C[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649714010 431250300 /nfs/dbraw/zinc/25/03/00/431250300.db2.gz OMDLSFVYBDHPAE-UHFFFAOYSA-N 1 2 300.381 2.790 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCc3c(F)cc(F)cc32)nn1 ZINC000656465610 431393613 /nfs/dbraw/zinc/39/36/13/431393613.db2.gz DCEAQYWKYAVAQJ-QGZVFWFLSA-N 1 2 316.355 2.595 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)nn1 ZINC000653570007 431441288 /nfs/dbraw/zinc/44/12/88/431441288.db2.gz WYXBQIHRZXKUCI-UHFFFAOYSA-N 1 2 304.438 2.779 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCOC3(C2)CCCCCC3)nn1 ZINC000653570007 431441295 /nfs/dbraw/zinc/44/12/95/431441295.db2.gz WYXBQIHRZXKUCI-UHFFFAOYSA-N 1 2 304.438 2.779 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)nn1 ZINC000653618323 431462246 /nfs/dbraw/zinc/46/22/46/431462246.db2.gz ATSBKULJEQMAGD-MRXNPFEDSA-N 1 2 316.405 2.931 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)nn1 ZINC000653618323 431462249 /nfs/dbraw/zinc/46/22/49/431462249.db2.gz ATSBKULJEQMAGD-MRXNPFEDSA-N 1 2 316.405 2.931 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660703999 431558069 /nfs/dbraw/zinc/55/80/69/431558069.db2.gz QZMJTZQLYSQMTL-NXOAAHMSSA-N 1 2 323.481 2.530 20 30 DFEDLO C=CCOCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653835180 431549483 /nfs/dbraw/zinc/54/94/83/431549483.db2.gz LOFRLWKGNDJXII-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCOCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653835180 431549487 /nfs/dbraw/zinc/54/94/87/431549487.db2.gz LOFRLWKGNDJXII-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000660815682 431610731 /nfs/dbraw/zinc/61/07/31/431610731.db2.gz MTBAQAVVWAJBNR-UHFFFAOYSA-N 1 2 312.417 2.891 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661149496 431753835 /nfs/dbraw/zinc/75/38/35/431753835.db2.gz CKWWKSACLKYFKU-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661149496 431753842 /nfs/dbraw/zinc/75/38/42/431753842.db2.gz CKWWKSACLKYFKU-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000664254489 431716192 /nfs/dbraw/zinc/71/61/92/431716192.db2.gz FDIVFGBVHPONCC-OAHLLOKOSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000664254489 431716199 /nfs/dbraw/zinc/71/61/99/431716199.db2.gz FDIVFGBVHPONCC-OAHLLOKOSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)nn1 ZINC000657462492 431766302 /nfs/dbraw/zinc/76/63/02/431766302.db2.gz UEFNTXTXVKEKJN-INIZCTEOSA-N 1 2 316.380 2.779 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205552 431777728 /nfs/dbraw/zinc/77/77/28/431777728.db2.gz KEBSWYGPZWEIRX-RDBSUJKOSA-N 1 2 302.422 2.701 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205552 431777735 /nfs/dbraw/zinc/77/77/35/431777735.db2.gz KEBSWYGPZWEIRX-RDBSUJKOSA-N 1 2 302.422 2.701 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289941672 294036507 /nfs/dbraw/zinc/03/65/07/294036507.db2.gz VLAVIJGPMVSAIZ-SECBINFHSA-N 1 2 311.332 2.684 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1C ZINC000289941672 294036508 /nfs/dbraw/zinc/03/65/08/294036508.db2.gz VLAVIJGPMVSAIZ-SECBINFHSA-N 1 2 311.332 2.684 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000269485064 294036990 /nfs/dbraw/zinc/03/69/90/294036990.db2.gz XLRBHSRPPUQEAV-JQWIXIFHSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000269485064 294036996 /nfs/dbraw/zinc/03/69/96/294036996.db2.gz XLRBHSRPPUQEAV-JQWIXIFHSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176631 294038004 /nfs/dbraw/zinc/03/80/04/294038004.db2.gz DVJLERHTUJNHCV-CMPLNLGQSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176631 294038009 /nfs/dbraw/zinc/03/80/09/294038009.db2.gz DVJLERHTUJNHCV-CMPLNLGQSA-N 1 2 321.446 2.923 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(Cl)c(C#N)n2)CC1(C)C ZINC000296356023 294437428 /nfs/dbraw/zinc/43/74/28/294437428.db2.gz RNWCTWHYFVTKTI-CYBMUJFWSA-N 1 2 301.781 2.928 20 30 DFEDLO C=CCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000292329460 335091280 /nfs/dbraw/zinc/09/12/80/335091280.db2.gz RSHNRICWAXEBQP-UHFFFAOYSA-N 1 2 316.445 2.737 20 30 DFEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000440458778 297153197 /nfs/dbraw/zinc/15/31/97/297153197.db2.gz CRJKCEHAFWWNOR-UHFFFAOYSA-N 1 2 323.400 2.542 20 30 DFEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000440458778 297153199 /nfs/dbraw/zinc/15/31/99/297153199.db2.gz CRJKCEHAFWWNOR-UHFFFAOYSA-N 1 2 323.400 2.542 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000552122055 301681654 /nfs/dbraw/zinc/68/16/54/301681654.db2.gz GMCOCBHGIUFODJ-UHFFFAOYSA-N 1 2 321.371 2.574 20 30 DFEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227491 301687008 /nfs/dbraw/zinc/68/70/08/301687008.db2.gz HEDUJDLIDYSUCL-IUODEOHRSA-N 1 2 312.373 2.562 20 30 DFEDLO N#Cc1c(NCCCCn2cc[nH+]c2)nc2cc(Cl)ccn12 ZINC000557643900 301836673 /nfs/dbraw/zinc/83/66/73/301836673.db2.gz JYGNRMHSUGAWFS-UHFFFAOYSA-N 1 2 314.780 2.948 20 30 DFEDLO Cc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(C#N)cn1 ZINC000563019676 302027284 /nfs/dbraw/zinc/02/72/84/302027284.db2.gz PBZLATAABNDLQU-WKILWMFISA-N 1 2 307.401 2.914 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 ZINC000563605253 302086482 /nfs/dbraw/zinc/08/64/82/302086482.db2.gz WOUCSWNAENSULZ-GVDBMIGSSA-N 1 2 320.396 2.663 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000565168971 302200590 /nfs/dbraw/zinc/20/05/90/302200590.db2.gz FSZRTSLYSVTNAT-OAHLLOKOSA-N 1 2 324.384 2.591 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000565168971 302200592 /nfs/dbraw/zinc/20/05/92/302200592.db2.gz FSZRTSLYSVTNAT-OAHLLOKOSA-N 1 2 324.384 2.591 20 30 DFEDLO N#Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)nc1 ZINC000565447485 302225817 /nfs/dbraw/zinc/22/58/17/302225817.db2.gz PQSMJSODFYROFT-UHFFFAOYSA-N 1 2 314.308 2.856 20 30 DFEDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000567609623 302373052 /nfs/dbraw/zinc/37/30/52/302373052.db2.gz UGYKNIDIZZQYSJ-CQSZACIVSA-N 1 2 321.808 2.649 20 30 DFEDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000567609623 302373054 /nfs/dbraw/zinc/37/30/54/302373054.db2.gz UGYKNIDIZZQYSJ-CQSZACIVSA-N 1 2 321.808 2.649 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000573892614 302728899 /nfs/dbraw/zinc/72/88/99/302728899.db2.gz PMMZDSUCEPTRAI-INIZCTEOSA-N 1 2 323.400 2.774 20 30 DFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000573982303 302734289 /nfs/dbraw/zinc/73/42/89/302734289.db2.gz DEWVWCRIEYZPMD-KRWDZBQOSA-N 1 2 305.385 2.509 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155257311 332763364 /nfs/dbraw/zinc/76/33/64/332763364.db2.gz ARNQGEVQILOMIA-MRXNPFEDSA-N 1 2 312.442 2.834 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000491059899 317547228 /nfs/dbraw/zinc/54/72/28/317547228.db2.gz DQGVMSIFZJXSSZ-HJWRWDBZSA-N 1 2 302.337 2.536 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000559140012 317889228 /nfs/dbraw/zinc/88/92/28/317889228.db2.gz VILFVSRNBNTOLB-UHFFFAOYSA-N 1 2 321.315 2.839 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(C#N)cn1 ZINC000577453220 318193039 /nfs/dbraw/zinc/19/30/39/318193039.db2.gz KQHJSASSXZQADF-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3O)c1C#N ZINC000578150004 318241805 /nfs/dbraw/zinc/24/18/05/318241805.db2.gz CXWXDOWGQLQCOF-QGZVFWFLSA-N 1 2 322.364 2.828 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCC2)O1 ZINC000579116690 318308580 /nfs/dbraw/zinc/30/85/80/318308580.db2.gz BUZUALKKVBOBOI-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCC2)O1 ZINC000579116690 318308582 /nfs/dbraw/zinc/30/85/82/318308582.db2.gz BUZUALKKVBOBOI-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000194549565 323270103 /nfs/dbraw/zinc/27/01/03/323270103.db2.gz BBSGPZOZRZXOHH-UHFFFAOYSA-N 1 2 308.381 2.776 20 30 DFEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000194549565 323270106 /nfs/dbraw/zinc/27/01/06/323270106.db2.gz BBSGPZOZRZXOHH-UHFFFAOYSA-N 1 2 308.381 2.776 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2[nH+]ccn21 ZINC000582709909 323720912 /nfs/dbraw/zinc/72/09/12/323720912.db2.gz IROBHAXGBNLEHT-TVQRCGJNSA-N 1 2 300.749 2.844 20 30 DFEDLO Cc1cc(Nc2ccnc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000584004527 323948801 /nfs/dbraw/zinc/94/88/01/323948801.db2.gz NPDRBFUTPLQIJX-ZDUSSCGKSA-N 1 2 308.389 2.596 20 30 DFEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000567692549 332878861 /nfs/dbraw/zinc/87/88/61/332878861.db2.gz WTTZRELMCCTQSJ-ZDUSSCGKSA-N 1 2 308.447 2.507 20 30 DFEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000299035764 331677192 /nfs/dbraw/zinc/67/71/92/331677192.db2.gz CVLOPMFXOZFXNH-UHFFFAOYSA-N 1 2 323.234 2.789 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299570594 331695571 /nfs/dbraw/zinc/69/55/71/331695571.db2.gz BOKPENGPCGCZFH-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000580090221 332934637 /nfs/dbraw/zinc/93/46/37/332934637.db2.gz OXVHARHNUAZOEC-DLBZAZTESA-N 1 2 301.434 2.824 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000558736015 331940196 /nfs/dbraw/zinc/94/01/96/331940196.db2.gz VGPPXDJNBQEDNF-HNNXBMFYSA-N 1 2 319.412 2.894 20 30 DFEDLO CSc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000518520360 332072190 /nfs/dbraw/zinc/07/21/90/332072190.db2.gz JETBRZZICCAQKR-LBPRGKRZSA-N 1 2 313.854 2.680 20 30 DFEDLO CSc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000518520360 332072191 /nfs/dbraw/zinc/07/21/91/332072191.db2.gz JETBRZZICCAQKR-LBPRGKRZSA-N 1 2 313.854 2.680 20 30 DFEDLO N#CCOc1cccc(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000089805840 332077808 /nfs/dbraw/zinc/07/78/08/332077808.db2.gz SHTUDFPZDUZSDF-INIZCTEOSA-N 1 2 324.384 2.608 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000569499560 332108497 /nfs/dbraw/zinc/10/84/97/332108497.db2.gz DFIGMTWWXILWPF-HZMBPMFUSA-N 1 2 309.772 2.866 20 30 DFEDLO CC#CC[N@@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000559464891 332262538 /nfs/dbraw/zinc/26/25/38/332262538.db2.gz GWEPNGGIOOCFAT-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO CC#CC[N@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000559464891 332262539 /nfs/dbraw/zinc/26/25/39/332262539.db2.gz GWEPNGGIOOCFAT-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000119744561 332284541 /nfs/dbraw/zinc/28/45/41/332284541.db2.gz LSVSQYSPPVPMRI-LJQANCHMSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000119744561 332284542 /nfs/dbraw/zinc/28/45/42/332284542.db2.gz LSVSQYSPPVPMRI-LJQANCHMSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000448033752 332297710 /nfs/dbraw/zinc/29/77/10/332297710.db2.gz DPZWDRXDRSBPCR-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO C=CCCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000448033752 332297711 /nfs/dbraw/zinc/29/77/11/332297711.db2.gz DPZWDRXDRSBPCR-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000363483390 332314191 /nfs/dbraw/zinc/31/41/91/332314191.db2.gz HPDRCDHQYVGFEO-GOSISDBHSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000363483390 332314192 /nfs/dbraw/zinc/31/41/92/332314192.db2.gz HPDRCDHQYVGFEO-GOSISDBHSA-N 1 2 313.376 2.544 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000293179971 335101505 /nfs/dbraw/zinc/10/15/05/335101505.db2.gz XUWSAHDQBJELDS-QGZVFWFLSA-N 1 2 307.397 2.730 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293049156 335102125 /nfs/dbraw/zinc/10/21/25/335102125.db2.gz HROHDWRYELWTAQ-LLVKDONJSA-N 1 2 300.318 2.661 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293049156 335102127 /nfs/dbraw/zinc/10/21/27/335102127.db2.gz HROHDWRYELWTAQ-LLVKDONJSA-N 1 2 300.318 2.661 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000185036859 335108454 /nfs/dbraw/zinc/10/84/54/335108454.db2.gz RLBIMVNQTLARBV-SJLPKXTDSA-N 1 2 316.445 2.778 20 30 DFEDLO C=CCOCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000293382133 335108674 /nfs/dbraw/zinc/10/86/74/335108674.db2.gz GKBKENNBHKSRAX-UHFFFAOYSA-N 1 2 316.232 2.713 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000293213360 335104985 /nfs/dbraw/zinc/10/49/85/335104985.db2.gz RIWASLMZCZHRKF-UHFFFAOYSA-N 1 2 321.424 2.739 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000293213360 335104987 /nfs/dbraw/zinc/10/49/87/335104987.db2.gz RIWASLMZCZHRKF-UHFFFAOYSA-N 1 2 321.424 2.739 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408274081 332426708 /nfs/dbraw/zinc/42/67/08/332426708.db2.gz VVFIZNGHIVEASN-ZDUSSCGKSA-N 1 2 302.426 2.865 20 30 DFEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185079569 335109723 /nfs/dbraw/zinc/10/97/23/335109723.db2.gz NXPCDXVMMPSJOZ-QGZVFWFLSA-N 1 2 313.376 2.958 20 30 DFEDLO C=C(C)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000156200232 332464345 /nfs/dbraw/zinc/46/43/45/332464345.db2.gz YEUNBTUTESVHOO-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1c[nH+]ccc1OC ZINC000293480098 335110511 /nfs/dbraw/zinc/11/05/11/335110511.db2.gz XFQGLMNKGJKTKE-QGZVFWFLSA-N 1 2 323.396 2.524 20 30 DFEDLO CC#CC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000159302497 332609826 /nfs/dbraw/zinc/60/98/26/332609826.db2.gz SQNZKQAKTBILOL-UHFFFAOYSA-N 1 2 311.212 2.775 20 30 DFEDLO N#C[C@]1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC12CCCC2 ZINC000562710133 332619804 /nfs/dbraw/zinc/61/98/04/332619804.db2.gz SNZFAERAZQXTSJ-QAPCUYQASA-N 1 2 311.385 2.535 20 30 DFEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127684 335115163 /nfs/dbraw/zinc/11/51/63/335115163.db2.gz KFDALDWVSHMOBH-QKVFXAPYSA-N 1 2 317.376 2.756 20 30 DFEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127684 335115164 /nfs/dbraw/zinc/11/51/64/335115164.db2.gz KFDALDWVSHMOBH-QKVFXAPYSA-N 1 2 317.376 2.756 20 30 DFEDLO NC(=NO)[C@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000314082868 333086148 /nfs/dbraw/zinc/08/61/48/333086148.db2.gz 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Cc1ccn2cc(CNC(=O)[C@@]3(C#N)CC34CCCC4)[nH+]c2c1 ZINC000294670116 334212353 /nfs/dbraw/zinc/21/23/53/334212353.db2.gz WZAKKVWQOJOMFI-SFHVURJKSA-N 1 2 308.385 2.733 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000296307494 334231747 /nfs/dbraw/zinc/23/17/47/334231747.db2.gz AFQYFKYEMQVHDD-HNNXBMFYSA-N 1 2 311.389 2.747 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000298525326 334249413 /nfs/dbraw/zinc/24/94/13/334249413.db2.gz CCGSORVHWQAPIZ-UKRRQHHQSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC000298525326 334249414 /nfs/dbraw/zinc/24/94/14/334249414.db2.gz CCGSORVHWQAPIZ-UKRRQHHQSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000299147862 334253516 /nfs/dbraw/zinc/25/35/16/334253516.db2.gz CWUYYTGENUQVQV-CMPLNLGQSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000299147862 334253518 /nfs/dbraw/zinc/25/35/18/334253518.db2.gz 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/nfs/dbraw/zinc/74/47/86/334744786.db2.gz RFAUBOYHHZWXTK-SWLSCSKDSA-N 1 2 308.451 2.550 20 30 DFEDLO Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328636739 334745242 /nfs/dbraw/zinc/74/52/42/334745242.db2.gz AKFNTGQUYBGXLE-MFKMUULPSA-N 1 2 302.378 2.811 20 30 DFEDLO CC[C@@H](NC(=O)c1coc(C2CCOCC2)n1)c1[nH]cc[nH+]1 ZINC000328706964 334749933 /nfs/dbraw/zinc/74/99/33/334749933.db2.gz AMKXYVGTRWNZSU-LLVKDONJSA-N 1 2 304.350 2.748 20 30 DFEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000328763348 334752673 /nfs/dbraw/zinc/75/26/73/334752673.db2.gz ZLBSWKNRJQGHMF-OLZOCXBDSA-N 1 2 324.375 2.742 20 30 DFEDLO CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)[C@H]1CCCO1 ZINC000328865137 334761774 /nfs/dbraw/zinc/76/17/74/334761774.db2.gz NEJMRVRUKGWKEB-SOUVJXGZSA-N 1 2 320.437 2.530 20 30 DFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1[nH]c[nH+]c1C ZINC000328914654 334768116 /nfs/dbraw/zinc/76/81/16/334768116.db2.gz QIXVMTUIXGCCJB-NSHDSACASA-N 1 2 320.418 2.882 20 30 DFEDLO CC(C)c1nnc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)s1 ZINC000328965824 334770727 /nfs/dbraw/zinc/77/07/27/334770727.db2.gz SIOWRQNJTYCEPM-SNVBAGLBSA-N 1 2 314.480 2.555 20 30 DFEDLO CCC(=O)N[C@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331352671 334857745 /nfs/dbraw/zinc/85/77/45/334857745.db2.gz ZOJGCNIAPSRLJY-AWEZNQCLSA-N 1 2 318.421 2.543 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2ncc(C)s2)C1=O ZINC000366906429 335339702 /nfs/dbraw/zinc/33/97/02/335339702.db2.gz YCZSBUSWRRLGDT-UONOGXRCSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ncc(C)s2)C1=O ZINC000366906429 335339704 /nfs/dbraw/zinc/33/97/04/335339704.db2.gz YCZSBUSWRRLGDT-UONOGXRCSA-N 1 2 305.447 2.765 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000345787910 335351181 /nfs/dbraw/zinc/35/11/81/335351181.db2.gz OFVFUXDWODOFAZ-JTQLQIEISA-N 1 2 311.838 2.784 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000345787910 335351183 /nfs/dbraw/zinc/35/11/83/335351183.db2.gz 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ZINC000350461823 335754773 /nfs/dbraw/zinc/75/47/73/335754773.db2.gz NXLQANIUMXHTPF-SKDRFNHKSA-N 1 2 311.288 2.978 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000350461987 335755059 /nfs/dbraw/zinc/75/50/59/335755059.db2.gz PEYGWHAKZYJBSR-HZMBPMFUSA-N 1 2 319.771 2.842 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCCC#N)c1ccccc1 ZINC000520472603 335978627 /nfs/dbraw/zinc/97/86/27/335978627.db2.gz HLCNJIDXJZPPEB-HNNXBMFYSA-N 1 2 311.389 2.503 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CC(C(F)(F)F)C1 ZINC000329470060 335980618 /nfs/dbraw/zinc/98/06/18/335980618.db2.gz YNFGFYDSTKUFEH-WHXUTIOJSA-N 1 2 316.327 2.605 20 30 DFEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1C1CC1 ZINC000329557783 335993711 /nfs/dbraw/zinc/99/37/11/335993711.db2.gz CAONIQVJBCHZEB-KBPBESRZSA-N 1 2 302.422 2.795 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329601198 336002901 /nfs/dbraw/zinc/00/29/01/336002901.db2.gz KMNFOXPYQNDVJZ-KBPBESRZSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329601198 336002902 /nfs/dbraw/zinc/00/29/02/336002902.db2.gz KMNFOXPYQNDVJZ-KBPBESRZSA-N 1 2 304.438 2.939 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCSC2)CCO1 ZINC000329602286 336003130 /nfs/dbraw/zinc/00/31/30/336003130.db2.gz XYSPTFQAFFXEKC-BZPMIXESSA-N 1 2 309.435 2.740 20 30 DFEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CC2(C1)CCCCC2 ZINC000329606059 336004393 /nfs/dbraw/zinc/00/43/93/336004393.db2.gz ZPSWQTACOIKKDN-CQSZACIVSA-N 1 2 302.422 2.941 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329636552 336020981 /nfs/dbraw/zinc/02/09/81/336020981.db2.gz YEKIQVQRWMKVII-VGVBULKLSA-N 1 2 314.433 2.692 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329636552 336020984 /nfs/dbraw/zinc/02/09/84/336020984.db2.gz YEKIQVQRWMKVII-VGVBULKLSA-N 1 2 314.433 2.692 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000329742499 336076348 /nfs/dbraw/zinc/07/63/48/336076348.db2.gz WODUYCWOHBGVGD-KGLIPLIRSA-N 1 2 316.405 2.721 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000329742499 336076349 /nfs/dbraw/zinc/07/63/49/336076349.db2.gz WODUYCWOHBGVGD-KGLIPLIRSA-N 1 2 316.405 2.721 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329748198 336076730 /nfs/dbraw/zinc/07/67/30/336076730.db2.gz SUVOYFARVRPGHH-ZIAGYGMSSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329748198 336076732 /nfs/dbraw/zinc/07/67/32/336076732.db2.gz SUVOYFARVRPGHH-ZIAGYGMSSA-N 1 2 304.438 2.939 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329849825 336089031 /nfs/dbraw/zinc/08/90/31/336089031.db2.gz ZLYPEVAHAPAJJJ-SNVBAGLBSA-N 1 2 305.769 2.650 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329849825 336089033 /nfs/dbraw/zinc/08/90/33/336089033.db2.gz ZLYPEVAHAPAJJJ-SNVBAGLBSA-N 1 2 305.769 2.650 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000329871209 336091041 /nfs/dbraw/zinc/09/10/41/336091041.db2.gz AOGBNNZXAFALRS-VZJVUDMVSA-N 1 2 320.437 2.513 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000329871209 336091043 /nfs/dbraw/zinc/09/10/43/336091043.db2.gz AOGBNNZXAFALRS-VZJVUDMVSA-N 1 2 320.437 2.513 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000329871210 336091132 /nfs/dbraw/zinc/09/11/32/336091132.db2.gz AOGBNNZXAFALRS-XEGUGMAKSA-N 1 2 320.437 2.513 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000329871210 336091134 /nfs/dbraw/zinc/09/11/34/336091134.db2.gz AOGBNNZXAFALRS-XEGUGMAKSA-N 1 2 320.437 2.513 20 30 DFEDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1nc(C(C)(C)C)no1 ZINC000330084876 336112371 /nfs/dbraw/zinc/11/23/71/336112371.db2.gz LHHBGRNLRWBZNP-SNVBAGLBSA-N 1 2 305.382 2.751 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330143392 336117725 /nfs/dbraw/zinc/11/77/25/336117725.db2.gz RBRVESYJUUYIGX-BZNIZROVSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330143392 336117727 /nfs/dbraw/zinc/11/77/27/336117727.db2.gz RBRVESYJUUYIGX-BZNIZROVSA-N 1 2 318.373 2.503 20 30 DFEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC12CCC2 ZINC000330162984 336119603 /nfs/dbraw/zinc/11/96/03/336119603.db2.gz APSNXTQKTADEOF-HIFRSBDPSA-N 1 2 302.422 2.622 20 30 DFEDLO CC(C)[C@@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC12CCC2 ZINC000330162984 336119604 /nfs/dbraw/zinc/11/96/04/336119604.db2.gz APSNXTQKTADEOF-HIFRSBDPSA-N 1 2 302.422 2.622 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCC1 ZINC000330182283 336121575 /nfs/dbraw/zinc/12/15/75/336121575.db2.gz HEIWAAXXIAQRRX-HUUCEWRRSA-N 1 2 302.422 2.767 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCC1 ZINC000330182283 336121576 /nfs/dbraw/zinc/12/15/76/336121576.db2.gz HEIWAAXXIAQRRX-HUUCEWRRSA-N 1 2 302.422 2.767 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330201121 336123542 /nfs/dbraw/zinc/12/35/42/336123542.db2.gz XHYGRTTYYWVPND-LSDHHAIUSA-N 1 2 304.438 2.870 20 30 DFEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330261546 336131002 /nfs/dbraw/zinc/13/10/02/336131002.db2.gz UIUBFLDNZFXDKV-JTQLQIEISA-N 1 2 313.361 2.649 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330278243 336132654 /nfs/dbraw/zinc/13/26/54/336132654.db2.gz PJIZXYNNGAQWRY-UONOGXRCSA-N 1 2 322.478 2.720 20 30 DFEDLO CCS[C@@H]1CCCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330278243 336132655 /nfs/dbraw/zinc/13/26/55/336132655.db2.gz PJIZXYNNGAQWRY-UONOGXRCSA-N 1 2 322.478 2.720 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330279393 336132969 /nfs/dbraw/zinc/13/29/69/336132969.db2.gz QYRJFGHWQJVVQW-QPSCCSFWSA-N 1 2 302.422 2.765 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330279393 336132971 /nfs/dbraw/zinc/13/29/71/336132971.db2.gz QYRJFGHWQJVVQW-QPSCCSFWSA-N 1 2 302.422 2.765 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000331543580 336139684 /nfs/dbraw/zinc/13/96/84/336139684.db2.gz FXILSSULPCWJSY-ZNMIVQPWSA-N 1 2 315.421 2.832 20 30 DFEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)O1 ZINC000330320146 336157806 /nfs/dbraw/zinc/15/78/06/336157806.db2.gz DXDOPTNYIGZHIJ-KQTLUZQSSA-N 1 2 321.421 2.944 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000332296740 336167164 /nfs/dbraw/zinc/16/71/64/336167164.db2.gz KIQNPEUTPNZCKQ-UHFFFAOYSA-N 1 2 314.414 2.860 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000352167604 336198628 /nfs/dbraw/zinc/19/86/28/336198628.db2.gz RNMWKEZENJAGLK-DLBZAZTESA-N 1 2 322.412 2.997 20 30 DFEDLO C=CC[C@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000333309122 336201738 /nfs/dbraw/zinc/20/17/38/336201738.db2.gz NDWZSVWSVDYWHH-LSDHHAIUSA-N 1 2 316.449 2.974 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000333549649 336205410 /nfs/dbraw/zinc/20/54/10/336205410.db2.gz FKBSFOZGEOMZQI-NILFDRSVSA-N 1 2 303.793 2.727 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000333560096 336205526 /nfs/dbraw/zinc/20/55/26/336205526.db2.gz GXDYQINVNGYJOR-APHBMKBZSA-N 1 2 301.365 2.603 20 30 DFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352479721 336221268 /nfs/dbraw/zinc/22/12/68/336221268.db2.gz BOXQCIIAVJGJRY-AWEZNQCLSA-N 1 2 315.392 2.682 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483227 336221315 /nfs/dbraw/zinc/22/13/15/336221315.db2.gz HTRGQQTVPVAJOO-TUVASFSCSA-N 1 2 309.429 2.643 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489463 336221672 /nfs/dbraw/zinc/22/16/72/336221672.db2.gz AIDVWRUPTXAFEM-AWEZNQCLSA-N 1 2 317.408 2.754 20 30 DFEDLO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352491755 336221742 /nfs/dbraw/zinc/22/17/42/336221742.db2.gz SCIUVNFZTAAIJX-AWEZNQCLSA-N 1 2 315.392 2.682 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC(C#N)CC1)Cc1ccccc1Cl ZINC000352639034 336228124 /nfs/dbraw/zinc/22/81/24/336228124.db2.gz XDHYOKAYNYRUOO-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC(C#N)CC1)Cc1ccccc1Cl ZINC000352639034 336228125 /nfs/dbraw/zinc/22/81/25/336228125.db2.gz XDHYOKAYNYRUOO-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccc(CO)o1 ZINC000352798793 336238079 /nfs/dbraw/zinc/23/80/79/336238079.db2.gz XVIJBZMTVHAJNZ-UHFFFAOYSA-N 1 2 322.449 2.795 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccc(CO)o1 ZINC000352798793 336238080 /nfs/dbraw/zinc/23/80/80/336238080.db2.gz XVIJBZMTVHAJNZ-UHFFFAOYSA-N 1 2 322.449 2.795 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnc(OC)c1 ZINC000352800784 336239112 /nfs/dbraw/zinc/23/91/12/336239112.db2.gz IIYMFLMVMAUIMQ-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnc(OC)c1 ZINC000352800784 336239113 /nfs/dbraw/zinc/23/91/13/336239113.db2.gz IIYMFLMVMAUIMQ-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352807147 336242755 /nfs/dbraw/zinc/24/27/55/336242755.db2.gz WGOCBHTYMZRMCI-HNNXBMFYSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000352807147 336242756 /nfs/dbraw/zinc/24/27/56/336242756.db2.gz WGOCBHTYMZRMCI-HNNXBMFYSA-N 1 2 320.433 2.551 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000352886091 336330886 /nfs/dbraw/zinc/33/08/86/336330886.db2.gz FIQFRQAMSAQDQM-GOSISDBHSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000114724013 336401261 /nfs/dbraw/zinc/40/12/61/336401261.db2.gz HUJXXKIEHHVLKC-UHFFFAOYSA-N 1 2 324.808 2.970 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354438048 336470746 /nfs/dbraw/zinc/47/07/46/336470746.db2.gz KYVZCTGDUZAZJW-LSDHHAIUSA-N 1 2 319.453 2.543 20 30 DFEDLO CC#CCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000361288432 336748571 /nfs/dbraw/zinc/74/85/71/336748571.db2.gz MQBWOEACDYMIGM-UHFFFAOYSA-N 1 2 314.433 2.675 20 30 DFEDLO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCC#N)CC1 ZINC000369152840 336859655 /nfs/dbraw/zinc/85/96/55/336859655.db2.gz AUQKXSIEYHKWGK-QGZVFWFLSA-N 1 2 320.481 2.975 20 30 DFEDLO N#CCc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000372450416 336931723 /nfs/dbraw/zinc/93/17/23/336931723.db2.gz VEFLNTKIEFZLAU-KRWDZBQOSA-N 1 2 320.396 2.546 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373996165 336978824 /nfs/dbraw/zinc/97/88/24/336978824.db2.gz ULHGRVITWODTQQ-CYBMUJFWSA-N 1 2 322.478 2.761 20 30 DFEDLO CCCc1nnc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)[nH]1 ZINC000375407897 337010669 /nfs/dbraw/zinc/01/06/69/337010669.db2.gz YYRHWZIJXCIDMC-AWEZNQCLSA-N 1 2 319.453 2.851 20 30 DFEDLO CCCc1nnc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)[nH]1 ZINC000375407897 337010670 /nfs/dbraw/zinc/01/06/70/337010670.db2.gz YYRHWZIJXCIDMC-AWEZNQCLSA-N 1 2 319.453 2.851 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375634916 337015274 /nfs/dbraw/zinc/01/52/74/337015274.db2.gz MSHAQHYMKTYWMY-LSDHHAIUSA-N 1 2 302.422 2.704 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377027080 337045658 /nfs/dbraw/zinc/04/56/58/337045658.db2.gz DDPZFMFEIUFKAG-CYBMUJFWSA-N 1 2 303.410 2.629 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000378185825 337067937 /nfs/dbraw/zinc/06/79/37/337067937.db2.gz SOPQEWGPLUDZPW-UHFFFAOYSA-N 1 2 315.417 2.663 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C#Cc2ccccc2)c1 ZINC000378387754 337071407 /nfs/dbraw/zinc/07/14/07/337071407.db2.gz FKCDCBBMRMQZFP-UHFFFAOYSA-N 1 2 315.376 2.755 20 30 DFEDLO C#CCC[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000378541854 337075413 /nfs/dbraw/zinc/07/54/13/337075413.db2.gz WWGCAMGVFOEXKW-LJQANCHMSA-N 1 2 323.440 2.945 20 30 DFEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000378541854 337075414 /nfs/dbraw/zinc/07/54/14/337075414.db2.gz WWGCAMGVFOEXKW-LJQANCHMSA-N 1 2 323.440 2.945 20 30 DFEDLO C=CC[N@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000378555027 337075651 /nfs/dbraw/zinc/07/56/51/337075651.db2.gz WYSKLSLHBNDLNR-GFCCVEGCSA-N 1 2 303.328 2.622 20 30 DFEDLO C=CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000378555027 337075652 /nfs/dbraw/zinc/07/56/52/337075652.db2.gz WYSKLSLHBNDLNR-GFCCVEGCSA-N 1 2 303.328 2.622 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000174874492 337145091 /nfs/dbraw/zinc/14/50/91/337145091.db2.gz RVQAJPGJVBNEGZ-UHFFFAOYSA-N 1 2 317.408 2.800 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000174874492 337145092 /nfs/dbraw/zinc/14/50/92/337145092.db2.gz RVQAJPGJVBNEGZ-UHFFFAOYSA-N 1 2 317.408 2.800 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000582788650 337166272 /nfs/dbraw/zinc/16/62/72/337166272.db2.gz KHJSJBTUHIFCMB-AEFFLSMTSA-N 1 2 322.412 2.997 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000180453967 337174714 /nfs/dbraw/zinc/17/47/14/337174714.db2.gz XFXNXXKNJNHLKS-AWEZNQCLSA-N 1 2 313.405 2.811 20 30 DFEDLO C=C(C)CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000181385065 337181867 /nfs/dbraw/zinc/18/18/67/337181867.db2.gz CJGXTANCUQNTFL-UHFFFAOYSA-N 1 2 312.417 2.843 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181648109 337183521 /nfs/dbraw/zinc/18/35/21/337183521.db2.gz BMOMKEHJINKYEN-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181648109 337183522 /nfs/dbraw/zinc/18/35/22/337183522.db2.gz BMOMKEHJINKYEN-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000106806254 337387185 /nfs/dbraw/zinc/38/71/85/337387185.db2.gz LORMZZQHTBLJPJ-QGZVFWFLSA-N 1 2 309.498 2.585 20 30 DFEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C#N)CC1 ZINC000057876810 337458243 /nfs/dbraw/zinc/45/82/43/337458243.db2.gz VZZOCJINOBOGSS-CABCVRRESA-N 1 2 311.429 2.978 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000572153308 337593980 /nfs/dbraw/zinc/59/39/80/337593980.db2.gz OUELHZDRYCEXTG-UHFFFAOYSA-N 1 2 313.401 2.843 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000264484864 337632607 /nfs/dbraw/zinc/63/26/07/337632607.db2.gz REZGQMDEBGXYIH-AWEZNQCLSA-N 1 2 316.401 2.827 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000264459148 337632624 /nfs/dbraw/zinc/63/26/24/337632624.db2.gz JVLFYLRATHEHQH-UHFFFAOYSA-N 1 2 324.808 2.948 20 30 DFEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000271434574 337644337 /nfs/dbraw/zinc/64/43/37/337644337.db2.gz BDYLAMJVMKHSJQ-UHFFFAOYSA-N 1 2 315.417 2.701 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)nn1 ZINC000424171660 337792284 /nfs/dbraw/zinc/79/22/84/337792284.db2.gz MLIAWFFPHRDJIF-UHFFFAOYSA-N 1 2 312.295 2.653 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(CCC#N)CC1 ZINC000516458962 338012865 /nfs/dbraw/zinc/01/28/65/338012865.db2.gz SZJLPIJMCRPJOL-UHFFFAOYSA-N 1 2 317.437 2.764 20 30 DFEDLO COCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433030425 338177372 /nfs/dbraw/zinc/17/73/72/338177372.db2.gz WAIOXIFELVKBBN-CQSZACIVSA-N 1 2 300.362 2.741 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433307784 338190970 /nfs/dbraw/zinc/19/09/70/338190970.db2.gz VXDICYXKOYSZIK-HNNXBMFYSA-N 1 2 301.434 2.524 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433307784 338190971 /nfs/dbraw/zinc/19/09/71/338190971.db2.gz VXDICYXKOYSZIK-HNNXBMFYSA-N 1 2 301.434 2.524 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccncc1 ZINC000439543784 338372759 /nfs/dbraw/zinc/37/27/59/338372759.db2.gz RLIVVVCABPOGGW-UHFFFAOYSA-N 1 2 312.402 2.552 20 30 DFEDLO C=C(CC)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449735672 338648999 /nfs/dbraw/zinc/64/89/99/338648999.db2.gz RVQYNPYWHFQDII-OAHLLOKOSA-N 1 2 300.362 2.974 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454210169 338857563 /nfs/dbraw/zinc/85/75/63/338857563.db2.gz CFLJMIRXMYHKMH-UHFFFAOYSA-N 1 2 312.417 2.943 20 30 DFEDLO C=CCC[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731848 338870846 /nfs/dbraw/zinc/87/08/46/338870846.db2.gz VWVJNLHPXMWXLO-HNNXBMFYSA-N 1 2 314.389 2.536 20 30 DFEDLO CN(C(=O)NCC1(CC#N)CC1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458732602 339004298 /nfs/dbraw/zinc/00/42/98/339004298.db2.gz MHWCBKNFDMAPPG-HNNXBMFYSA-N 1 2 323.400 2.834 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000459466307 339030692 /nfs/dbraw/zinc/03/06/92/339030692.db2.gz OGRWASJZNJKWQN-ZWNOBZJWSA-N 1 2 309.316 2.508 20 30 DFEDLO COc1ccc(C[NH+]2CC(C)(OC)C2)cc1OCCCC#N ZINC000459578661 339037183 /nfs/dbraw/zinc/03/71/83/339037183.db2.gz HZMLJHUCCWCUJD-UHFFFAOYSA-N 1 2 304.390 2.598 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000482452044 339632122 /nfs/dbraw/zinc/63/21/22/339632122.db2.gz UAHSMKVZSKKNCB-SQNIBIBYSA-N 1 2 317.429 2.965 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000488375255 339779046 /nfs/dbraw/zinc/77/90/46/339779046.db2.gz BOEWWEVQVJBVMZ-UHFFFAOYSA-N 1 2 320.396 2.849 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)C(C)C ZINC000490995685 339845535 /nfs/dbraw/zinc/84/55/35/339845535.db2.gz KRDUNFIYPTXXGZ-OAHLLOKOSA-N 1 2 304.438 2.525 20 30 DFEDLO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491406493 339861027 /nfs/dbraw/zinc/86/10/27/339861027.db2.gz OASQQIITJAYZOA-SWLSCSKDSA-N 1 2 301.777 2.978 20 30 DFEDLO C#CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000491537375 339865866 /nfs/dbraw/zinc/86/58/66/339865866.db2.gz QAYQPYRHZALLRH-UHFFFAOYSA-N 1 2 307.397 2.949 20 30 DFEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000491698626 339874646 /nfs/dbraw/zinc/87/46/46/339874646.db2.gz 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ZINC000496795634 340013127 /nfs/dbraw/zinc/01/31/27/340013127.db2.gz MYPDUAGSUBTKFG-CJNGLKHVSA-N 1 2 313.417 2.960 20 30 DFEDLO C[C@H](CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496795634 340013128 /nfs/dbraw/zinc/01/31/28/340013128.db2.gz MYPDUAGSUBTKFG-CJNGLKHVSA-N 1 2 313.417 2.960 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497008266 340018134 /nfs/dbraw/zinc/01/81/34/340018134.db2.gz OACHSNYQHZPKHU-YOEHRIQHSA-N 1 2 305.422 2.645 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497008266 340018135 /nfs/dbraw/zinc/01/81/35/340018135.db2.gz OACHSNYQHZPKHU-YOEHRIQHSA-N 1 2 305.422 2.645 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC#N)c1ccccc1 ZINC000193827630 340583779 /nfs/dbraw/zinc/58/37/79/340583779.db2.gz WEEPWAQWYRBKRX-UHFFFAOYSA-N 1 2 304.353 2.902 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528521759 340722956 /nfs/dbraw/zinc/72/29/56/340722956.db2.gz RBJDFQSSJXXWCV-AAEUAGOBSA-N 1 2 309.772 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ZINC000565051771 341515976 /nfs/dbraw/zinc/51/59/76/341515976.db2.gz RAUGIEYCUJDRCI-KBXCAEBGSA-N 1 2 317.433 2.539 20 30 DFEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083153 521567829 /nfs/dbraw/zinc/56/78/29/521567829.db2.gz JJGXVGPVOQZBTO-UHFFFAOYSA-N 1 2 314.307 2.962 20 30 DFEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083153 521567835 /nfs/dbraw/zinc/56/78/35/521567835.db2.gz JJGXVGPVOQZBTO-UHFFFAOYSA-N 1 2 314.307 2.962 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000317797706 534780601 /nfs/dbraw/zinc/78/06/01/534780601.db2.gz FWBGURMSKXWTQX-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000299676249 534801946 /nfs/dbraw/zinc/80/19/46/534801946.db2.gz QOWIWOZJLRIFIW-SNAWJCMRSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1ccnc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000298160554 534825594 /nfs/dbraw/zinc/82/55/94/534825594.db2.gz PQEYALLYWYRUKY-AWEZNQCLSA-N 1 2 314.414 2.500 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C#N)cc1)C2 ZINC000332591306 526816199 /nfs/dbraw/zinc/81/61/99/526816199.db2.gz AQDCSGFLNLPACN-HNNXBMFYSA-N 1 2 322.412 2.797 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332554404 528939232 /nfs/dbraw/zinc/93/92/32/528939232.db2.gz LWZOFUYPIGLUOC-QGZVFWFLSA-N 1 2 322.412 2.754 20 30 DFEDLO CC(C)[N@H+](Cc1nnc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000299642265 528967373 /nfs/dbraw/zinc/96/73/73/528967373.db2.gz WCFPKWSVBXRERX-UHFFFAOYSA-N 1 2 309.417 2.897 20 30 DFEDLO CC(C)[N@@H+](Cc1nnc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000299642265 528967380 /nfs/dbraw/zinc/96/73/80/528967380.db2.gz WCFPKWSVBXRERX-UHFFFAOYSA-N 1 2 309.417 2.897 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684903330 546300555 /nfs/dbraw/zinc/30/05/55/546300555.db2.gz FECWMGCTBSNZQM-AWEZNQCLSA-N 1 2 300.406 2.839 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(O)c(=O)c1 ZINC000596202424 398356088 /nfs/dbraw/zinc/35/60/88/398356088.db2.gz UWTJKBARBVELEF-ZDUSSCGKSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(O)c(=O)c1 ZINC000596202424 398356091 /nfs/dbraw/zinc/35/60/91/398356091.db2.gz UWTJKBARBVELEF-ZDUSSCGKSA-N 1 2 300.402 3.000 20 30 DFEDLO Cc1nc(N2CCC(CC#N)CC2)c(Br)c(C)[nH+]1 ZINC000596190492 398352272 /nfs/dbraw/zinc/35/22/72/398352272.db2.gz UASZXVNPPWVWGH-UHFFFAOYSA-N 1 2 309.211 2.986 20 30 DFEDLO CCc1nc(C#N)cc(N2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000596189978 398352474 /nfs/dbraw/zinc/35/24/74/398352474.db2.gz NIIDHRHHNUCZOH-UHFFFAOYSA-N 1 2 307.401 2.998 20 30 DFEDLO Cc1nsc(NCC2CC[NH+](CC(F)F)CC2)c1C#N ZINC000596238800 398364783 /nfs/dbraw/zinc/36/47/83/398364783.db2.gz KUPGQXJYEHCQEG-UHFFFAOYSA-N 1 2 300.378 2.712 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066314416 398369472 /nfs/dbraw/zinc/36/94/72/398369472.db2.gz KFNXJVCPLVQEFX-OAHLLOKOSA-N 1 2 313.401 2.529 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCC1CCC(F)CC1 ZINC000591995446 398370725 /nfs/dbraw/zinc/37/07/25/398370725.db2.gz VICPLEOAAWKOKU-UHFFFAOYSA-N 1 2 302.357 2.680 20 30 DFEDLO Cc1c2cccc(Cl)c2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578295237 398372137 /nfs/dbraw/zinc/37/21/37/398372137.db2.gz JDGSQAKWJQXLLP-MRXNPFEDSA-N 1 2 319.792 2.968 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)c2[nH+]ccn21 ZINC000592012859 398373444 /nfs/dbraw/zinc/37/34/44/398373444.db2.gz NCSSIYBHUBGRMS-TZMCWYRMSA-N 1 2 301.394 2.614 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OC2CCCC2)c1 ZINC000578631879 398375121 /nfs/dbraw/zinc/37/51/21/398375121.db2.gz DIWMFXBXVSUBSG-GOSISDBHSA-N 1 2 315.417 2.582 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066469210 398379482 /nfs/dbraw/zinc/37/94/82/398379482.db2.gz RIDGNYLTOUVHNP-HZSPNIEDSA-N 1 2 305.447 2.892 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000066469210 398379485 /nfs/dbraw/zinc/37/94/85/398379485.db2.gz RIDGNYLTOUVHNP-HZSPNIEDSA-N 1 2 305.447 2.892 20 30 DFEDLO CC(C)c1ccc(OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000579718572 398382412 /nfs/dbraw/zinc/38/24/12/398382412.db2.gz JQWPXIWWOHBQOE-SFHVURJKSA-N 1 2 317.433 2.539 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000579906868 398383813 /nfs/dbraw/zinc/38/38/13/398383813.db2.gz SQBZUZIEMKKYJG-GJZGRUSLSA-N 1 2 302.422 2.819 20 30 DFEDLO CCC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000580783228 398385651 /nfs/dbraw/zinc/38/56/51/398385651.db2.gz PJFBHBOIONTIGQ-UHFFFAOYSA-N 1 2 313.445 2.932 20 30 DFEDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccncc1C#N)CC1CC1 ZINC000592124512 398387402 /nfs/dbraw/zinc/38/74/02/398387402.db2.gz GFLLGBTXWMFEAJ-KRWDZBQOSA-N 1 2 301.390 2.507 20 30 DFEDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccncc1C#N)CC1CC1 ZINC000592124512 398387405 /nfs/dbraw/zinc/38/74/05/398387405.db2.gz GFLLGBTXWMFEAJ-KRWDZBQOSA-N 1 2 301.390 2.507 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccc(C#N)c1 ZINC000092504308 185322742 /nfs/dbraw/zinc/32/27/42/185322742.db2.gz CXMBDKNSALJBJS-UHFFFAOYSA-N 1 2 322.412 2.776 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccc(C#N)c1 ZINC000092504308 185322743 /nfs/dbraw/zinc/32/27/43/185322743.db2.gz CXMBDKNSALJBJS-UHFFFAOYSA-N 1 2 322.412 2.776 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000581204815 398389365 /nfs/dbraw/zinc/38/93/65/398389365.db2.gz BVUKIYTZDHCCEX-LBPRGKRZSA-N 1 2 323.234 2.581 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000581204815 398389367 /nfs/dbraw/zinc/38/93/67/398389367.db2.gz BVUKIYTZDHCCEX-LBPRGKRZSA-N 1 2 323.234 2.581 20 30 DFEDLO CC[C@@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581313600 398390034 /nfs/dbraw/zinc/39/00/34/398390034.db2.gz MAQHAIJYATZKQP-ZBFHGGJFSA-N 1 2 305.447 2.517 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000592147115 398391039 /nfs/dbraw/zinc/39/10/39/398391039.db2.gz INSOFVGCLOHROK-INIZCTEOSA-N 1 2 317.389 2.800 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000592147115 398391041 /nfs/dbraw/zinc/39/10/41/398391041.db2.gz INSOFVGCLOHROK-INIZCTEOSA-N 1 2 317.389 2.800 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000092729111 185336419 /nfs/dbraw/zinc/33/64/19/185336419.db2.gz WJJLAIHLXDXRCE-UHFFFAOYSA-N 1 2 303.753 2.609 20 30 DFEDLO C=CCC[C@H]1NC(=O)N([C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000581598202 398391996 /nfs/dbraw/zinc/39/19/96/398391996.db2.gz IJECCJIKDYTBEV-CZUORRHYSA-N 1 2 324.384 2.820 20 30 DFEDLO N#Cc1sccc1N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000596355784 398393549 /nfs/dbraw/zinc/39/35/49/398393549.db2.gz YKFYKTMLXDXYAQ-UHFFFAOYSA-N 1 2 309.398 2.823 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000084072743 398393321 /nfs/dbraw/zinc/39/33/21/398393321.db2.gz VVRYLFYOXRYUDB-OAHLLOKOSA-N 1 2 322.393 2.873 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC000017843617 398404991 /nfs/dbraw/zinc/40/49/91/398404991.db2.gz DNCBXOHMCIRUCV-MRXNPFEDSA-N 1 2 309.413 2.559 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)Cc2ccccc2Cl)no1 ZINC000067098743 398417300 /nfs/dbraw/zinc/41/73/00/398417300.db2.gz HDHBSEILLVBBCE-UHFFFAOYSA-N 1 2 308.769 2.707 20 30 DFEDLO N#CCC[C@H](C#N)CNCc1[nH+]ccn1CCc1ccccc1 ZINC000584834566 398419416 /nfs/dbraw/zinc/41/94/16/398419416.db2.gz RDZATHQRWXRRAG-QGZVFWFLSA-N 1 2 307.401 2.659 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nccn1CCc1ccccc1 ZINC000584834566 398419418 /nfs/dbraw/zinc/41/94/18/398419418.db2.gz RDZATHQRWXRRAG-QGZVFWFLSA-N 1 2 307.401 2.659 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067523230 398440566 /nfs/dbraw/zinc/44/05/66/398440566.db2.gz AFCWILAHCMYIFV-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO CCSc1nnc(NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC000025779030 398446148 /nfs/dbraw/zinc/44/61/48/398446148.db2.gz OASYOWGDYHNLDA-UHFFFAOYSA-N 1 2 300.453 2.970 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000026323555 398451464 /nfs/dbraw/zinc/45/14/64/398451464.db2.gz OJRZHIBCLADCKN-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000026323555 398451467 /nfs/dbraw/zinc/45/14/67/398451467.db2.gz OJRZHIBCLADCKN-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000586777301 398457030 /nfs/dbraw/zinc/45/70/30/398457030.db2.gz KQFCHDGJQLFGBC-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000586777301 398457033 /nfs/dbraw/zinc/45/70/33/398457033.db2.gz KQFCHDGJQLFGBC-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000280650555 398460739 /nfs/dbraw/zinc/46/07/39/398460739.db2.gz OCRDLTQHIVLZPF-SQNIBIBYSA-N 1 2 317.429 2.732 20 30 DFEDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2ccccc2)cc(C#N)n1 ZINC000587057537 398470491 /nfs/dbraw/zinc/47/04/91/398470491.db2.gz WLHOAHGSECOHQO-KRWDZBQOSA-N 1 2 303.369 2.619 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970393 398473187 /nfs/dbraw/zinc/47/31/87/398473187.db2.gz NZGOZSMZROKSJB-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000596658636 398473846 /nfs/dbraw/zinc/47/38/46/398473846.db2.gz YYZIWAXMQLFOER-ZDUSSCGKSA-N 1 2 305.809 2.534 20 30 DFEDLO COc1ccc([C@H](Nc2ccc(C#N)cn2)c2[nH+]ccn2C)cc1 ZINC000028743624 398476070 /nfs/dbraw/zinc/47/60/70/398476070.db2.gz DLSMZYLCHYWYBO-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588367277 398498068 /nfs/dbraw/zinc/49/80/68/398498068.db2.gz UAXQWWMBRBEEMP-MRXNPFEDSA-N 1 2 314.433 2.761 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)nc1 ZINC000060481160 282443061 /nfs/dbraw/zinc/44/30/61/282443061.db2.gz OWYRMHLYJYYGEF-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2oc3c(cccc3C)c2C)CC1 ZINC000068444240 398504691 /nfs/dbraw/zinc/50/46/91/398504691.db2.gz HDDAIKBAKGGVNL-UHFFFAOYSA-N 1 2 310.397 2.831 20 30 DFEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000068455758 398504910 /nfs/dbraw/zinc/50/49/10/398504910.db2.gz RUSYSDZGATYQPE-ZDUSSCGKSA-N 1 2 323.183 2.961 20 30 DFEDLO CO[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068387 398507128 /nfs/dbraw/zinc/50/71/28/398507128.db2.gz MWVNDWRPBCHIOT-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO CO[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068387 398507133 /nfs/dbraw/zinc/50/71/33/398507133.db2.gz MWVNDWRPBCHIOT-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592953657 398511554 /nfs/dbraw/zinc/51/15/54/398511554.db2.gz XEELRQJCWVGDRQ-YJBOKZPZSA-N 1 2 320.396 2.511 20 30 DFEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000592997836 398516030 /nfs/dbraw/zinc/51/60/30/398516030.db2.gz JLBCYNDHEAQUFM-UHFFFAOYSA-N 1 2 302.359 2.863 20 30 DFEDLO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000592997836 398516031 /nfs/dbraw/zinc/51/60/31/398516031.db2.gz JLBCYNDHEAQUFM-UHFFFAOYSA-N 1 2 302.359 2.863 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444736027 297248238 /nfs/dbraw/zinc/24/82/38/297248238.db2.gz VNTMRDVSLYERHT-RISCZKNCSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736028 297248313 /nfs/dbraw/zinc/24/83/13/297248313.db2.gz VNTMRDVSLYERHT-SMDDNHRTSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736028 297248314 /nfs/dbraw/zinc/24/83/14/297248314.db2.gz VNTMRDVSLYERHT-SMDDNHRTSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000597007275 398546188 /nfs/dbraw/zinc/54/61/88/398546188.db2.gz BUUNDHYAFPDXJQ-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1Cc1nc(C#N)cs1 ZINC000589499288 398557780 /nfs/dbraw/zinc/55/77/80/398557780.db2.gz OADUTGBKDSTWSZ-CYBMUJFWSA-N 1 2 301.419 2.958 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc(C#N)n1 ZINC000589509711 398558462 /nfs/dbraw/zinc/55/84/62/398558462.db2.gz XGAZRNZQMNVNJG-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc(C#N)n1 ZINC000589509713 398559038 /nfs/dbraw/zinc/55/90/38/398559038.db2.gz XGAZRNZQMNVNJG-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO CC(C)=CCOc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154398 398560047 /nfs/dbraw/zinc/56/00/47/398560047.db2.gz MECAMYJWGNOTDI-GOSISDBHSA-N 1 2 315.417 2.605 20 30 DFEDLO CC(C)Cc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593154482 398560063 /nfs/dbraw/zinc/56/00/63/398560063.db2.gz WCGGLOLINHQSLZ-LJQANCHMSA-N 1 2 315.461 2.778 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000279826712 215178794 /nfs/dbraw/zinc/17/87/94/215178794.db2.gz ZDBOXJNJSSDLPV-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000279826712 215178797 /nfs/dbraw/zinc/17/87/97/215178797.db2.gz ZDBOXJNJSSDLPV-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@]1=O ZINC000597131780 398571992 /nfs/dbraw/zinc/57/19/92/398571992.db2.gz WXNSGDAVNXPOJN-WTBBCNCBSA-N 1 2 316.470 2.973 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@]1=O ZINC000597131780 398571995 /nfs/dbraw/zinc/57/19/95/398571995.db2.gz WXNSGDAVNXPOJN-WTBBCNCBSA-N 1 2 316.470 2.973 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000597135842 398574053 /nfs/dbraw/zinc/57/40/53/398574053.db2.gz PWOBCZFIQXUMTN-GFCCVEGCSA-N 1 2 316.311 2.510 20 30 DFEDLO Cc1nn(C)c(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1Br ZINC000597195525 398587739 /nfs/dbraw/zinc/58/77/39/398587739.db2.gz JPCOIYJQZCSIRT-MNOVXSKESA-N 1 2 311.227 2.663 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597200476 398589236 /nfs/dbraw/zinc/58/92/36/398589236.db2.gz YCTABCKWMSWWRZ-AAEUAGOBSA-N 1 2 317.345 2.538 20 30 DFEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590053225 398592633 /nfs/dbraw/zinc/59/26/33/398592633.db2.gz BGCWMSZSXGWHDY-PBHICJAKSA-N 1 2 322.412 2.992 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)n2c1 ZINC000597225890 398596829 /nfs/dbraw/zinc/59/68/29/398596829.db2.gz GRZDNYILULJHKN-UHFFFAOYSA-N 1 2 322.412 2.597 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)n2c1 ZINC000597225890 398596831 /nfs/dbraw/zinc/59/68/31/398596831.db2.gz GRZDNYILULJHKN-UHFFFAOYSA-N 1 2 322.412 2.597 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000070788082 398599027 /nfs/dbraw/zinc/59/90/27/398599027.db2.gz NFNCMKQYRVJYSU-SECBINFHSA-N 1 2 317.252 2.633 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000070788082 398599032 /nfs/dbraw/zinc/59/90/32/398599032.db2.gz NFNCMKQYRVJYSU-SECBINFHSA-N 1 2 317.252 2.633 20 30 DFEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000590242247 398606935 /nfs/dbraw/zinc/60/69/35/398606935.db2.gz INTDEMGAOMMKFJ-UHFFFAOYSA-N 1 2 305.341 2.524 20 30 DFEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000042978940 398608618 /nfs/dbraw/zinc/60/86/18/398608618.db2.gz NJRWVUJATYXJSE-KSSFIOAISA-N 1 2 317.433 2.570 20 30 DFEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000042978940 398608619 /nfs/dbraw/zinc/60/86/19/398608619.db2.gz NJRWVUJATYXJSE-KSSFIOAISA-N 1 2 317.433 2.570 20 30 DFEDLO N#CC1(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000590174691 398603218 /nfs/dbraw/zinc/60/32/18/398603218.db2.gz KZVNBSQVZRAQLE-UHFFFAOYSA-N 1 2 304.419 2.761 20 30 DFEDLO N#CC1(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCCC1 ZINC000593428448 398625317 /nfs/dbraw/zinc/62/53/17/398625317.db2.gz XHRCPXMTHMOFNT-ZDUSSCGKSA-N 1 2 301.394 2.730 20 30 DFEDLO CC(C)(C)[C@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597351058 398626507 /nfs/dbraw/zinc/62/65/07/398626507.db2.gz OMJKSWJXHHEWNK-GJZGRUSLSA-N 1 2 310.401 2.986 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000597360357 398628150 /nfs/dbraw/zinc/62/81/50/398628150.db2.gz IWTFCYWYGRXNQH-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000597360357 398628153 /nfs/dbraw/zinc/62/81/53/398628153.db2.gz IWTFCYWYGRXNQH-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000593450022 398633237 /nfs/dbraw/zinc/63/32/37/398633237.db2.gz DVALYIYXCMBYPR-KBPBESRZSA-N 1 2 301.390 2.568 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2c1 ZINC000093438111 398637184 /nfs/dbraw/zinc/63/71/84/398637184.db2.gz MPESEYDOBHLQFY-MRXNPFEDSA-N 1 2 306.373 2.656 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2c1 ZINC000093438111 398637187 /nfs/dbraw/zinc/63/71/87/398637187.db2.gz MPESEYDOBHLQFY-MRXNPFEDSA-N 1 2 306.373 2.656 20 30 DFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)CC#N)c(C)c1 ZINC000597426620 398639002 /nfs/dbraw/zinc/63/90/02/398639002.db2.gz KVMINIIAJBKOSE-WMLDXEAASA-N 1 2 310.401 2.907 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000593474206 398640316 /nfs/dbraw/zinc/64/03/16/398640316.db2.gz KSIRFAFOEOPVBM-XJKSGUPXSA-N 1 2 318.417 2.852 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000593551652 398654371 /nfs/dbraw/zinc/65/43/71/398654371.db2.gz CJASSXZPTNDLHB-CABCVRRESA-N 1 2 310.401 2.886 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000590714549 398657450 /nfs/dbraw/zinc/65/74/50/398657450.db2.gz DPVSMODVCMYRRR-QGZVFWFLSA-N 1 2 312.392 2.702 20 30 DFEDLO COC1(c2nc(C3CC3)no2)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000590737897 398662651 /nfs/dbraw/zinc/66/26/51/398662651.db2.gz OOZVOSYWNLKVSM-UHFFFAOYSA-N 1 2 316.405 2.578 20 30 DFEDLO CC[C@@H](C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000593643628 398664687 /nfs/dbraw/zinc/66/46/87/398664687.db2.gz YBWPGNWMLBXURX-IHRRRGAJSA-N 1 2 323.437 2.669 20 30 DFEDLO CC[C@@H](C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000593643628 398664693 /nfs/dbraw/zinc/66/46/93/398664693.db2.gz YBWPGNWMLBXURX-IHRRRGAJSA-N 1 2 323.437 2.669 20 30 DFEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(OC)c1OC ZINC000593649476 398665857 /nfs/dbraw/zinc/66/58/57/398665857.db2.gz IOLWLPVHHQGSRY-UHFFFAOYSA-N 1 2 304.390 2.886 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650023 398665997 /nfs/dbraw/zinc/66/59/97/398665997.db2.gz PNPKJHADVCPWST-UHFFFAOYSA-N 1 2 304.390 2.886 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590855047 398687552 /nfs/dbraw/zinc/68/75/52/398687552.db2.gz PRMDIPUJYJOQRX-INIZCTEOSA-N 1 2 309.373 2.818 20 30 DFEDLO N#Cc1ccccc1OCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860004 398687749 /nfs/dbraw/zinc/68/77/49/398687749.db2.gz JXDJTCZVKZDKNS-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000412839256 398697947 /nfs/dbraw/zinc/69/79/47/398697947.db2.gz LHPJMTSJAGLWAG-DLBZAZTESA-N 1 2 309.413 2.749 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000590961752 398708688 /nfs/dbraw/zinc/70/86/88/398708688.db2.gz QXVJSPWIZAHMHO-DUVNUKRYSA-N 1 2 323.400 2.686 20 30 DFEDLO N#CCCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593965534 398709448 /nfs/dbraw/zinc/70/94/48/398709448.db2.gz SVAOFAUAXLYVND-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)c1 ZINC000590971618 398710837 /nfs/dbraw/zinc/71/08/37/398710837.db2.gz AAMGHHVFHNKDBZ-HIFRSBDPSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Br)c1 ZINC000590971618 398710840 /nfs/dbraw/zinc/71/08/40/398710840.db2.gz AAMGHHVFHNKDBZ-HIFRSBDPSA-N 1 2 321.218 2.932 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597905166 398717381 /nfs/dbraw/zinc/71/73/81/398717381.db2.gz NOSDRDWWHPDHQP-HNNXBMFYSA-N 1 2 310.401 2.887 20 30 DFEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C#N)cn1)CC1CC1 ZINC000594014353 398721784 /nfs/dbraw/zinc/72/17/84/398721784.db2.gz BLMLOCUJEXJTDZ-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C#N)cn1)CC1CC1 ZINC000594014353 398721787 /nfs/dbraw/zinc/72/17/87/398721787.db2.gz BLMLOCUJEXJTDZ-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000594018984 398722730 /nfs/dbraw/zinc/72/27/30/398722730.db2.gz BFQYHCLTCLTWLT-AWEZNQCLSA-N 1 2 308.447 2.688 20 30 DFEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC000110840313 398724592 /nfs/dbraw/zinc/72/45/92/398724592.db2.gz CTTJQPYRKJMTBA-GOSISDBHSA-N 1 2 310.401 2.695 20 30 DFEDLO N#CCCCCCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942825 398725132 /nfs/dbraw/zinc/72/51/32/398725132.db2.gz DETFNBTXHXOAPU-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)C2 ZINC000597954807 398726963 /nfs/dbraw/zinc/72/69/63/398726963.db2.gz LXSGXNYMTDKPAH-CQSZACIVSA-N 1 2 322.412 2.746 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000597954807 398726964 /nfs/dbraw/zinc/72/69/64/398726964.db2.gz LXSGXNYMTDKPAH-CQSZACIVSA-N 1 2 322.412 2.746 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000594040808 398728612 /nfs/dbraw/zinc/72/86/12/398728612.db2.gz IENTWWOCTQRJFX-IOASZLSFSA-N 1 2 308.385 2.756 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000130987115 283067538 /nfs/dbraw/zinc/06/75/38/283067538.db2.gz YBLQKMWFDFXQFP-CQSZACIVSA-N 1 2 323.396 2.615 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000130987115 283067540 /nfs/dbraw/zinc/06/75/40/283067540.db2.gz YBLQKMWFDFXQFP-CQSZACIVSA-N 1 2 323.396 2.615 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1Cc2ccc(Cl)cc2C1 ZINC000591183185 398736784 /nfs/dbraw/zinc/73/67/84/398736784.db2.gz JXECQDHOMNHYQY-UHFFFAOYSA-N 1 2 324.775 2.914 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000598074821 398748554 /nfs/dbraw/zinc/74/85/54/398748554.db2.gz IVDMGUQCVXRODQ-UONOGXRCSA-N 1 2 310.401 2.797 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000598087688 398751560 /nfs/dbraw/zinc/75/15/60/398751560.db2.gz LGNCATAZJXPUQJ-LSDHHAIUSA-N 1 2 310.401 2.933 20 30 DFEDLO COCCCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000591381017 398754959 /nfs/dbraw/zinc/75/49/59/398754959.db2.gz JUXVIERLDLRGOG-UHFFFAOYSA-N 1 2 312.417 2.911 20 30 DFEDLO COCCCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000591381017 398754964 /nfs/dbraw/zinc/75/49/64/398754964.db2.gz JUXVIERLDLRGOG-UHFFFAOYSA-N 1 2 312.417 2.911 20 30 DFEDLO Cn1c2ccccc2[nH+]c1CCSCc1ncc(C#N)cn1 ZINC000591409408 398757259 /nfs/dbraw/zinc/75/72/59/398757259.db2.gz VUERFDWSVAMRNZ-UHFFFAOYSA-N 1 2 309.398 2.711 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H]2CCCn3ncnc32)c(C(F)(F)F)c1 ZINC000356195420 283148157 /nfs/dbraw/zinc/14/81/57/283148157.db2.gz REQJDDWYAKFHCC-ZDUSSCGKSA-N 1 2 321.306 2.793 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000080789334 192190803 /nfs/dbraw/zinc/19/08/03/192190803.db2.gz GYRRTYAPUWXTKW-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000177545657 198743386 /nfs/dbraw/zinc/74/33/86/198743386.db2.gz BHKGGYBWRCMIJO-WCQYABFASA-N 1 2 300.387 2.540 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000594256254 398776062 /nfs/dbraw/zinc/77/60/62/398776062.db2.gz OBOGZSQQHHQCDD-CQSZACIVSA-N 1 2 322.412 2.866 20 30 DFEDLO CC(C)C[C@H](C#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594278834 398778336 /nfs/dbraw/zinc/77/83/36/398778336.db2.gz BAGBDUPENOBKFR-GHMZBOCLSA-N 1 2 316.327 2.511 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CCCCC#N)ccc2n1[C@@H](C)CO ZINC000594369663 398788352 /nfs/dbraw/zinc/78/83/52/398788352.db2.gz UQKDVJMDTIVAOL-LBPRGKRZSA-N 1 2 314.389 2.921 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC2)cc1 ZINC000594402161 398792951 /nfs/dbraw/zinc/79/29/51/398792951.db2.gz DATZXIMAIGMSNN-OAHLLOKOSA-N 1 2 320.396 2.513 20 30 DFEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1C ZINC000591856106 398795614 /nfs/dbraw/zinc/79/56/14/398795614.db2.gz KQEWWFHEAIINML-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552815 398809744 /nfs/dbraw/zinc/80/97/44/398809744.db2.gz CESNLHJJXLBASK-WAVCKPEOSA-N 1 2 306.369 2.701 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000594507514 398812101 /nfs/dbraw/zinc/81/21/01/398812101.db2.gz GCJAJFVJRNVAQH-QMTHXVAHSA-N 1 2 315.352 2.518 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507056 199047414 /nfs/dbraw/zinc/04/74/14/199047414.db2.gz VBJOVJVQFAZCPP-NSHDSACASA-N 1 2 311.227 2.770 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507056 199047416 /nfs/dbraw/zinc/04/74/16/199047416.db2.gz VBJOVJVQFAZCPP-NSHDSACASA-N 1 2 311.227 2.770 20 30 DFEDLO N#Cc1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc1N ZINC000594543067 398818195 /nfs/dbraw/zinc/81/81/95/398818195.db2.gz TUHGYXHFTYBQAF-UHFFFAOYSA-N 1 2 318.384 2.796 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000052110570 398833516 /nfs/dbraw/zinc/83/35/16/398833516.db2.gz OQKWMVNXFVDXNU-UHFFFAOYSA-N 1 2 309.772 2.541 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598589602 398836550 /nfs/dbraw/zinc/83/65/50/398836550.db2.gz GZRUIVMKZXLBIN-QWHCGFSZSA-N 1 2 306.410 2.631 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598589602 398836554 /nfs/dbraw/zinc/83/65/54/398836554.db2.gz GZRUIVMKZXLBIN-QWHCGFSZSA-N 1 2 306.410 2.631 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C#N)cc1 ZINC000076077418 398838017 /nfs/dbraw/zinc/83/80/17/398838017.db2.gz HPVMVFLYBHUBDE-CZUORRHYSA-N 1 2 323.400 2.932 20 30 DFEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000180061889 199112692 /nfs/dbraw/zinc/11/26/92/199112692.db2.gz FLWRTSAEKUJOLI-UHFFFAOYSA-N 1 2 319.474 2.679 20 30 DFEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000180061889 199112694 /nfs/dbraw/zinc/11/26/94/199112694.db2.gz FLWRTSAEKUJOLI-UHFFFAOYSA-N 1 2 319.474 2.679 20 30 DFEDLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000598601857 398839755 /nfs/dbraw/zinc/83/97/55/398839755.db2.gz OZTYUBLWXBZREO-MJBXVCDLSA-N 1 2 312.454 2.633 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000598609277 398840711 /nfs/dbraw/zinc/84/07/11/398840711.db2.gz ZYEGZZRRUNOMDA-CZUORRHYSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000598609277 398840713 /nfs/dbraw/zinc/84/07/13/398840713.db2.gz ZYEGZZRRUNOMDA-CZUORRHYSA-N 1 2 324.371 2.639 20 30 DFEDLO CC1(c2ccccc2)CN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000598640263 398845336 /nfs/dbraw/zinc/84/53/36/398845336.db2.gz XRQPGMCFMJMGRB-UHFFFAOYSA-N 1 2 318.384 2.518 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC1(C#N)CCCCC1 ZINC000594709191 398846625 /nfs/dbraw/zinc/84/66/25/398846625.db2.gz DKUUAGJGKONCGL-RYUDHWBXSA-N 1 2 306.435 2.525 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1CO ZINC000598645289 398846691 /nfs/dbraw/zinc/84/66/91/398846691.db2.gz CBBCBFOEIRNRET-RISCZKNCSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1CO ZINC000598645289 398846695 /nfs/dbraw/zinc/84/66/95/398846695.db2.gz CBBCBFOEIRNRET-RISCZKNCSA-N 1 2 323.234 2.771 20 30 DFEDLO CC(C)(C#N)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000598700915 398857627 /nfs/dbraw/zinc/85/76/27/398857627.db2.gz ROTPGUFWTCHIRJ-AWEZNQCLSA-N 1 2 314.345 2.759 20 30 DFEDLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076408281 398855431 /nfs/dbraw/zinc/85/54/31/398855431.db2.gz VEDXMHVKWOFFFT-JSGCOSHPSA-N 1 2 319.405 2.596 20 30 DFEDLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076408281 398855433 /nfs/dbraw/zinc/85/54/33/398855433.db2.gz VEDXMHVKWOFFFT-JSGCOSHPSA-N 1 2 319.405 2.596 20 30 DFEDLO N#CC1(c2ccc(C[NH2+]Cc3nc([C@H]4CCCO4)n[nH]3)cc2)CC1 ZINC000594944808 398878389 /nfs/dbraw/zinc/87/83/89/398878389.db2.gz CPUGHIKUDIJUOV-OAHLLOKOSA-N 1 2 323.400 2.501 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000143224806 398901716 /nfs/dbraw/zinc/90/17/16/398901716.db2.gz UCBNNKFOABKMMQ-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO CC[N@H+](CCCNC(=O)Cc1ccc(C#N)nc1)c1ccccc1 ZINC000598982209 398903196 /nfs/dbraw/zinc/90/31/96/398903196.db2.gz GQJBCQHCMLCFGG-UHFFFAOYSA-N 1 2 322.412 2.529 20 30 DFEDLO CC[N@@H+](CCCNC(=O)Cc1ccc(C#N)nc1)c1ccccc1 ZINC000598982209 398903201 /nfs/dbraw/zinc/90/32/01/398903201.db2.gz GQJBCQHCMLCFGG-UHFFFAOYSA-N 1 2 322.412 2.529 20 30 DFEDLO Cc1cc(C2([NH2+]Cc3ccc(C#N)cc3F)CCOCC2)on1 ZINC000599020434 398908748 /nfs/dbraw/zinc/90/87/48/398908748.db2.gz NANUCXYBBSQCJD-UHFFFAOYSA-N 1 2 315.348 2.789 20 30 DFEDLO COCCOC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187049973 200053425 /nfs/dbraw/zinc/05/34/25/200053425.db2.gz WMNSEKHIFBLXQX-UHFFFAOYSA-N 1 2 308.809 2.839 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187684618 200144311 /nfs/dbraw/zinc/14/43/11/200144311.db2.gz NGWZEVIPPHQMEW-LPHOPBHVSA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187684618 200144313 /nfs/dbraw/zinc/14/43/13/200144313.db2.gz NGWZEVIPPHQMEW-LPHOPBHVSA-N 1 2 324.428 2.834 20 30 DFEDLO C#CC[NH+](CC#C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000281905663 334991108 /nfs/dbraw/zinc/99/11/08/334991108.db2.gz APJVUXNCHGTOJK-UHFFFAOYSA-N 1 2 305.403 2.559 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000292427837 223072240 /nfs/dbraw/zinc/07/22/40/223072240.db2.gz VVKCQJNMQQUAOG-MRXNPFEDSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000292427837 223072244 /nfs/dbraw/zinc/07/22/44/223072244.db2.gz VVKCQJNMQQUAOG-MRXNPFEDSA-N 1 2 309.369 2.697 20 30 DFEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000599292974 398949090 /nfs/dbraw/zinc/94/90/90/398949090.db2.gz MIUSAWVGQGQTPK-AWEZNQCLSA-N 1 2 308.447 2.512 20 30 DFEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000599292974 398949094 /nfs/dbraw/zinc/94/90/94/398949094.db2.gz MIUSAWVGQGQTPK-AWEZNQCLSA-N 1 2 308.447 2.512 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCC1(C#N)CCCCC1 ZINC000595519793 398955833 /nfs/dbraw/zinc/95/58/33/398955833.db2.gz GXOLQWRHIFFEIB-UHFFFAOYSA-N 1 2 317.437 2.812 20 30 DFEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc(C#N)c2F)n1 ZINC000595526170 398957443 /nfs/dbraw/zinc/95/74/43/398957443.db2.gz KWYZUSMOYHMEGR-UHFFFAOYSA-N 1 2 300.337 2.526 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1C#N ZINC000599352700 398958876 /nfs/dbraw/zinc/95/88/76/398958876.db2.gz FSCMPVPAASCJFF-UHFFFAOYSA-N 1 2 311.429 2.700 20 30 DFEDLO Cc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1C#N ZINC000599352700 398958880 /nfs/dbraw/zinc/95/88/80/398958880.db2.gz FSCMPVPAASCJFF-UHFFFAOYSA-N 1 2 311.429 2.700 20 30 DFEDLO N#Cc1ccc(Br)c(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000599423593 398978523 /nfs/dbraw/zinc/97/85/23/398978523.db2.gz ZSMLXJDPQZHWTN-UHFFFAOYSA-N 1 2 317.190 2.602 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccc(C#N)nc1)CCCC2 ZINC000281488366 216335063 /nfs/dbraw/zinc/33/50/63/216335063.db2.gz NVUGIZKYZQTPFO-QGZVFWFLSA-N 1 2 307.401 2.907 20 30 DFEDLO N#Cc1cc(Br)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599423379 398978144 /nfs/dbraw/zinc/97/81/44/398978144.db2.gz VVEYJAGGDGDGCX-UHFFFAOYSA-N 1 2 317.190 2.602 20 30 DFEDLO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(C(F)(F)F)c1 ZINC000600168463 398985057 /nfs/dbraw/zinc/98/50/57/398985057.db2.gz YFUNTUOAKHFNSG-AWEZNQCLSA-N 1 2 314.307 2.564 20 30 DFEDLO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(C(F)(F)F)c1 ZINC000600168463 398985060 /nfs/dbraw/zinc/98/50/60/398985060.db2.gz YFUNTUOAKHFNSG-AWEZNQCLSA-N 1 2 314.307 2.564 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)C2 ZINC000165246554 398992568 /nfs/dbraw/zinc/99/25/68/398992568.db2.gz FUAFHLWACHIOAP-HZPDHXFCSA-N 1 2 322.412 2.984 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000165246554 398992571 /nfs/dbraw/zinc/99/25/71/398992571.db2.gz FUAFHLWACHIOAP-HZPDHXFCSA-N 1 2 322.412 2.984 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609403 398997873 /nfs/dbraw/zinc/99/78/73/398997873.db2.gz JKFKEAFDVDGMLG-UONOGXRCSA-N 1 2 301.390 2.648 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609403 398997875 /nfs/dbraw/zinc/99/78/75/398997875.db2.gz JKFKEAFDVDGMLG-UONOGXRCSA-N 1 2 301.390 2.648 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)CC2 ZINC000599508010 398998964 /nfs/dbraw/zinc/99/89/64/398998964.db2.gz MAFQEOUUQSBAME-KBXCAEBGSA-N 1 2 314.433 2.733 20 30 DFEDLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)no2)cc1 ZINC000595611137 398999458 /nfs/dbraw/zinc/99/94/58/398999458.db2.gz HIRDZYXGHCIWEZ-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)no2)cc1 ZINC000595611137 398999462 /nfs/dbraw/zinc/99/94/62/398999462.db2.gz HIRDZYXGHCIWEZ-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614890 399001140 /nfs/dbraw/zinc/00/11/40/399001140.db2.gz JAVTWJJEFUKUIG-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614890 399001146 /nfs/dbraw/zinc/00/11/46/399001146.db2.gz JAVTWJJEFUKUIG-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614414 399001315 /nfs/dbraw/zinc/00/13/15/399001315.db2.gz HRMMCHKCJOOJJQ-GUYCJALGSA-N 1 2 315.392 2.771 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614414 399001323 /nfs/dbraw/zinc/00/13/23/399001323.db2.gz HRMMCHKCJOOJJQ-GUYCJALGSA-N 1 2 315.392 2.771 20 30 DFEDLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621041 399005732 /nfs/dbraw/zinc/00/57/32/399005732.db2.gz RMFMVCUDJLWTNV-LBPRGKRZSA-N 1 2 306.435 2.578 20 30 DFEDLO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621041 399005736 /nfs/dbraw/zinc/00/57/36/399005736.db2.gz RMFMVCUDJLWTNV-LBPRGKRZSA-N 1 2 306.435 2.578 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)NCC2(C#N)CCCCC2)c2[nH+]ccn21 ZINC000595645170 399017176 /nfs/dbraw/zinc/01/71/76/399017176.db2.gz VYKOUFTXURUWLN-STQMWFEESA-N 1 2 301.394 2.662 20 30 DFEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cscn2)c(C#N)c1C ZINC000595669602 399027782 /nfs/dbraw/zinc/02/77/82/399027782.db2.gz XAVWIPGIGCXZBO-SECBINFHSA-N 1 2 304.375 2.514 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000599614070 399029603 /nfs/dbraw/zinc/02/96/03/399029603.db2.gz QTQNPJZZSKOYTF-CZUORRHYSA-N 1 2 308.385 2.503 20 30 DFEDLO CCN(CCOC)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)n1 ZINC000595689261 399035330 /nfs/dbraw/zinc/03/53/30/399035330.db2.gz KZBIPFJEAQUIQU-NVXWUHKLSA-N 1 2 316.449 2.726 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595692446 399038274 /nfs/dbraw/zinc/03/82/74/399038274.db2.gz OEFWPAXZFQOSRS-KGLIPLIRSA-N 1 2 301.390 2.614 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595698473 399040572 /nfs/dbraw/zinc/04/05/72/399040572.db2.gz JBRCNQLLYDSQOM-YWPYICTPSA-N 1 2 316.361 2.594 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 ZINC000605719004 399040774 /nfs/dbraw/zinc/04/07/74/399040774.db2.gz MGKWAYWLKXNWEP-MRXNPFEDSA-N 1 2 316.445 2.737 20 30 DFEDLO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000595696900 399041423 /nfs/dbraw/zinc/04/14/23/399041423.db2.gz FJMVTAAMJXZILB-WBVHZDCISA-N 1 2 310.401 2.605 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000255871631 283911566 /nfs/dbraw/zinc/91/15/66/283911566.db2.gz OZAGKNVSNKUMAP-PLNGDYQASA-N 1 2 302.337 2.536 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccc(Br)cc2C#N)C[C@H](C)C1O ZINC000595731242 399059968 /nfs/dbraw/zinc/05/99/68/399059968.db2.gz COSAOJVGUQGPTQ-QWRGUYRKSA-N 1 2 323.234 2.769 20 30 DFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000599689897 399065903 /nfs/dbraw/zinc/06/59/03/399065903.db2.gz LLOZIWCPGFZQKC-INIZCTEOSA-N 1 2 305.809 2.702 20 30 DFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000599689897 399065910 /nfs/dbraw/zinc/06/59/10/399065910.db2.gz LLOZIWCPGFZQKC-INIZCTEOSA-N 1 2 305.809 2.702 20 30 DFEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000595766031 399077006 /nfs/dbraw/zinc/07/70/06/399077006.db2.gz QQANVQSHPDBITM-UHFFFAOYSA-N 1 2 306.431 2.618 20 30 DFEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000595766031 399077010 /nfs/dbraw/zinc/07/70/10/399077010.db2.gz QQANVQSHPDBITM-UHFFFAOYSA-N 1 2 306.431 2.618 20 30 DFEDLO CCN(Cc1cn2cc(Br)ccc2[nH+]1)[C@@H](C)C#N ZINC000595812033 399094776 /nfs/dbraw/zinc/09/47/76/399094776.db2.gz CIWGEOXGDMNCRZ-JTQLQIEISA-N 1 2 307.195 2.831 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccon2)CC1 ZINC000595833813 399105117 /nfs/dbraw/zinc/10/51/17/399105117.db2.gz NWHJSTMDPHCWJI-CYBMUJFWSA-N 1 2 324.384 2.753 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000595834310 399105051 /nfs/dbraw/zinc/10/50/51/399105051.db2.gz IROWWBSWAWUAKF-QGZVFWFLSA-N 1 2 317.458 2.521 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000595834310 399105056 /nfs/dbraw/zinc/10/50/56/399105056.db2.gz IROWWBSWAWUAKF-QGZVFWFLSA-N 1 2 317.458 2.521 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839291 399108173 /nfs/dbraw/zinc/10/81/73/399108173.db2.gz HMZZQFUYAUBSPK-DOTOQJQBSA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839291 399108177 /nfs/dbraw/zinc/10/81/77/399108177.db2.gz HMZZQFUYAUBSPK-DOTOQJQBSA-N 1 2 301.365 2.557 20 30 DFEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104754 193204388 /nfs/dbraw/zinc/20/43/88/193204388.db2.gz SWGCOVYXKMCAKD-MRXNPFEDSA-N 1 2 311.410 2.857 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104754 193204390 /nfs/dbraw/zinc/20/43/90/193204390.db2.gz SWGCOVYXKMCAKD-MRXNPFEDSA-N 1 2 311.410 2.857 20 30 DFEDLO O=C(NCC#Cc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614104 399139796 /nfs/dbraw/zinc/13/97/96/399139796.db2.gz RZQZHBPQARFKNL-UHFFFAOYSA-N 1 2 315.376 2.713 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)cc1C#N ZINC000600794295 399149146 /nfs/dbraw/zinc/14/91/46/399149146.db2.gz SBZLJSAAXXSHMI-UHFFFAOYSA-N 1 2 320.396 2.630 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000614171575 399169267 /nfs/dbraw/zinc/16/92/67/399169267.db2.gz RWUISLWFMUANQR-UHFFFAOYSA-N 1 2 308.809 2.575 20 30 DFEDLO COc1cc(C[N@H+](C)Cc2nccn2C(F)F)ccc1C#N ZINC000282518584 217057428 /nfs/dbraw/zinc/05/74/28/217057428.db2.gz ZNOHSHQOSXQRJY-UHFFFAOYSA-N 1 2 306.316 2.790 20 30 DFEDLO COc1cc(C[N@@H+](C)Cc2nccn2C(F)F)ccc1C#N ZINC000282518584 217057430 /nfs/dbraw/zinc/05/74/30/217057430.db2.gz ZNOHSHQOSXQRJY-UHFFFAOYSA-N 1 2 306.316 2.790 20 30 DFEDLO C[C@@H](c1cccc(O)c1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000596146584 399190543 /nfs/dbraw/zinc/19/05/43/399190543.db2.gz DQVBQENVFMUHPN-LBPRGKRZSA-N 1 2 322.372 2.643 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 ZINC000614293121 399199529 /nfs/dbraw/zinc/19/95/29/399199529.db2.gz WVYYSRFSFFTNJW-UHFFFAOYSA-N 1 2 323.396 2.910 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 ZINC000614293121 399199533 /nfs/dbraw/zinc/19/95/33/399199533.db2.gz WVYYSRFSFFTNJW-UHFFFAOYSA-N 1 2 323.396 2.910 20 30 DFEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000081017910 399203327 /nfs/dbraw/zinc/20/33/27/399203327.db2.gz NGJZPNMPOYULJQ-ZZFFKQLHSA-N 1 2 303.450 2.695 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000081017910 399203330 /nfs/dbraw/zinc/20/33/30/399203330.db2.gz NGJZPNMPOYULJQ-ZZFFKQLHSA-N 1 2 303.450 2.695 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C#N)CC3(CC3)C2)c1C ZINC000601022371 399205038 /nfs/dbraw/zinc/20/50/38/399205038.db2.gz JMLGSIRYNAGNKA-UHFFFAOYSA-N 1 2 313.401 2.749 20 30 DFEDLO N#CCc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000601040630 399209076 /nfs/dbraw/zinc/20/90/76/399209076.db2.gz YEAGRHOBDWOGAY-UHFFFAOYSA-N 1 2 308.385 2.770 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000017843262 182086967 /nfs/dbraw/zinc/08/69/67/182086967.db2.gz JQVBNBRLWQDRNR-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000017843323 182087258 /nfs/dbraw/zinc/08/72/58/182087258.db2.gz VZTJSAYFCMZXFV-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000614403865 399227006 /nfs/dbraw/zinc/22/70/06/399227006.db2.gz SXHKHEXOXDODRJ-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000614403865 399227011 /nfs/dbraw/zinc/22/70/11/399227011.db2.gz SXHKHEXOXDODRJ-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000192224256 335024051 /nfs/dbraw/zinc/02/40/51/335024051.db2.gz XZUDMFWDRMOYRE-UHFFFAOYSA-N 1 2 306.409 2.799 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000192224256 335024052 /nfs/dbraw/zinc/02/40/52/335024052.db2.gz XZUDMFWDRMOYRE-UHFFFAOYSA-N 1 2 306.409 2.799 20 30 DFEDLO C#CCOc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267464291 206086233 /nfs/dbraw/zinc/08/62/33/206086233.db2.gz RPSCGIMTDHZFTK-UHFFFAOYSA-N 1 2 324.384 2.833 20 30 DFEDLO C#CCCCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000192157250 335026799 /nfs/dbraw/zinc/02/67/99/335026799.db2.gz KWEPOVLRUFJIJC-UHFFFAOYSA-N 1 2 309.413 2.936 20 30 DFEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000192163282 335027056 /nfs/dbraw/zinc/02/70/56/335027056.db2.gz VYAKPFFMNMMCPV-UHFFFAOYSA-N 1 2 310.363 2.997 20 30 DFEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000192163282 335027057 /nfs/dbraw/zinc/02/70/57/335027057.db2.gz VYAKPFFMNMMCPV-UHFFFAOYSA-N 1 2 310.363 2.997 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000192196985 335027482 /nfs/dbraw/zinc/02/74/82/335027482.db2.gz CGLUTOFFYBPRGC-WBVHZDCISA-N 1 2 306.356 2.630 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000192196985 335027484 /nfs/dbraw/zinc/02/74/84/335027484.db2.gz CGLUTOFFYBPRGC-WBVHZDCISA-N 1 2 306.356 2.630 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000618905469 399255516 /nfs/dbraw/zinc/25/55/16/399255516.db2.gz DQHPIQPJTWPXIZ-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000618905469 399255517 /nfs/dbraw/zinc/25/55/17/399255517.db2.gz DQHPIQPJTWPXIZ-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000614962390 399285594 /nfs/dbraw/zinc/28/55/94/399285594.db2.gz AHFUYYQYBZVQKC-CJNGLKHVSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000614962390 399285595 /nfs/dbraw/zinc/28/55/95/399285595.db2.gz AHFUYYQYBZVQKC-CJNGLKHVSA-N 1 2 316.401 2.662 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619067536 399286328 /nfs/dbraw/zinc/28/63/28/399286328.db2.gz CTNVDJPTEZQFKV-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO C=CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000622944572 399300978 /nfs/dbraw/zinc/30/09/78/399300978.db2.gz XUYUBAMBAVKMBS-KRWDZBQOSA-N 1 2 316.445 2.701 20 30 DFEDLO C=CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000622944572 399300979 /nfs/dbraw/zinc/30/09/79/399300979.db2.gz XUYUBAMBAVKMBS-KRWDZBQOSA-N 1 2 316.445 2.701 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601582418 399303016 /nfs/dbraw/zinc/30/30/16/399303016.db2.gz UYNAIUZKSMLGGB-UHFFFAOYSA-N 1 2 310.401 2.861 20 30 DFEDLO C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(O)c1 ZINC000609115224 399303982 /nfs/dbraw/zinc/30/39/82/399303982.db2.gz POIPZEMMHVGMOV-NSHDSACASA-N 1 2 308.345 2.619 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609131301 399304551 /nfs/dbraw/zinc/30/45/51/399304551.db2.gz MJAOISOZQRELSB-QGZVFWFLSA-N 1 2 308.385 2.551 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000609313585 399313224 /nfs/dbraw/zinc/31/32/24/399313224.db2.gz FXMAMRSZCJVSFS-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000609313585 399313228 /nfs/dbraw/zinc/31/32/28/399313228.db2.gz FXMAMRSZCJVSFS-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000615227683 399314368 /nfs/dbraw/zinc/31/43/68/399314368.db2.gz GFFUCJYQQAJTNG-CVEARBPZSA-N 1 2 306.793 2.591 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000615227683 399314371 /nfs/dbraw/zinc/31/43/71/399314371.db2.gz GFFUCJYQQAJTNG-CVEARBPZSA-N 1 2 306.793 2.591 20 30 DFEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000615224038 399314703 /nfs/dbraw/zinc/31/47/03/399314703.db2.gz ZDAMLXKXKYXUTC-UHFFFAOYSA-N 1 2 303.381 2.600 20 30 DFEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000615224038 399314705 /nfs/dbraw/zinc/31/47/05/399314705.db2.gz ZDAMLXKXKYXUTC-UHFFFAOYSA-N 1 2 303.381 2.600 20 30 DFEDLO Cc1noc(C)c1[C@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000609613591 399326397 /nfs/dbraw/zinc/32/63/97/399326397.db2.gz KMQGIZOAPWZCRS-VIFPVBQESA-N 1 2 311.349 2.518 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727735 399328963 /nfs/dbraw/zinc/32/89/63/399328963.db2.gz INKYPUZFNPNDPY-UHFFFAOYSA-N 1 2 315.417 2.510 20 30 DFEDLO CCN(c1[nH+]cnc2c1cnn2CCC#N)[C@H](C)c1cccnc1 ZINC000609670926 399329627 /nfs/dbraw/zinc/32/96/27/399329627.db2.gz XQSOGHOZMBKRFG-CYBMUJFWSA-N 1 2 321.388 2.722 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H]1c1ccco1 ZINC000609704318 399330244 /nfs/dbraw/zinc/33/02/44/399330244.db2.gz MTADHBFPOOILNN-CYBMUJFWSA-N 1 2 308.345 2.674 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268377738 206671907 /nfs/dbraw/zinc/67/19/07/206671907.db2.gz MCBZBCUFCBNNJW-FVQGUVRESA-N 1 2 320.396 2.878 20 30 DFEDLO CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000601808789 399340313 /nfs/dbraw/zinc/34/03/13/399340313.db2.gz XHTZTIBRTAJKHF-NVXWUHKLSA-N 1 2 308.385 2.565 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601823480 399343643 /nfs/dbraw/zinc/34/36/43/399343643.db2.gz XABJWBFEZIQJBZ-HOCLYGCPSA-N 1 2 310.401 2.886 20 30 DFEDLO Cc1coc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284515105 218060106 /nfs/dbraw/zinc/06/01/06/218060106.db2.gz NDRQVZNYEIMUGH-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO Cc1cc(N2CC[C@](F)(C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000615531966 399348827 /nfs/dbraw/zinc/34/88/27/399348827.db2.gz VABGWISVRZMGGW-HNNXBMFYSA-N 1 2 300.293 2.893 20 30 DFEDLO N#Cc1cc(NCc2cn3c([nH+]2)CCCC3)c2ccccc2n1 ZINC000610275741 399352693 /nfs/dbraw/zinc/35/26/93/399352693.db2.gz CYIMEDXHPRPVAY-UHFFFAOYSA-N 1 2 303.369 2.673 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2NCc1cn2c([nH+]1)CCCC2 ZINC000610275771 399352753 /nfs/dbraw/zinc/35/27/53/399352753.db2.gz HAYMUDMOLWIZFC-UHFFFAOYSA-N 1 2 317.396 2.982 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2n1C ZINC000610310308 399356263 /nfs/dbraw/zinc/35/62/63/399356263.db2.gz LZLJXXNZMNOOJB-UHFFFAOYSA-N 1 2 320.352 2.771 20 30 DFEDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000601927473 399359410 /nfs/dbraw/zinc/35/94/10/399359410.db2.gz DUGXTNNQBVOYIK-NOLJZWGESA-N 1 2 302.374 2.581 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000610408333 399364834 /nfs/dbraw/zinc/36/48/34/399364834.db2.gz TUKQFPPNRFJYHS-WMLDXEAASA-N 1 2 323.400 2.862 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000619621039 399369040 /nfs/dbraw/zinc/36/90/40/399369040.db2.gz NSPOXZHSDHSPAX-IBGZPJMESA-N 1 2 308.429 2.901 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610453155 399369719 /nfs/dbraw/zinc/36/97/19/399369719.db2.gz WXCWDLUCUMEPKR-CJNGLKHVSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610453155 399369722 /nfs/dbraw/zinc/36/97/22/399369722.db2.gz WXCWDLUCUMEPKR-CJNGLKHVSA-N 1 2 316.401 2.662 20 30 DFEDLO N#C[C@@]1(F)CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000615661332 399369828 /nfs/dbraw/zinc/36/98/28/399369828.db2.gz FFBRXDBIWTXAIT-KRWDZBQOSA-N 1 2 311.316 2.952 20 30 DFEDLO CCS[C@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610489344 399372157 /nfs/dbraw/zinc/37/21/57/399372157.db2.gz JGPLFJICLKDOPY-OLZOCXBDSA-N 1 2 316.434 2.826 20 30 DFEDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610542606 399379032 /nfs/dbraw/zinc/37/90/32/399379032.db2.gz ILBQMXMTFIFQJE-ZDUSSCGKSA-N 1 2 323.400 2.702 20 30 DFEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000619702033 399380171 /nfs/dbraw/zinc/38/01/71/399380171.db2.gz DGYGEZJQSVXVTO-IXDOHACOSA-N 1 2 303.402 2.780 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000623407784 399382064 /nfs/dbraw/zinc/38/20/64/399382064.db2.gz WWUKYTQMMXPBGF-OAHLLOKOSA-N 1 2 314.433 2.789 20 30 DFEDLO CCc1c[nH]c(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[nH+]1 ZINC000602052481 399389790 /nfs/dbraw/zinc/38/97/90/399389790.db2.gz OJCFDDCWHYBQKX-UHFFFAOYSA-N 1 2 308.385 2.577 20 30 DFEDLO CC(C)C[C@H](C(=O)NCc1ccc(C#N)cc1F)n1cc[nH+]c1 ZINC000602094174 399394388 /nfs/dbraw/zinc/39/43/88/399394388.db2.gz MPOPSCVTXXYQDT-MRXNPFEDSA-N 1 2 314.364 2.797 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602155569 399402335 /nfs/dbraw/zinc/40/23/35/399402335.db2.gz NQGVYOZWEZXTQX-LLVKDONJSA-N 1 2 316.327 2.823 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)sn1 ZINC000616009477 399411470 /nfs/dbraw/zinc/41/14/70/399411470.db2.gz WLHVWRVNFXEMIW-QGZVFWFLSA-N 1 2 312.442 2.834 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000602261469 399416046 /nfs/dbraw/zinc/41/60/46/399416046.db2.gz HMHXWUTTWUPDON-WMLDXEAASA-N 1 2 323.400 2.690 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000602322334 399424098 /nfs/dbraw/zinc/42/40/98/399424098.db2.gz ZEWYCYCFUUQXKT-OAHLLOKOSA-N 1 2 311.389 2.986 20 30 DFEDLO CC[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000610993323 399425751 /nfs/dbraw/zinc/42/57/51/399425751.db2.gz NAAICFCJIXKUGV-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000610993323 399425755 /nfs/dbraw/zinc/42/57/55/399425755.db2.gz NAAICFCJIXKUGV-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO COc1cccc([C@H]2C[N@H+](Cc3ccnc(C#N)c3)CCO2)c1 ZINC000610994529 399425950 /nfs/dbraw/zinc/42/59/50/399425950.db2.gz SVPMQNSUEUALPW-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cccc([C@H]2C[N@@H+](Cc3ccnc(C#N)c3)CCO2)c1 ZINC000610994529 399425952 /nfs/dbraw/zinc/42/59/52/399425952.db2.gz SVPMQNSUEUALPW-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)ccn1 ZINC000610993502 399425987 /nfs/dbraw/zinc/42/59/87/399425987.db2.gz VIFIAEFLKKRMSY-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1F ZINC000602335955 399426529 /nfs/dbraw/zinc/42/65/29/399426529.db2.gz VWCUEWQFIYHMBJ-ZDUSSCGKSA-N 1 2 318.179 2.706 20 30 DFEDLO N#C[C@@H]1C[N@H+](CCC2CCOCC2)CCN1Cc1ccccc1 ZINC000616169469 399428982 /nfs/dbraw/zinc/42/89/82/399428982.db2.gz WHRWHUQPCYJQDT-LJQANCHMSA-N 1 2 313.445 2.513 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CCC2CCOCC2)CCN1Cc1ccccc1 ZINC000616169469 399428983 /nfs/dbraw/zinc/42/89/83/399428983.db2.gz WHRWHUQPCYJQDT-LJQANCHMSA-N 1 2 313.445 2.513 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000611121585 399436267 /nfs/dbraw/zinc/43/62/67/399436267.db2.gz XTRYYPQDMWISJP-CZUORRHYSA-N 1 2 323.400 2.552 20 30 DFEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(CCC#N)CC1 ZINC000611175660 399441591 /nfs/dbraw/zinc/44/15/91/399441591.db2.gz CYUZMOXRPWOHMF-OAHLLOKOSA-N 1 2 310.401 2.934 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000061891882 184192995 /nfs/dbraw/zinc/19/29/95/184192995.db2.gz LWLFYBTYPZZHGR-BXKDBHETSA-N 1 2 323.190 2.960 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1cc(C#N)cs1)C1CCCCC1 ZINC000611254504 399451826 /nfs/dbraw/zinc/45/18/26/399451826.db2.gz WQCBCJGGIUYIPG-UHFFFAOYSA-N 1 2 305.447 2.843 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1cc(C#N)cs1)C1CCCCC1 ZINC000611254504 399451828 /nfs/dbraw/zinc/45/18/28/399451828.db2.gz WQCBCJGGIUYIPG-UHFFFAOYSA-N 1 2 305.447 2.843 20 30 DFEDLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C#N)c1 ZINC000611389410 399469810 /nfs/dbraw/zinc/46/98/10/399469810.db2.gz VPXDTCBCDFYPFP-VIFPVBQESA-N 1 2 310.279 2.897 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)ccn1 ZINC000611500929 399482425 /nfs/dbraw/zinc/48/24/25/399482425.db2.gz CZHBSMGLDBPQNN-UHFFFAOYSA-N 1 2 315.380 2.697 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)ccn1 ZINC000611500929 399482427 /nfs/dbraw/zinc/48/24/27/399482427.db2.gz CZHBSMGLDBPQNN-UHFFFAOYSA-N 1 2 315.380 2.697 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1F ZINC000611502541 399484046 /nfs/dbraw/zinc/48/40/46/399484046.db2.gz VEYXHMZPILTRJU-BXUZGUMPSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1F ZINC000611502541 399484047 /nfs/dbraw/zinc/48/40/47/399484047.db2.gz VEYXHMZPILTRJU-BXUZGUMPSA-N 1 2 300.337 2.788 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000611553345 399491472 /nfs/dbraw/zinc/49/14/72/399491472.db2.gz XDEHZKGJAFJSLX-SFHVURJKSA-N 1 2 310.376 2.603 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000611566022 399492518 /nfs/dbraw/zinc/49/25/18/399492518.db2.gz LOFLOTJXVPRWQR-IAQYHMDHSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000611566022 399492520 /nfs/dbraw/zinc/49/25/20/399492520.db2.gz LOFLOTJXVPRWQR-IAQYHMDHSA-N 1 2 308.385 2.572 20 30 DFEDLO N#Cc1cccc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000602626567 399495186 /nfs/dbraw/zinc/49/51/86/399495186.db2.gz ZPPZPAFERDINMV-KRWDZBQOSA-N 1 2 307.401 2.892 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578172 399495654 /nfs/dbraw/zinc/49/56/54/399495654.db2.gz NVPRUFOWCOWFHI-RISCZKNCSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578172 399495658 /nfs/dbraw/zinc/49/56/58/399495658.db2.gz NVPRUFOWCOWFHI-RISCZKNCSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578417 399496178 /nfs/dbraw/zinc/49/61/78/399496178.db2.gz CWAFMQBVNKPCSJ-AAEUAGOBSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578417 399496181 /nfs/dbraw/zinc/49/61/81/399496181.db2.gz CWAFMQBVNKPCSJ-AAEUAGOBSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578419 399496754 /nfs/dbraw/zinc/49/67/54/399496754.db2.gz CWAFMQBVNKPCSJ-WCQYABFASA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578419 399496755 /nfs/dbraw/zinc/49/67/55/399496755.db2.gz CWAFMQBVNKPCSJ-WCQYABFASA-N 1 2 323.343 2.589 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602636164 399498388 /nfs/dbraw/zinc/49/83/88/399498388.db2.gz HEQPDHXJQFNHSH-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602636164 399498392 /nfs/dbraw/zinc/49/83/92/399498392.db2.gz HEQPDHXJQFNHSH-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO CCn1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000616786459 399512195 /nfs/dbraw/zinc/51/21/95/399512195.db2.gz ZYGCMVJINHWYDP-UHFFFAOYSA-N 1 2 311.385 2.798 20 30 DFEDLO CCn1ccc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000616786459 399512200 /nfs/dbraw/zinc/51/22/00/399512200.db2.gz ZYGCMVJINHWYDP-UHFFFAOYSA-N 1 2 311.385 2.798 20 30 DFEDLO N#Cc1ccncc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000269966834 208019022 /nfs/dbraw/zinc/01/90/22/208019022.db2.gz NIWRDDBGTWMGIK-OAHLLOKOSA-N 1 2 314.414 2.500 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cn2c(cccc2C)[nH+]1)OCC ZINC000270022769 208077118 /nfs/dbraw/zinc/07/71/18/208077118.db2.gz DWSSQFLWYXSPGD-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]2CCCC[C@H]12 ZINC000611764229 399522371 /nfs/dbraw/zinc/52/23/71/399522371.db2.gz JVNQRZKCSTXCJH-NFAWXSAZSA-N 1 2 310.405 2.755 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc(C#N)c3)c2cc1C ZINC000270117184 208175429 /nfs/dbraw/zinc/17/54/29/208175429.db2.gz MCJLNWVWIHQOKF-MRXNPFEDSA-N 1 2 321.380 2.965 20 30 DFEDLO C=CCNC(=O)[C@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270138530 208199669 /nfs/dbraw/zinc/19/96/69/208199669.db2.gz QNBNNCHRIOFQSF-AWEZNQCLSA-N 1 2 322.412 2.704 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000602705667 399530226 /nfs/dbraw/zinc/53/02/26/399530226.db2.gz BNUAFMJQZHDFQE-GXTWGEPZSA-N 1 2 318.421 2.547 20 30 DFEDLO CCOC(=O)[C@]1([NH2+]C[C@H](C)CCC#N)CCc2ccccc21 ZINC000602727292 399543010 /nfs/dbraw/zinc/54/30/10/399543010.db2.gz CIONWYQJJIKINN-KDOFPFPSSA-N 1 2 300.402 2.921 20 30 DFEDLO CCOC(=O)[C@@]1([NH2+]C[C@@H](C)CCC#N)CCc2ccccc21 ZINC000602727290 399542667 /nfs/dbraw/zinc/54/26/67/399542667.db2.gz CIONWYQJJIKINN-KBXCAEBGSA-N 1 2 300.402 2.921 20 30 DFEDLO C=C(C)C[C@@H](NCc1[nH+]ccn1Cc1ccccc1)C(=O)OC ZINC000602735168 399548348 /nfs/dbraw/zinc/54/83/48/399548348.db2.gz SZVVORJKOZWLPB-MRXNPFEDSA-N 1 2 313.401 2.529 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(OC)n1 ZINC000625422212 399550936 /nfs/dbraw/zinc/55/09/36/399550936.db2.gz FOGJCOAPCHALGE-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(OC)n1 ZINC000625422212 399550941 /nfs/dbraw/zinc/55/09/41/399550941.db2.gz FOGJCOAPCHALGE-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602757556 399558221 /nfs/dbraw/zinc/55/82/21/399558221.db2.gz ARHROIWLXINRLO-UHFFFAOYSA-N 1 2 307.344 2.919 20 30 DFEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000271019735 208555975 /nfs/dbraw/zinc/55/59/75/208555975.db2.gz AGBSQIQFSKBCEQ-WMLDXEAASA-N 1 2 322.412 2.992 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602757556 399558224 /nfs/dbraw/zinc/55/82/24/399558224.db2.gz ARHROIWLXINRLO-UHFFFAOYSA-N 1 2 307.344 2.919 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCc2occc2C1 ZINC000288708666 220360857 /nfs/dbraw/zinc/36/08/57/220360857.db2.gz FENHROMQHGINKZ-CYBMUJFWSA-N 1 2 309.369 2.927 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCc2occc2C1 ZINC000288708666 220360861 /nfs/dbraw/zinc/36/08/61/220360861.db2.gz FENHROMQHGINKZ-CYBMUJFWSA-N 1 2 309.369 2.927 20 30 DFEDLO CC(C)c1noc([C@@H](C)N2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000602777879 399568389 /nfs/dbraw/zinc/56/83/89/399568389.db2.gz VQXMQMHWRUHDBU-CQSZACIVSA-N 1 2 317.437 2.565 20 30 DFEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000602777731 399568643 /nfs/dbraw/zinc/56/86/43/399568643.db2.gz KSWFVJDGWALSHS-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000602777731 399568647 /nfs/dbraw/zinc/56/86/47/399568647.db2.gz KSWFVJDGWALSHS-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602784889 399572069 /nfs/dbraw/zinc/57/20/69/399572069.db2.gz SDYMCVJEZCAHGI-CYBMUJFWSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602784889 399572071 /nfs/dbraw/zinc/57/20/71/399572071.db2.gz SDYMCVJEZCAHGI-CYBMUJFWSA-N 1 2 306.410 2.929 20 30 DFEDLO C=CCN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000157358793 197182006 /nfs/dbraw/zinc/18/20/06/197182006.db2.gz WJCUJMUCEYDUIW-UHFFFAOYSA-N 1 2 300.362 2.612 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162524 399595942 /nfs/dbraw/zinc/59/59/42/399595942.db2.gz OHHZLVIGTOLMAH-KBXCAEBGSA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162524 399595946 /nfs/dbraw/zinc/59/59/46/399595946.db2.gz OHHZLVIGTOLMAH-KBXCAEBGSA-N 1 2 317.408 2.798 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162820 399595977 /nfs/dbraw/zinc/59/59/77/399595977.db2.gz MXYKJPMRPSTOFM-APWZRJJASA-N 1 2 313.445 2.668 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162820 399595981 /nfs/dbraw/zinc/59/59/81/399595981.db2.gz MXYKJPMRPSTOFM-APWZRJJASA-N 1 2 313.445 2.668 20 30 DFEDLO C=CCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156582625 197124979 /nfs/dbraw/zinc/12/49/79/197124979.db2.gz DLBCCDOOKVXHBA-GASCZTMLSA-N 1 2 317.433 2.946 20 30 DFEDLO C=CCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156582625 197124981 /nfs/dbraw/zinc/12/49/81/197124981.db2.gz DLBCCDOOKVXHBA-GASCZTMLSA-N 1 2 317.433 2.946 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602858548 399606045 /nfs/dbraw/zinc/60/60/45/399606045.db2.gz SQUMYOFJPGKXQT-BETUJISGSA-N 1 2 309.360 2.706 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602858548 399606041 /nfs/dbraw/zinc/60/60/41/399606041.db2.gz SQUMYOFJPGKXQT-BETUJISGSA-N 1 2 309.360 2.706 20 30 DFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602862175 399607204 /nfs/dbraw/zinc/60/72/04/399607204.db2.gz MRSLNWPKABFKQI-MGPQQGTHSA-N 1 2 304.438 2.951 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c(Br)c1 ZINC000602865353 399608089 /nfs/dbraw/zinc/60/80/89/399608089.db2.gz XNRJOCJCQXXGOV-QWRGUYRKSA-N 1 2 324.222 2.976 20 30 DFEDLO CCN(C(=O)C[NH2+][C@H](C)CC#N)c1nc2ccccc2s1 ZINC000602868152 399608743 /nfs/dbraw/zinc/60/87/43/399608743.db2.gz HIHAHYRCIGTSAC-LLVKDONJSA-N 1 2 302.403 2.541 20 30 DFEDLO Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)CC#N)n2)cc1 ZINC000602869878 399609794 /nfs/dbraw/zinc/60/97/94/399609794.db2.gz QEAPNJPDCLTWBB-GFCCVEGCSA-N 1 2 314.414 2.949 20 30 DFEDLO N#Cc1ccsc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000052034029 542445287 /nfs/dbraw/zinc/44/52/87/542445287.db2.gz WALFBASROYZDOU-UHFFFAOYSA-N 1 2 317.439 2.639 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000055083007 542453884 /nfs/dbraw/zinc/45/38/84/542453884.db2.gz JLOFSADNJIFESK-CYBMUJFWSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000055083007 542453886 /nfs/dbraw/zinc/45/38/86/542453886.db2.gz JLOFSADNJIFESK-CYBMUJFWSA-N 1 2 303.406 2.751 20 30 DFEDLO CCn1c(C)nnc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893155 399617477 /nfs/dbraw/zinc/61/74/77/399617477.db2.gz BHPQRQNOWFCUPV-UHFFFAOYSA-N 1 2 324.432 2.555 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602895503 399618218 /nfs/dbraw/zinc/61/82/18/399618218.db2.gz PGJVLMFWVNYXRZ-GFCCVEGCSA-N 1 2 311.389 2.887 20 30 DFEDLO COC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602910650 399622847 /nfs/dbraw/zinc/62/28/47/399622847.db2.gz BZDUEMZWGCPISL-KRWDZBQOSA-N 1 2 308.422 2.503 20 30 DFEDLO COC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602910650 399622853 /nfs/dbraw/zinc/62/28/53/399622853.db2.gz BZDUEMZWGCPISL-KRWDZBQOSA-N 1 2 308.422 2.503 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nccn3C(F)F)CC2)nc1 ZINC000602912184 399623349 /nfs/dbraw/zinc/62/33/49/399623349.db2.gz LPOKEZLYESIYTR-UHFFFAOYSA-N 1 2 317.343 2.924 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)nc1 ZINC000602909780 399623585 /nfs/dbraw/zinc/62/35/85/399623585.db2.gz OMJYSFWGXAFVST-UHFFFAOYSA-N 1 2 309.373 2.593 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000624292546 399628597 /nfs/dbraw/zinc/62/85/97/399628597.db2.gz UXTXSMPUJGVUAG-HNNXBMFYSA-N 1 2 312.417 2.793 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000612365570 399633259 /nfs/dbraw/zinc/63/32/59/399633259.db2.gz KBZMNKNWUWOSIW-SFHVURJKSA-N 1 2 308.385 2.697 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cocn3)CC2)c(F)c1 ZINC000289863858 221278442 /nfs/dbraw/zinc/27/84/42/221278442.db2.gz VNILMFHJYJQROA-UHFFFAOYSA-N 1 2 301.321 2.729 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1F ZINC000289891583 221296058 /nfs/dbraw/zinc/29/60/58/221296058.db2.gz MVQLETCGKSGFMT-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1F ZINC000289891583 221296060 /nfs/dbraw/zinc/29/60/60/221296060.db2.gz MVQLETCGKSGFMT-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO C#CC[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(F)cc1 ZINC000289337498 335057876 /nfs/dbraw/zinc/05/78/76/335057876.db2.gz LMJHHAZWWWKOPR-GFCCVEGCSA-N 1 2 304.390 2.971 20 30 DFEDLO C#CC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(F)cc1 ZINC000289337498 335057877 /nfs/dbraw/zinc/05/78/77/335057877.db2.gz LMJHHAZWWWKOPR-GFCCVEGCSA-N 1 2 304.390 2.971 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069355 399671141 /nfs/dbraw/zinc/67/11/41/399671141.db2.gz BDZFCRXQVNWOKH-UHFFFAOYSA-N 1 2 315.352 2.872 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977271 399645931 /nfs/dbraw/zinc/64/59/31/399645931.db2.gz ZYEOFGRUQHGGEK-UNEWFSDZSA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977271 399645936 /nfs/dbraw/zinc/64/59/36/399645936.db2.gz ZYEOFGRUQHGGEK-UNEWFSDZSA-N 1 2 317.408 2.969 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)C2CC2)o1 ZINC000602978833 399646623 /nfs/dbraw/zinc/64/66/23/399646623.db2.gz XDMSQWRZQFGOOA-RHSMWYFYSA-N 1 2 315.417 2.703 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)C2CC2)o1 ZINC000602978833 399646627 /nfs/dbraw/zinc/64/66/27/399646627.db2.gz XDMSQWRZQFGOOA-RHSMWYFYSA-N 1 2 315.417 2.703 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1C#N ZINC000602986395 399651308 /nfs/dbraw/zinc/65/13/08/399651308.db2.gz ADLIOBOYYCQSID-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO Cc1ccc(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1C#N ZINC000602986395 399651312 /nfs/dbraw/zinc/65/13/12/399651312.db2.gz ADLIOBOYYCQSID-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1cncn1CC ZINC000624459214 399678020 /nfs/dbraw/zinc/67/80/20/399678020.db2.gz HUCZNSHUADGILC-INIZCTEOSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1cncn1CC ZINC000624459214 399678026 /nfs/dbraw/zinc/67/80/26/399678026.db2.gz HUCZNSHUADGILC-INIZCTEOSA-N 1 2 318.465 2.855 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccnc(C#N)c1 ZINC000603126432 399688707 /nfs/dbraw/zinc/68/87/07/399688707.db2.gz OWSDCTICJWULCP-OAHLLOKOSA-N 1 2 324.388 2.929 20 30 DFEDLO C=CCCC1(CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CCCC1 ZINC000617417769 399696799 /nfs/dbraw/zinc/69/67/99/399696799.db2.gz GFRKULMKMYIAQI-INIZCTEOSA-N 1 2 318.465 2.666 20 30 DFEDLO CC[C@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000612799476 399726395 /nfs/dbraw/zinc/72/63/95/399726395.db2.gz CMKIFMSOGPFKCU-SECBINFHSA-N 1 2 312.299 2.883 20 30 DFEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000289644697 335062331 /nfs/dbraw/zinc/06/23/31/335062331.db2.gz XUIVSVPOVUTOQR-UHFFFAOYSA-N 1 2 321.424 2.768 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132684 399768021 /nfs/dbraw/zinc/76/80/21/399768021.db2.gz TXSKMTHMMKCEJM-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132684 399768023 /nfs/dbraw/zinc/76/80/23/399768023.db2.gz TXSKMTHMMKCEJM-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO CC(C)(CNc1cc(C#N)c(Br)cn1)n1cc[nH+]c1 ZINC000603410243 399769404 /nfs/dbraw/zinc/76/94/04/399769404.db2.gz UKCBWQYHBWQIJS-UHFFFAOYSA-N 1 2 320.194 2.759 20 30 DFEDLO C[C@H](Nc1cc(C#N)c(Br)cn1)c1[nH+]ccn1C ZINC000603408921 399769509 /nfs/dbraw/zinc/76/95/09/399769509.db2.gz GYWSDLCWFDWUGP-QMMMGPOBSA-N 1 2 306.167 2.622 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(Cl)s3)CC2)cc1 ZINC000613176499 399812111 /nfs/dbraw/zinc/81/21/11/399812111.db2.gz XNRJWORLNCLTGB-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682360713 545828484 /nfs/dbraw/zinc/82/84/84/545828484.db2.gz OXTUNYFCZNPBMZ-WMLDXEAASA-N 1 2 305.422 2.618 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682360713 545828490 /nfs/dbraw/zinc/82/84/90/545828490.db2.gz OXTUNYFCZNPBMZ-WMLDXEAASA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCOCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626404057 399845535 /nfs/dbraw/zinc/84/55/35/399845535.db2.gz PLKIAZDRIZLZIH-MRXNPFEDSA-N 1 2 322.836 2.623 20 30 DFEDLO C=CCOCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626404057 399845540 /nfs/dbraw/zinc/84/55/40/399845540.db2.gz PLKIAZDRIZLZIH-MRXNPFEDSA-N 1 2 322.836 2.623 20 30 DFEDLO CSc1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000330782825 543112056 /nfs/dbraw/zinc/11/20/56/543112056.db2.gz PVZIHAAGXWSQNV-UHFFFAOYSA-N 1 2 303.431 2.973 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H](C2CC2)C1 ZINC000329340169 543103044 /nfs/dbraw/zinc/10/30/44/543103044.db2.gz RKWCRTQONBBYRP-AWEZNQCLSA-N 1 2 302.422 2.755 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000604552249 399854662 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C=C[C@@](C)(CC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303974 400012613 /nfs/dbraw/zinc/01/26/13/400012613.db2.gz PAFWIQRFSPDLHM-KRWDZBQOSA-N 1 2 319.474 2.853 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304552 400012972 /nfs/dbraw/zinc/01/29/72/400012972.db2.gz LEBQUTRWQKKIID-UHFFFAOYSA-N 1 2 319.474 2.853 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C\c3cccc(C#N)c3)n2)C1 ZINC000354834087 147169516 /nfs/dbraw/zinc/16/95/16/147169516.db2.gz ZAQDIEOABAUPPB-WLMCBFPDSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C\c3cccc(C#N)c3)n2)C1 ZINC000354834087 147169520 /nfs/dbraw/zinc/16/95/20/147169520.db2.gz ZAQDIEOABAUPPB-WLMCBFPDSA-N 1 2 324.384 2.893 20 30 DFEDLO N#Cc1ccc(SCC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000355289526 147253997 /nfs/dbraw/zinc/25/39/97/147253997.db2.gz LIHLSBNYTHIGIA-UHFFFAOYSA-N 1 2 308.366 2.937 20 30 DFEDLO CC(C)CCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000576747898 543454170 /nfs/dbraw/zinc/45/41/70/543454170.db2.gz 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C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000533540421 270002859 /nfs/dbraw/zinc/00/28/59/270002859.db2.gz LWMGZZVPTPNEON-SUNKGSAMSA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000533540421 270002860 /nfs/dbraw/zinc/00/28/60/270002860.db2.gz LWMGZZVPTPNEON-SUNKGSAMSA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000533467091 270002913 /nfs/dbraw/zinc/00/29/13/270002913.db2.gz VWYNFFOPGAJKCY-CZUORRHYSA-N 1 2 323.400 2.693 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000156640133 425936199 /nfs/dbraw/zinc/93/61/99/425936199.db2.gz LCVKENYTANNGQX-MRXNPFEDSA-N 1 2 322.412 2.849 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000156640133 425936202 /nfs/dbraw/zinc/93/62/02/425936202.db2.gz LCVKENYTANNGQX-MRXNPFEDSA-N 1 2 322.412 2.849 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cscc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000342873797 267022404 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C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347795095 267208281 /nfs/dbraw/zinc/20/82/81/267208281.db2.gz ZRSNAVWKIBZQRM-GFCCVEGCSA-N 1 2 308.341 2.981 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347795095 267208283 /nfs/dbraw/zinc/20/82/83/267208283.db2.gz ZRSNAVWKIBZQRM-GFCCVEGCSA-N 1 2 308.341 2.981 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000346980296 267213243 /nfs/dbraw/zinc/21/32/43/267213243.db2.gz VGHDEBPPNIJEED-NHYWBVRUSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000346980296 267213245 /nfs/dbraw/zinc/21/32/45/267213245.db2.gz VGHDEBPPNIJEED-NHYWBVRUSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287215 267249052 /nfs/dbraw/zinc/24/90/52/267249052.db2.gz UAVZFPPMTCUONI-GWCFXTLKSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287215 267249055 /nfs/dbraw/zinc/24/90/55/267249055.db2.gz UAVZFPPMTCUONI-GWCFXTLKSA-N 1 2 311.307 2.769 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492448528 267255491 /nfs/dbraw/zinc/25/54/91/267255491.db2.gz MULBUCZBASNCCS-VOTSOKGWSA-N 1 2 312.398 2.977 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000456387934 267256487 /nfs/dbraw/zinc/25/64/87/267256487.db2.gz NNWACOIXEDZBHM-GFCCVEGCSA-N 1 2 314.414 2.744 20 30 DFEDLO CCn1nc(C)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1C ZINC000459621716 267261141 /nfs/dbraw/zinc/26/11/41/267261141.db2.gz XCGDCXIAOQTWJP-UHFFFAOYSA-N 1 2 310.401 2.655 20 30 DFEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000428466206 267319003 /nfs/dbraw/zinc/31/90/03/267319003.db2.gz YMZNUUQRUWLCSD-AWEZNQCLSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000428466206 267319005 /nfs/dbraw/zinc/31/90/05/267319005.db2.gz YMZNUUQRUWLCSD-AWEZNQCLSA-N 1 2 312.344 2.969 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493394542 267322152 /nfs/dbraw/zinc/32/21/52/267322152.db2.gz SHGNKQCSBGPDKY-KTKRTIGZSA-N 1 2 320.396 2.763 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cnccc1C#N ZINC000489654974 267324455 /nfs/dbraw/zinc/32/44/55/267324455.db2.gz MKXDNCPFVBTFFL-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454338705 267325028 /nfs/dbraw/zinc/32/50/28/267325028.db2.gz KPTVKRWGCVMARZ-UHFFFAOYSA-N 1 2 310.401 2.519 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419651084 267325105 /nfs/dbraw/zinc/32/51/05/267325105.db2.gz UMBDOXQXGIYGEX-INIZCTEOSA-N 1 2 323.400 2.511 20 30 DFEDLO COC(=O)c1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459605190 267407282 /nfs/dbraw/zinc/40/72/82/267407282.db2.gz CTIZXIYKIUUXMF-UHFFFAOYSA-N 1 2 322.364 2.608 20 30 DFEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000005295465 425622982 /nfs/dbraw/zinc/62/29/82/425622982.db2.gz NWUTUMWXCWKRGD-UHFFFAOYSA-N 1 2 321.739 2.755 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000045343842 425861014 /nfs/dbraw/zinc/86/10/14/425861014.db2.gz GUHKIFQBDDVILN-CQSZACIVSA-N 1 2 302.809 2.906 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000455949534 267962982 /nfs/dbraw/zinc/96/29/82/267962982.db2.gz DUPKOFZIVQNRGO-CQSZACIVSA-N 1 2 309.373 2.622 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032690552 425839386 /nfs/dbraw/zinc/83/93/86/425839386.db2.gz CYJNWDFAGJVMHE-UHFFFAOYSA-N 1 2 311.385 2.642 20 30 DFEDLO Cc1ccc(C2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000450438737 268034215 /nfs/dbraw/zinc/03/42/15/268034215.db2.gz MQOFOVDKPQHKFG-UHFFFAOYSA-N 1 2 323.356 2.949 20 30 DFEDLO Cc1ccc2[nH+]c(CN3CC(Oc4ccc(C#N)cc4)C3)cn2c1 ZINC000459604625 268047540 /nfs/dbraw/zinc/04/75/40/268047540.db2.gz BVSLUIPIWUFSLG-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO N#Cc1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000345020576 268060096 /nfs/dbraw/zinc/06/00/96/268060096.db2.gz ZKEMQBXLRFWNGH-UHFFFAOYSA-N 1 2 322.412 2.894 20 30 DFEDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427393 268066763 /nfs/dbraw/zinc/06/67/63/268066763.db2.gz NLUGVHRWOQIMFH-ZDUSSCGKSA-N 1 2 317.370 2.660 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C\c1cccc(C#N)c1)CCC2 ZINC000492191969 268069637 /nfs/dbraw/zinc/06/96/37/268069637.db2.gz WNLQHYBGASNTLY-QWPQOLDESA-N 1 2 320.396 2.770 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530670930 268080392 /nfs/dbraw/zinc/08/03/92/268080392.db2.gz YGNFICMBBNOEQK-UHFFFAOYSA-N 1 2 318.380 2.575 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000428218095 268163463 /nfs/dbraw/zinc/16/34/63/268163463.db2.gz LOGAYBOGJUVHEZ-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000428218095 268163465 /nfs/dbraw/zinc/16/34/65/268163465.db2.gz LOGAYBOGJUVHEZ-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000428938197 268164687 /nfs/dbraw/zinc/16/46/87/268164687.db2.gz AEOMDCNWEMLVQV-YPMHNXCESA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000428938197 268164689 /nfs/dbraw/zinc/16/46/89/268164689.db2.gz AEOMDCNWEMLVQV-YPMHNXCESA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccon3)CC2)c(Cl)c1 ZINC000439426546 268220443 /nfs/dbraw/zinc/22/04/43/268220443.db2.gz WIFGPWYHZRHQLS-UHFFFAOYSA-N 1 2 316.792 2.517 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1F ZINC000341116120 268247177 /nfs/dbraw/zinc/24/71/77/268247177.db2.gz DTHNYEIKVRDZCQ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411831816 268290289 /nfs/dbraw/zinc/29/02/89/268290289.db2.gz CFSHDOYCAWDLSU-UHFFFAOYSA-N 1 2 323.356 2.636 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000459523449 268290667 /nfs/dbraw/zinc/29/06/67/268290667.db2.gz VVMKMHCMBGKOLO-OAHLLOKOSA-N 1 2 303.387 2.794 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000459523449 268290670 /nfs/dbraw/zinc/29/06/70/268290670.db2.gz VVMKMHCMBGKOLO-OAHLLOKOSA-N 1 2 303.387 2.794 20 30 DFEDLO N#Cc1cnc(N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000339235508 268311320 /nfs/dbraw/zinc/31/13/20/268311320.db2.gz JAUREMAVUGFCMH-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO Cc1noc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000103141214 425938249 /nfs/dbraw/zinc/93/82/49/425938249.db2.gz ZDMLECIHHHBNDR-UHFFFAOYSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124797727 425938564 /nfs/dbraw/zinc/93/85/64/425938564.db2.gz RWEXYOCWMGAWFC-YJBOKZPZSA-N 1 2 315.417 2.924 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124797727 425938566 /nfs/dbraw/zinc/93/85/66/425938566.db2.gz RWEXYOCWMGAWFC-YJBOKZPZSA-N 1 2 315.417 2.924 20 30 DFEDLO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000125657888 425984795 /nfs/dbraw/zinc/98/47/95/425984795.db2.gz NRWHXYRVOXEYOZ-UHFFFAOYSA-N 1 2 314.414 2.864 20 30 DFEDLO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000125657888 425984798 /nfs/dbraw/zinc/98/47/98/425984798.db2.gz NRWHXYRVOXEYOZ-UHFFFAOYSA-N 1 2 314.414 2.864 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124845125 425940807 /nfs/dbraw/zinc/94/08/07/425940807.db2.gz AWWJTDUAFPQHQY-KRWDZBQOSA-N 1 2 320.458 2.750 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124845125 425940810 /nfs/dbraw/zinc/94/08/10/425940810.db2.gz AWWJTDUAFPQHQY-KRWDZBQOSA-N 1 2 320.458 2.750 20 30 DFEDLO Cc1ccc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000159136448 425954845 /nfs/dbraw/zinc/95/48/45/425954845.db2.gz XLVPSRBUSHKYAX-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000159136448 425954846 /nfs/dbraw/zinc/95/48/46/425954846.db2.gz XLVPSRBUSHKYAX-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000072692661 426019042 /nfs/dbraw/zinc/01/90/42/426019042.db2.gz CDBYGAJZUSUUCI-ZDUSSCGKSA-N 1 2 319.371 2.801 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000072692661 426019045 /nfs/dbraw/zinc/01/90/45/426019045.db2.gz CDBYGAJZUSUUCI-ZDUSSCGKSA-N 1 2 319.371 2.801 20 30 DFEDLO Cc1ccccc1CCNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072692439 426020039 /nfs/dbraw/zinc/02/00/39/426020039.db2.gz ZBSSPZVOGHPALC-UHFFFAOYSA-N 1 2 315.461 2.916 20 30 DFEDLO Cc1ccccc1CCNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072692439 426020043 /nfs/dbraw/zinc/02/00/43/426020043.db2.gz ZBSSPZVOGHPALC-UHFFFAOYSA-N 1 2 315.461 2.916 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127578810 426073797 /nfs/dbraw/zinc/07/37/97/426073797.db2.gz ZWQDNFPJEMICFT-SFHVURJKSA-N 1 2 307.397 2.948 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127578810 426073800 /nfs/dbraw/zinc/07/38/00/426073800.db2.gz ZWQDNFPJEMICFT-SFHVURJKSA-N 1 2 307.397 2.948 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(F)c1 ZINC000127644187 426078032 /nfs/dbraw/zinc/07/80/32/426078032.db2.gz DAJZCIQNMBXHBK-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(F)c1 ZINC000127644187 426078033 /nfs/dbraw/zinc/07/80/33/426078033.db2.gz DAJZCIQNMBXHBK-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000075640134 426079460 /nfs/dbraw/zinc/07/94/60/426079460.db2.gz VOISHPSJGIEEQR-HOTGVXAUSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000075640134 426079463 /nfs/dbraw/zinc/07/94/63/426079463.db2.gz VOISHPSJGIEEQR-HOTGVXAUSA-N 1 2 324.384 2.752 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(C)onc2CC)c1 ZINC000162961069 426084545 /nfs/dbraw/zinc/08/45/45/426084545.db2.gz LMGCOVBUDAAVLJ-UHFFFAOYSA-N 1 2 311.385 2.597 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c(C)onc2CC)c1 ZINC000162961069 426084548 /nfs/dbraw/zinc/08/45/48/426084548.db2.gz LMGCOVBUDAAVLJ-UHFFFAOYSA-N 1 2 311.385 2.597 20 30 DFEDLO N#CC[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000130163633 426148609 /nfs/dbraw/zinc/14/86/09/426148609.db2.gz GRLMGQQRVXKOPT-HNNXBMFYSA-N 1 2 313.401 2.676 20 30 DFEDLO N#CC[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000130163633 426148612 /nfs/dbraw/zinc/14/86/12/426148612.db2.gz GRLMGQQRVXKOPT-HNNXBMFYSA-N 1 2 313.401 2.676 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1F ZINC000079889041 426205333 /nfs/dbraw/zinc/20/53/33/426205333.db2.gz YJXHKBLJHGFHOC-UHFFFAOYSA-N 1 2 303.381 2.576 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1F ZINC000079889041 426205335 /nfs/dbraw/zinc/20/53/35/426205335.db2.gz YJXHKBLJHGFHOC-UHFFFAOYSA-N 1 2 303.381 2.576 20 30 DFEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000171696837 426205537 /nfs/dbraw/zinc/20/55/37/426205537.db2.gz RDHQICRSHBMQBB-UHFFFAOYSA-N 1 2 310.422 2.790 20 30 DFEDLO Cc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1Oc1cc[nH+]cc1 ZINC000115372925 426162928 /nfs/dbraw/zinc/16/29/28/426162928.db2.gz KPZOKHJAUQHQPV-INIZCTEOSA-N 1 2 323.352 2.547 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000115538466 426166690 /nfs/dbraw/zinc/16/66/90/426166690.db2.gz CJMQAEADDYYBRB-MRXNPFEDSA-N 1 2 301.365 2.557 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132928593 426171043 /nfs/dbraw/zinc/17/10/43/426171043.db2.gz STXWRHDMEPNMAO-WBMJQRKESA-N 1 2 305.447 2.549 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132928593 426171046 /nfs/dbraw/zinc/17/10/46/426171046.db2.gz STXWRHDMEPNMAO-WBMJQRKESA-N 1 2 305.447 2.549 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000079901192 426206078 /nfs/dbraw/zinc/20/60/78/426206078.db2.gz RTWNRSSOZZPWHI-UHFFFAOYSA-N 1 2 323.824 2.543 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000079901192 426206082 /nfs/dbraw/zinc/20/60/82/426206082.db2.gz RTWNRSSOZZPWHI-UHFFFAOYSA-N 1 2 323.824 2.543 20 30 DFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)nc1 ZINC000080912885 426217274 /nfs/dbraw/zinc/21/72/74/426217274.db2.gz VSNDGQIZGUPIPW-UHFFFAOYSA-N 1 2 320.824 2.509 20 30 DFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)nc1 ZINC000080912885 426217275 /nfs/dbraw/zinc/21/72/75/426217275.db2.gz VSNDGQIZGUPIPW-UHFFFAOYSA-N 1 2 320.824 2.509 20 30 DFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000151508622 426299826 /nfs/dbraw/zinc/29/98/26/426299826.db2.gz BQEIQVBCKPCPQY-OAHLLOKOSA-N 1 2 323.400 2.778 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121255188 426328461 /nfs/dbraw/zinc/32/84/61/426328461.db2.gz IHENTQFHAHLHHI-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121255188 426328464 /nfs/dbraw/zinc/32/84/64/426328464.db2.gz IHENTQFHAHLHHI-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000121304463 426332411 /nfs/dbraw/zinc/33/24/11/426332411.db2.gz ICISECIDQNRFKT-CYBMUJFWSA-N 1 2 303.431 2.995 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000121304463 426332415 /nfs/dbraw/zinc/33/24/15/426332415.db2.gz ICISECIDQNRFKT-CYBMUJFWSA-N 1 2 303.431 2.995 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121369805 426338018 /nfs/dbraw/zinc/33/80/18/426338018.db2.gz LOWVEMQAQFYRQZ-GOSISDBHSA-N 1 2 324.380 2.940 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000175108745 426279717 /nfs/dbraw/zinc/27/97/17/426279717.db2.gz NIXJPIPEPCEUAX-AWEZNQCLSA-N 1 2 308.447 2.594 20 30 DFEDLO N#Cc1c(C[N@H+]2CCCN(CC(F)F)CC2)cn2ccccc12 ZINC000091083473 426339172 /nfs/dbraw/zinc/33/91/72/426339172.db2.gz JOSYNWXOIJZBSF-UHFFFAOYSA-N 1 2 318.371 2.584 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCCN(CC(F)F)CC2)cn2ccccc12 ZINC000091083473 426339173 /nfs/dbraw/zinc/33/91/73/426339173.db2.gz JOSYNWXOIJZBSF-UHFFFAOYSA-N 1 2 318.371 2.584 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176607214 426398029 /nfs/dbraw/zinc/39/80/29/426398029.db2.gz TXYMWGUTAPHPTF-CABCVRRESA-N 1 2 322.474 2.982 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176607214 426398031 /nfs/dbraw/zinc/39/80/31/426398031.db2.gz TXYMWGUTAPHPTF-CABCVRRESA-N 1 2 322.474 2.982 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1F ZINC000122930984 426404145 /nfs/dbraw/zinc/40/41/45/426404145.db2.gz XPJFCTVERGPQDH-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C=CC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000121507828 426347763 /nfs/dbraw/zinc/34/77/63/426347763.db2.gz CKEOYDFTQOEXKX-UHFFFAOYSA-N 1 2 301.371 2.862 20 30 DFEDLO C=CC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000121507828 426347764 /nfs/dbraw/zinc/34/77/64/426347764.db2.gz CKEOYDFTQOEXKX-UHFFFAOYSA-N 1 2 301.371 2.862 20 30 DFEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176074029 426349788 /nfs/dbraw/zinc/34/97/88/426349788.db2.gz WHEODTLNODFXID-GFCCVEGCSA-N 1 2 305.341 2.563 20 30 DFEDLO C=CCc1cc(C[N@@H+](CC)CC(=O)OCC)cc(OC)c1O ZINC000092399519 426349803 /nfs/dbraw/zinc/34/98/03/426349803.db2.gz FHRFQGWMDVEJJG-UHFFFAOYSA-N 1 2 307.390 2.514 20 30 DFEDLO C=CCc1cc(C[N@H+](CC)CC(=O)OCC)cc(OC)c1O ZINC000092399519 426349805 /nfs/dbraw/zinc/34/98/05/426349805.db2.gz FHRFQGWMDVEJJG-UHFFFAOYSA-N 1 2 307.390 2.514 20 30 DFEDLO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646235 426350990 /nfs/dbraw/zinc/35/09/90/426350990.db2.gz PHSULMSQUQOBFX-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO C=CC[N@H+](Cc1cnn(CC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646235 426350993 /nfs/dbraw/zinc/35/09/93/426350993.db2.gz PHSULMSQUQOBFX-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO C=CCn1c(=O)c2ccccc2nc1SCCn1cc[nH+]c1 ZINC000121836103 426353791 /nfs/dbraw/zinc/35/37/91/426353791.db2.gz MPGUABYSYVFOJH-UHFFFAOYSA-N 1 2 312.398 2.571 20 30 DFEDLO C#CC[N@@H+](Cc1csc(N(CC)C(C)=O)n1)C1CCCC1 ZINC000176380295 426376216 /nfs/dbraw/zinc/37/62/16/426376216.db2.gz IFTIKTPKPKJQMV-UHFFFAOYSA-N 1 2 305.447 2.894 20 30 DFEDLO C#CC[N@H+](Cc1csc(N(CC)C(C)=O)n1)C1CCCC1 ZINC000176380295 426376218 /nfs/dbraw/zinc/37/62/18/426376218.db2.gz IFTIKTPKPKJQMV-UHFFFAOYSA-N 1 2 305.447 2.894 20 30 DFEDLO Cc1cccn2cc(C[S@](=O)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000176541256 426392524 /nfs/dbraw/zinc/39/25/24/426392524.db2.gz VNLBAJODKYPZFG-JOCHJYFZSA-N 1 2 309.394 2.963 20 30 DFEDLO Cn1cc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000176988194 426430504 /nfs/dbraw/zinc/43/05/04/426430504.db2.gz VJPVSUSYVOBYEM-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000176988194 426430507 /nfs/dbraw/zinc/43/05/07/426430507.db2.gz VJPVSUSYVOBYEM-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000155232947 426466552 /nfs/dbraw/zinc/46/65/52/426466552.db2.gz SUDXZEILKCQKTK-OLZOCXBDSA-N 1 2 319.405 2.512 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000155232947 426466555 /nfs/dbraw/zinc/46/65/55/426466555.db2.gz SUDXZEILKCQKTK-OLZOCXBDSA-N 1 2 319.405 2.512 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000177322140 426467740 /nfs/dbraw/zinc/46/77/40/426467740.db2.gz VIEIBPQQFXPMRX-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000177322140 426467741 /nfs/dbraw/zinc/46/77/41/426467741.db2.gz VIEIBPQQFXPMRX-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO C=CCN(Cc1[nH+]ccn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000195515348 426533448 /nfs/dbraw/zinc/53/34/48/426533448.db2.gz UCXAOOKQFCNUOQ-UHFFFAOYSA-N 1 2 300.362 2.999 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186164509 426489962 /nfs/dbraw/zinc/48/99/62/426489962.db2.gz VQVDYSUETQGRED-IBGZPJMESA-N 1 2 320.392 2.967 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1C ZINC000186164509 426489963 /nfs/dbraw/zinc/48/99/63/426489963.db2.gz VQVDYSUETQGRED-IBGZPJMESA-N 1 2 320.392 2.967 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177625880 426499660 /nfs/dbraw/zinc/49/96/60/426499660.db2.gz YJVBLHSDWNEAGQ-CYBMUJFWSA-N 1 2 309.841 2.980 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177625880 426499662 /nfs/dbraw/zinc/49/96/62/426499662.db2.gz YJVBLHSDWNEAGQ-CYBMUJFWSA-N 1 2 309.841 2.980 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000264502840 426565043 /nfs/dbraw/zinc/56/50/43/426565043.db2.gz VWTGEGYGMWAANY-CYBMUJFWSA-N 1 2 304.390 2.641 20 30 DFEDLO C[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289139855 426590855 /nfs/dbraw/zinc/59/08/55/426590855.db2.gz PHDZVELZQSJCSO-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO C[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289139855 426590861 /nfs/dbraw/zinc/59/08/61/426590861.db2.gz PHDZVELZQSJCSO-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000178344073 426609862 /nfs/dbraw/zinc/60/98/62/426609862.db2.gz QDCUQCMNYQCBIB-INIZCTEOSA-N 1 2 316.401 2.743 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000178344073 426609864 /nfs/dbraw/zinc/60/98/64/426609864.db2.gz QDCUQCMNYQCBIB-INIZCTEOSA-N 1 2 316.401 2.743 20 30 DFEDLO C[NH+](C)[C@H](CNc1ncccc1C#N)c1c(F)cccc1F ZINC000265285303 426612646 /nfs/dbraw/zinc/61/26/46/426612646.db2.gz WYWIYRVMARVASN-CQSZACIVSA-N 1 2 302.328 2.946 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000264506916 426564793 /nfs/dbraw/zinc/56/47/93/426564793.db2.gz WUIJXOPWOZEJIV-UHFFFAOYSA-N 1 2 314.433 2.662 20 30 DFEDLO C=CC[N@H+](Cc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000178532003 426650695 /nfs/dbraw/zinc/65/06/95/426650695.db2.gz ZUKYRHXNKGCYFG-AWEZNQCLSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000178532003 426650700 /nfs/dbraw/zinc/65/07/00/426650700.db2.gz ZUKYRHXNKGCYFG-AWEZNQCLSA-N 1 2 305.399 2.608 20 30 DFEDLO Cc1nc(N2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000273461079 426667479 /nfs/dbraw/zinc/66/74/79/426667479.db2.gz GLSSZQHZVTXKEZ-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000265665083 426673007 /nfs/dbraw/zinc/67/30/07/426673007.db2.gz UOXCWILVNRFAAO-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000265665083 426673010 /nfs/dbraw/zinc/67/30/10/426673010.db2.gz UOXCWILVNRFAAO-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccon1 ZINC000265734646 426679929 /nfs/dbraw/zinc/67/99/29/426679929.db2.gz AOEHVLCEWZOZMP-UHFFFAOYSA-N 1 2 318.764 2.660 20 30 DFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccon1 ZINC000265734646 426679934 /nfs/dbraw/zinc/67/99/34/426679934.db2.gz AOEHVLCEWZOZMP-UHFFFAOYSA-N 1 2 318.764 2.660 20 30 DFEDLO C=CCCO[C@H](C)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000273698802 426709848 /nfs/dbraw/zinc/70/98/48/426709848.db2.gz JOTZYPJBAXWCQF-GFCCVEGCSA-N 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/nfs/dbraw/zinc/69/68/25/426696825.db2.gz IHQGGJYXTIVBMF-UHFFFAOYSA-N 1 2 314.389 2.771 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000245922668 426782364 /nfs/dbraw/zinc/78/23/64/426782364.db2.gz GXXPIXOGBMTILA-IAGOWNOFSA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000245922668 426782371 /nfs/dbraw/zinc/78/23/71/426782371.db2.gz GXXPIXOGBMTILA-IAGOWNOFSA-N 1 2 305.805 2.571 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281886911 426786595 /nfs/dbraw/zinc/78/65/95/426786595.db2.gz PSWGTDZARGYWQZ-CHWSQXEVSA-N 1 2 300.171 2.842 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281886911 426786599 /nfs/dbraw/zinc/78/65/99/426786599.db2.gz PSWGTDZARGYWQZ-CHWSQXEVSA-N 1 2 300.171 2.842 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C1CC1 ZINC000274250112 426728875 /nfs/dbraw/zinc/72/88/75/426728875.db2.gz ZODKGMWTLHTPJK-UHFFFAOYSA-N 1 2 311.385 2.671 20 30 DFEDLO C#CC[N@H+](CC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C1CC1 ZINC000274250112 426728881 /nfs/dbraw/zinc/72/88/81/426728881.db2.gz ZODKGMWTLHTPJK-UHFFFAOYSA-N 1 2 311.385 2.671 20 30 DFEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000274302377 426738982 /nfs/dbraw/zinc/73/89/82/426738982.db2.gz UAJNSMCROFUEIE-QGZVFWFLSA-N 1 2 313.376 2.958 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000246173935 426807248 /nfs/dbraw/zinc/80/72/48/426807248.db2.gz JJAIRFIJSXIOQP-MRXNPFEDSA-N 1 2 318.465 2.868 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000246173935 426807252 /nfs/dbraw/zinc/80/72/52/426807252.db2.gz JJAIRFIJSXIOQP-MRXNPFEDSA-N 1 2 318.465 2.868 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052330 426820882 /nfs/dbraw/zinc/82/08/82/426820882.db2.gz RQBKLLQQUQUHQM-IRXDYDNUSA-N 1 2 314.429 2.625 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052330 426820888 /nfs/dbraw/zinc/82/08/88/426820888.db2.gz RQBKLLQQUQUHQM-IRXDYDNUSA-N 1 2 314.429 2.625 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000267143814 426830735 /nfs/dbraw/zinc/83/07/35/426830735.db2.gz LDTLXCTZYAFDNC-UHFFFAOYSA-N 1 2 324.380 2.853 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)o1 ZINC000180114259 426836728 /nfs/dbraw/zinc/83/67/28/426836728.db2.gz ADKUQCGCRRNBIN-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)o1 ZINC000180114259 426836733 /nfs/dbraw/zinc/83/67/33/426836733.db2.gz ADKUQCGCRRNBIN-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO Cc1cccn2cc(CNC(=O)c3cccc(F)c3C#N)[nH+]c12 ZINC000189343885 426843127 /nfs/dbraw/zinc/84/31/27/426843127.db2.gz AUQUPBIXLRVVOI-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO C#CCN(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267245612 426853455 /nfs/dbraw/zinc/85/34/55/426853455.db2.gz FYJCDTJQXNFKPJ-HNNXBMFYSA-N 1 2 315.417 2.567 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000275648080 426887082 /nfs/dbraw/zinc/88/70/82/426887082.db2.gz CFPVICUMWZYOJP-SFHVURJKSA-N 1 2 319.449 2.657 20 30 DFEDLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247685206 426957559 /nfs/dbraw/zinc/95/75/59/426957559.db2.gz SBUCOQZPGXEZOG-ZBFHGGJFSA-N 1 2 315.417 2.632 20 30 DFEDLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247685206 426957565 /nfs/dbraw/zinc/95/75/65/426957565.db2.gz SBUCOQZPGXEZOG-ZBFHGGJFSA-N 1 2 315.417 2.632 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)[C@@H](C)CC ZINC000181629424 426970310 /nfs/dbraw/zinc/97/03/10/426970310.db2.gz UALUKGXBTDUOSF-BBRMVZONSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000268277098 426974818 /nfs/dbraw/zinc/97/48/18/426974818.db2.gz QIJCUCPNDIFVHE-DYVFJYSZSA-N 1 2 307.401 2.726 20 30 DFEDLO C[C@@H](NC(=O)C1CCC(=O)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000328618794 426981527 /nfs/dbraw/zinc/98/15/27/426981527.db2.gz VJJKAGFWJBRPCC-CQSZACIVSA-N 1 2 322.449 2.736 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1ccccn1)CCC2 ZINC000328655197 426982920 /nfs/dbraw/zinc/98/29/20/426982920.db2.gz MPHMGNXXGHUUIH-CQSZACIVSA-N 1 2 313.405 2.510 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000268332166 426987043 /nfs/dbraw/zinc/98/70/43/426987043.db2.gz XMMDYXHTURIUEB-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000268332166 426987054 /nfs/dbraw/zinc/98/70/54/426987054.db2.gz XMMDYXHTURIUEB-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 ZINC000328697182 426987300 /nfs/dbraw/zinc/98/73/00/426987300.db2.gz UOLUYWKIYPAKLQ-RYUDHWBXSA-N 1 2 318.421 2.818 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1cccnc1)CCC2 ZINC000328693572 426987629 /nfs/dbraw/zinc/98/76/29/426987629.db2.gz FRCYFFHTPKSRQT-OAHLLOKOSA-N 1 2 313.405 2.510 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268337791 426989611 /nfs/dbraw/zinc/98/96/11/426989611.db2.gz ZHFQZEWJQZSDQB-INIZCTEOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268337791 426989618 /nfs/dbraw/zinc/98/96/18/426989618.db2.gz ZHFQZEWJQZSDQB-INIZCTEOSA-N 1 2 317.408 2.824 20 30 DFEDLO O=C(N[C@H](CO)CC1CCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000328706762 426992173 /nfs/dbraw/zinc/99/21/73/426992173.db2.gz ZFLGGLQGTSUCBM-DOTOQJQBSA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(N[C@H](CO)CC1CCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000328706762 426992177 /nfs/dbraw/zinc/99/21/77/426992177.db2.gz ZFLGGLQGTSUCBM-DOTOQJQBSA-N 1 2 324.465 2.528 20 30 DFEDLO CCc1nnc(NCCc2cn3ccccc3[nH+]2)c(C#N)c1CC ZINC000268161493 426932969 /nfs/dbraw/zinc/93/29/69/426932969.db2.gz ICMZGTLPDAOKDB-UHFFFAOYSA-N 1 2 320.400 2.775 20 30 DFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000328815638 427002672 /nfs/dbraw/zinc/00/26/72/427002672.db2.gz OGSIRSQEWALYAS-NSHDSACASA-N 1 2 320.418 2.616 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)OC[C@H]1CCCO1)CCC2 ZINC000328837531 427005561 /nfs/dbraw/zinc/00/55/61/427005561.db2.gz SYYIGFKRQIMWEK-SOUVJXGZSA-N 1 2 321.421 2.610 20 30 DFEDLO O=C(CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)NC1CCCC1 ZINC000328866800 427008145 /nfs/dbraw/zinc/00/81/45/427008145.db2.gz NZAHKAGVUKUMIY-UHFFFAOYSA-N 1 2 318.421 2.795 20 30 DFEDLO O=C(CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)NC1CCCC1 ZINC000328866800 427008156 /nfs/dbraw/zinc/00/81/56/427008156.db2.gz NZAHKAGVUKUMIY-UHFFFAOYSA-N 1 2 318.421 2.795 20 30 DFEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328923468 427011478 /nfs/dbraw/zinc/01/14/78/427011478.db2.gz CZMXLVPRYACLNT-LZWOXQAQSA-N 1 2 305.422 2.853 20 30 DFEDLO C[C@@]1(F)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584865 427012325 /nfs/dbraw/zinc/01/23/25/427012325.db2.gz ZTVULOFWNBPEFD-SJLPKXTDSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@@]1(F)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584865 427012333 /nfs/dbraw/zinc/01/23/33/427012333.db2.gz ZTVULOFWNBPEFD-SJLPKXTDSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCC1=O ZINC000328935910 427015346 /nfs/dbraw/zinc/01/53/46/427015346.db2.gz QNXAAPSTKQSDPA-ZJUUUORDSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCC1=O ZINC000328935910 427015352 /nfs/dbraw/zinc/01/53/52/427015352.db2.gz QNXAAPSTKQSDPA-ZJUUUORDSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1=O ZINC000328955791 427016126 /nfs/dbraw/zinc/01/61/26/427016126.db2.gz ZAGNHXYLTPNMKZ-OLZOCXBDSA-N 1 2 303.406 2.724 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248568999 427016914 /nfs/dbraw/zinc/01/69/14/427016914.db2.gz QZZDKRPVGQWARR-LKTVYLICSA-N 1 2 323.799 2.545 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248568999 427016920 /nfs/dbraw/zinc/01/69/20/427016920.db2.gz QZZDKRPVGQWARR-LKTVYLICSA-N 1 2 323.799 2.545 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000329023862 427026679 /nfs/dbraw/zinc/02/66/79/427026679.db2.gz IWTPGRXKKSQXAP-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000329023862 427026684 /nfs/dbraw/zinc/02/66/84/427026684.db2.gz IWTPGRXKKSQXAP-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000329027277 427028235 /nfs/dbraw/zinc/02/82/35/427028235.db2.gz OMYTVEKYWCPNFR-MJBXVCDLSA-N 1 2 317.437 2.880 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000329027277 427028240 /nfs/dbraw/zinc/02/82/40/427028240.db2.gz OMYTVEKYWCPNFR-MJBXVCDLSA-N 1 2 317.437 2.880 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCSC1)C1CCOCC1 ZINC000329087643 427038889 /nfs/dbraw/zinc/03/88/89/427038889.db2.gz VEOBVCIISLBACX-QWHCGFSZSA-N 1 2 309.435 2.597 20 30 DFEDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000329096808 427042784 /nfs/dbraw/zinc/04/27/84/427042784.db2.gz LHEXRIGOWXLPRS-QWRGUYRKSA-N 1 2 315.377 2.638 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC12CCCCC2 ZINC000329118483 427047087 /nfs/dbraw/zinc/04/70/87/427047087.db2.gz ONBSTAVVDLFHMR-CQSZACIVSA-N 1 2 302.422 2.946 20 30 DFEDLO CCn1nc(C)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000329149416 427054080 /nfs/dbraw/zinc/05/40/80/427054080.db2.gz QOIZWLGIAZTLHJ-UHFFFAOYSA-N 1 2 316.409 2.668 20 30 DFEDLO CCn1nc(C)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000329149416 427054086 /nfs/dbraw/zinc/05/40/86/427054086.db2.gz QOIZWLGIAZTLHJ-UHFFFAOYSA-N 1 2 316.409 2.668 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000268632412 427073618 /nfs/dbraw/zinc/07/36/18/427073618.db2.gz XROHBKYHFHOBGK-CYBMUJFWSA-N 1 2 308.426 2.848 20 30 DFEDLO COc1ccnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1OC ZINC000276465392 427075799 /nfs/dbraw/zinc/07/57/99/427075799.db2.gz XMGUMBHAHMODNY-UHFFFAOYSA-N 1 2 309.369 2.749 20 30 DFEDLO C=CCC[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000276470804 427076734 /nfs/dbraw/zinc/07/67/34/427076734.db2.gz RPDRNJQWWJKFCQ-UHFFFAOYSA-N 1 2 311.311 2.689 20 30 DFEDLO C=CCC[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000276470804 427076738 /nfs/dbraw/zinc/07/67/38/427076738.db2.gz RPDRNJQWWJKFCQ-UHFFFAOYSA-N 1 2 311.311 2.689 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268652058 427080113 /nfs/dbraw/zinc/08/01/13/427080113.db2.gz GROWKANIVHJGJK-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268652058 427080118 /nfs/dbraw/zinc/08/01/18/427080118.db2.gz GROWKANIVHJGJK-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCO[C@@H](C(C)C)C3)ccc2[nH+]1 ZINC000329494457 427128879 /nfs/dbraw/zinc/12/88/79/427128879.db2.gz WSXHTUXXWRZGMF-CQSZACIVSA-N 1 2 302.378 2.545 20 30 DFEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000329345352 427094651 /nfs/dbraw/zinc/09/46/51/427094651.db2.gz QXNRHOOIBCNORF-HNNXBMFYSA-N 1 2 323.481 2.714 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000268716738 427099394 /nfs/dbraw/zinc/09/93/94/427099394.db2.gz UZAJLHKDMBHBAO-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000268716738 427099399 /nfs/dbraw/zinc/09/93/99/427099399.db2.gz UZAJLHKDMBHBAO-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000268716740 427100382 /nfs/dbraw/zinc/10/03/82/427100382.db2.gz UZAJLHKDMBHBAO-WOJBJXKFSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000268716740 427100390 /nfs/dbraw/zinc/10/03/90/427100390.db2.gz UZAJLHKDMBHBAO-WOJBJXKFSA-N 1 2 322.408 2.883 20 30 DFEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC000329469045 427123548 /nfs/dbraw/zinc/12/35/48/427123548.db2.gz XTHXEOVREYWPGD-LBPRGKRZSA-N 1 2 315.421 2.808 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000182692985 427127309 /nfs/dbraw/zinc/12/73/09/427127309.db2.gz CSLCQBWFJXPLIZ-INIZCTEOSA-N 1 2 311.389 2.672 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000182692985 427127316 /nfs/dbraw/zinc/12/73/16/427127316.db2.gz CSLCQBWFJXPLIZ-INIZCTEOSA-N 1 2 311.389 2.672 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000081577152 270969322 /nfs/dbraw/zinc/96/93/22/270969322.db2.gz DUAPGKNCIZENML-LBPRGKRZSA-N 1 2 313.430 2.601 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCCc2sccc21 ZINC000329538723 427138247 /nfs/dbraw/zinc/13/82/47/427138247.db2.gz CDHPBMDHODFXSO-ZYHUDNBSSA-N 1 2 316.430 2.910 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCCc2sccc21 ZINC000329538723 427138255 /nfs/dbraw/zinc/13/82/55/427138255.db2.gz CDHPBMDHODFXSO-ZYHUDNBSSA-N 1 2 316.430 2.910 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329543897 427138771 /nfs/dbraw/zinc/13/87/71/427138771.db2.gz ODZRUIWHESOWPR-GDBMZVCRSA-N 1 2 322.449 2.688 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329543897 427138780 /nfs/dbraw/zinc/13/87/80/427138780.db2.gz ODZRUIWHESOWPR-GDBMZVCRSA-N 1 2 322.449 2.688 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329557227 427141339 /nfs/dbraw/zinc/14/13/39/427141339.db2.gz BXRVNPGBBBASTN-LSDHHAIUSA-N 1 2 314.433 2.939 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(C#N)c1C)CCC2 ZINC000338119095 427147349 /nfs/dbraw/zinc/14/73/49/427147349.db2.gz JTWLJJIDRLPNES-HNNXBMFYSA-N 1 2 308.385 2.679 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249908936 427148760 /nfs/dbraw/zinc/14/87/60/427148760.db2.gz VMWLMDPKUXSDQZ-MGPQQGTHSA-N 1 2 305.397 2.873 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249908936 427148768 /nfs/dbraw/zinc/14/87/68/427148768.db2.gz VMWLMDPKUXSDQZ-MGPQQGTHSA-N 1 2 305.397 2.873 20 30 DFEDLO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000292329531 427176046 /nfs/dbraw/zinc/17/60/46/427176046.db2.gz FZILLAMQIZBTIW-LLVKDONJSA-N 1 2 309.460 2.633 20 30 DFEDLO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000292329531 427176054 /nfs/dbraw/zinc/17/60/54/427176054.db2.gz FZILLAMQIZBTIW-LLVKDONJSA-N 1 2 309.460 2.633 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000330102210 427195117 /nfs/dbraw/zinc/19/51/17/427195117.db2.gz FYMBAHSOVWXZAZ-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000330102210 427195124 /nfs/dbraw/zinc/19/51/24/427195124.db2.gz FYMBAHSOVWXZAZ-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO Cc1ccc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)c(C)[nH+]1 ZINC000190951620 427213184 /nfs/dbraw/zinc/21/31/84/427213184.db2.gz ULXMAMXTBXAIFS-UHFFFAOYSA-N 1 2 318.373 2.824 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000277527552 427232778 /nfs/dbraw/zinc/23/27/78/427232778.db2.gz ABGWVRCDONIUJJ-XJKSGUPXSA-N 1 2 317.433 2.933 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191089344 427252152 /nfs/dbraw/zinc/25/21/52/427252152.db2.gz GHVSOQIDLCYLBX-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191089344 427252159 /nfs/dbraw/zinc/25/21/59/427252159.db2.gz GHVSOQIDLCYLBX-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000338339511 427265714 /nfs/dbraw/zinc/26/57/14/427265714.db2.gz XVTOPOCXXUUHCI-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO Cn1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1C#N ZINC000191163016 427275396 /nfs/dbraw/zinc/27/53/96/427275396.db2.gz NVEAFUASOSECFO-UHFFFAOYSA-N 1 2 314.820 2.872 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000330819681 427306864 /nfs/dbraw/zinc/30/68/64/427306864.db2.gz GYKGYAQGKUCHNW-GXFFZTMASA-N 1 2 322.206 2.669 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](CCO)C(C)(C)C)cc2n1C ZINC000331063299 427335666 /nfs/dbraw/zinc/33/56/66/427335666.db2.gz OJBOXNWELIFLOJ-HNNXBMFYSA-N 1 2 303.406 2.983 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C ZINC000331098114 427344631 /nfs/dbraw/zinc/34/46/31/427344631.db2.gz NDXYZKOOZBIIDD-MJBXVCDLSA-N 1 2 322.453 2.576 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)on1 ZINC000277893765 427349736 /nfs/dbraw/zinc/34/97/36/427349736.db2.gz WFKDGBHXYVPQCJ-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331119813 427350014 /nfs/dbraw/zinc/35/00/14/427350014.db2.gz OFJKFPGFYGHBPO-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO Cc1ccncc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331119813 427350019 /nfs/dbraw/zinc/35/00/19/427350019.db2.gz OFJKFPGFYGHBPO-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO CSc1cccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1C ZINC000330709039 427296024 /nfs/dbraw/zinc/29/60/24/427296024.db2.gz RNIGPYRGZJFZPC-GFCCVEGCSA-N 1 2 323.462 2.764 20 30 DFEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000271019737 427376154 /nfs/dbraw/zinc/37/61/54/427376154.db2.gz AGBSQIQFSKBCEQ-YOEHRIQHSA-N 1 2 322.412 2.992 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260242 427385283 /nfs/dbraw/zinc/38/52/83/427385283.db2.gz APSNQTANBXHTLE-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260242 427385285 /nfs/dbraw/zinc/38/52/85/427385285.db2.gz APSNQTANBXHTLE-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)O1 ZINC000331281629 427389334 /nfs/dbraw/zinc/38/93/34/427389334.db2.gz VGEURSHYAOHMIW-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)O1 ZINC000331281629 427389339 /nfs/dbraw/zinc/38/93/39/427389339.db2.gz VGEURSHYAOHMIW-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000331300128 427396016 /nfs/dbraw/zinc/39/60/16/427396016.db2.gz DRGTVBGYTIYFGB-FZMZJTMJSA-N 1 2 319.405 2.683 20 30 DFEDLO CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1[nH+]ccn1C ZINC000270558308 427363563 /nfs/dbraw/zinc/36/35/63/427363563.db2.gz RWIWKMXAWGSLRO-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000183955425 427363724 /nfs/dbraw/zinc/36/37/24/427363724.db2.gz AAVVGDVVKKSLEQ-AWEZNQCLSA-N 1 2 309.369 2.670 20 30 DFEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)s1 ZINC000183958513 427365493 /nfs/dbraw/zinc/36/54/93/427365493.db2.gz TXBJCMWDZMKCFU-UHFFFAOYSA-N 1 2 320.443 2.848 20 30 DFEDLO C#CC[N@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCc2ccccc21 ZINC000184687883 427516498 /nfs/dbraw/zinc/51/64/98/427516498.db2.gz ZHJSIWMVKLRFQX-IBGZPJMESA-N 1 2 317.392 2.609 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000271415867 427529343 /nfs/dbraw/zinc/52/93/43/427529343.db2.gz YLDKUHDNLGGHOE-GFCCVEGCSA-N 1 2 313.430 2.995 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000271415867 427529346 /nfs/dbraw/zinc/52/93/46/427529346.db2.gz YLDKUHDNLGGHOE-GFCCVEGCSA-N 1 2 313.430 2.995 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000263672823 427536412 /nfs/dbraw/zinc/53/64/12/427536412.db2.gz GQGXEGQBCBHVCN-AWEZNQCLSA-N 1 2 310.376 2.976 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)NCc1[nH+]ccn1CC ZINC000298460510 427615589 /nfs/dbraw/zinc/61/55/89/427615589.db2.gz OCTPYPHSCHISSV-UHFFFAOYSA-N 1 2 312.417 2.843 20 30 DFEDLO COCCCn1nccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000338921119 427560291 /nfs/dbraw/zinc/56/02/91/427560291.db2.gz PCIZYRPMUOWEKP-UHFFFAOYSA-N 1 2 316.380 2.562 20 30 DFEDLO COCCCn1nccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000338921119 427560298 /nfs/dbraw/zinc/56/02/98/427560298.db2.gz PCIZYRPMUOWEKP-UHFFFAOYSA-N 1 2 316.380 2.562 20 30 DFEDLO CCc1cc(N)nc(SCCOc2cccc(C#N)c2)[nH+]1 ZINC000279111719 427561720 /nfs/dbraw/zinc/56/17/20/427561720.db2.gz RMZHXACNWSIYGA-UHFFFAOYSA-N 1 2 300.387 2.664 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000338944357 427578731 /nfs/dbraw/zinc/57/87/31/427578731.db2.gz FVXKTWYHJMCTMT-CPUCHLNUSA-N 1 2 317.408 2.969 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000338944357 427578738 /nfs/dbraw/zinc/57/87/38/427578738.db2.gz FVXKTWYHJMCTMT-CPUCHLNUSA-N 1 2 317.408 2.969 20 30 DFEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000264021833 427636081 /nfs/dbraw/zinc/63/60/81/427636081.db2.gz YMWYIUMBHJVXOI-UHFFFAOYSA-N 1 2 302.418 2.696 20 30 DFEDLO C=CC[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279340768 427646245 /nfs/dbraw/zinc/64/62/45/427646245.db2.gz QAWGZCLTPLEINU-WMZOPIPTSA-N 1 2 316.445 2.525 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000339056228 427652006 /nfs/dbraw/zinc/65/20/06/427652006.db2.gz WXOPLPNIDPCJTC-OAHLLOKOSA-N 1 2 311.389 2.539 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000339056228 427652012 /nfs/dbraw/zinc/65/20/12/427652012.db2.gz WXOPLPNIDPCJTC-OAHLLOKOSA-N 1 2 311.389 2.539 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000279480847 427684117 /nfs/dbraw/zinc/68/41/17/427684117.db2.gz GWTJAPDWLSRSIM-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000339122833 427687027 /nfs/dbraw/zinc/68/70/27/427687027.db2.gz IIAUJUOWKQYGTL-HNNXBMFYSA-N 1 2 321.421 2.693 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000339122833 427687032 /nfs/dbraw/zinc/68/70/32/427687032.db2.gz IIAUJUOWKQYGTL-HNNXBMFYSA-N 1 2 321.421 2.693 20 30 DFEDLO COc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1C#N ZINC000295125345 427702326 /nfs/dbraw/zinc/70/23/26/427702326.db2.gz XWRSOOLMPSUTOS-UHFFFAOYSA-N 1 2 322.290 2.665 20 30 DFEDLO N#CCCOCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000339154937 427706125 /nfs/dbraw/zinc/70/61/25/427706125.db2.gz AHXZYVLOMDKKRS-UHFFFAOYSA-N 1 2 301.365 2.985 20 30 DFEDLO N#CCCOCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000339154937 427706132 /nfs/dbraw/zinc/70/61/32/427706132.db2.gz AHXZYVLOMDKKRS-UHFFFAOYSA-N 1 2 301.365 2.985 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1O ZINC000287927407 427717500 /nfs/dbraw/zinc/71/75/00/427717500.db2.gz WNFFKZNQGFFKPM-AWEZNQCLSA-N 1 2 323.234 2.914 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1O ZINC000287927407 427717505 /nfs/dbraw/zinc/71/75/05/427717505.db2.gz WNFFKZNQGFFKPM-AWEZNQCLSA-N 1 2 323.234 2.914 20 30 DFEDLO C=CCSCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299310447 427764799 /nfs/dbraw/zinc/76/47/99/427764799.db2.gz AOFZPBJPRPKFTD-UHFFFAOYSA-N 1 2 301.415 2.580 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000299424047 427765673 /nfs/dbraw/zinc/76/56/73/427765673.db2.gz GPXFIDQFGJNUFO-AWEZNQCLSA-N 1 2 306.406 2.647 20 30 DFEDLO Cc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nn1C ZINC000336870179 427767806 /nfs/dbraw/zinc/76/78/06/427767806.db2.gz HSAMIDURXWTWDC-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000336969188 427781249 /nfs/dbraw/zinc/78/12/49/427781249.db2.gz NKUVOWOYGUAZSE-CZUORRHYSA-N 1 2 324.384 2.701 20 30 DFEDLO Cc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000301233007 427783548 /nfs/dbraw/zinc/78/35/48/427783548.db2.gz GFWNHILADUHOSX-AWEZNQCLSA-N 1 2 311.364 2.877 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336809200 427753328 /nfs/dbraw/zinc/75/33/28/427753328.db2.gz DVECTQLBBQIUMH-CQDKDKBSSA-N 1 2 321.218 2.523 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336809200 427753329 /nfs/dbraw/zinc/75/33/29/427753329.db2.gz DVECTQLBBQIUMH-CQDKDKBSSA-N 1 2 321.218 2.523 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339564941 427793039 /nfs/dbraw/zinc/79/30/39/427793039.db2.gz BEDHUIZOZRDXFK-VWYCJHECSA-N 1 2 303.431 2.776 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339564941 427793042 /nfs/dbraw/zinc/79/30/42/427793042.db2.gz BEDHUIZOZRDXFK-VWYCJHECSA-N 1 2 303.431 2.776 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000337087546 427797394 /nfs/dbraw/zinc/79/73/94/427797394.db2.gz GEBKVDDMMOAFKY-QGZVFWFLSA-N 1 2 302.418 2.603 20 30 DFEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3ccccc32)CC1 ZINC000301501657 427801194 /nfs/dbraw/zinc/80/11/94/427801194.db2.gz FAWYVUCIGBERCW-OAHLLOKOSA-N 1 2 323.444 2.544 20 30 DFEDLO C[C@H]1C[NH+]=C(N2CCN(c3c(Cl)cccc3C#N)CC2)S1 ZINC000301511424 427801231 /nfs/dbraw/zinc/80/12/31/427801231.db2.gz FFILVJGQXZOHDY-NSHDSACASA-N 1 2 320.849 2.825 20 30 DFEDLO COc1ccccc1[C@@H](Nc1cccc(C#N)n1)c1[nH+]ccn1C ZINC000301552847 427805247 /nfs/dbraw/zinc/80/52/47/427805247.db2.gz VVVXQZVLJDMPMO-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO N#Cc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000301634933 427811150 /nfs/dbraw/zinc/81/11/50/427811150.db2.gz KWOZCCNKOHSQHV-GFCCVEGCSA-N 1 2 300.749 2.659 20 30 DFEDLO CCc1nnc(NCc2[nH+]ccn2CC(C)C)c(C#N)c1CC ZINC000301643303 427811721 /nfs/dbraw/zinc/81/17/21/427811721.db2.gz OGWKYVXMCFXBIH-UHFFFAOYSA-N 1 2 312.421 2.938 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000339750002 427821576 /nfs/dbraw/zinc/82/15/76/427821576.db2.gz KUJSTWKEBQPKSR-UHFFFAOYSA-N 1 2 313.228 2.907 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000339750002 427821578 /nfs/dbraw/zinc/82/15/78/427821578.db2.gz KUJSTWKEBQPKSR-UHFFFAOYSA-N 1 2 313.228 2.907 20 30 DFEDLO Cc1cc(NCc2cccc(-c3nc[nH]n3)c2)c(C#N)c(C)[nH+]1 ZINC000301776706 427823501 /nfs/dbraw/zinc/82/35/01/427823501.db2.gz LKIULXGNJSWJMT-UHFFFAOYSA-N 1 2 304.357 2.967 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000339759381 427823836 /nfs/dbraw/zinc/82/38/36/427823836.db2.gz MKSIYWYOUOJARR-AWEZNQCLSA-N 1 2 315.442 2.832 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000339759381 427823839 /nfs/dbraw/zinc/82/38/39/427823839.db2.gz MKSIYWYOUOJARR-AWEZNQCLSA-N 1 2 315.442 2.832 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000339759170 427824356 /nfs/dbraw/zinc/82/43/56/427824356.db2.gz KRWOICKXYSTIDT-CQSZACIVSA-N 1 2 302.443 2.859 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000339759170 427824359 /nfs/dbraw/zinc/82/43/59/427824359.db2.gz KRWOICKXYSTIDT-CQSZACIVSA-N 1 2 302.443 2.859 20 30 DFEDLO Cc1cc(NCC[S@](=O)Cc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301811760 427825844 /nfs/dbraw/zinc/82/58/44/427825844.db2.gz ZRBBLOUQVKXHHX-QFIPXVFZSA-N 1 2 313.426 2.931 20 30 DFEDLO Cc1cc(NCCCNC(=O)c2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301807114 427826059 /nfs/dbraw/zinc/82/60/59/427826059.db2.gz YCUMXBLYHIWZAM-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO CN(C)c1ccc(CN(C)c2ccc(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC000301850501 427830306 /nfs/dbraw/zinc/83/03/06/427830306.db2.gz PBIAAHVXVNTBFH-UHFFFAOYSA-N 1 2 311.345 2.564 20 30 DFEDLO C=CCOCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339842806 427846866 /nfs/dbraw/zinc/84/68/66/427846866.db2.gz UJHVVBNSNOUHLO-UHFFFAOYSA-N 1 2 309.369 2.743 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000346366156 272629350 /nfs/dbraw/zinc/62/93/50/272629350.db2.gz HPIKSTJMJKWMMY-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000346366156 272629352 /nfs/dbraw/zinc/62/93/52/272629352.db2.gz HPIKSTJMJKWMMY-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413180201 427982910 /nfs/dbraw/zinc/98/29/10/427982910.db2.gz PBDALQIUVUDMDW-UHFFFAOYSA-N 1 2 311.345 2.882 20 30 DFEDLO Cc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413180201 427982916 /nfs/dbraw/zinc/98/29/16/427982916.db2.gz PBDALQIUVUDMDW-UHFFFAOYSA-N 1 2 311.345 2.882 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000369529221 427988349 /nfs/dbraw/zinc/98/83/49/427988349.db2.gz WVOJXXJUXLJEMN-SJORKVTESA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000369529221 427988353 /nfs/dbraw/zinc/98/83/53/427988353.db2.gz WVOJXXJUXLJEMN-SJORKVTESA-N 1 2 320.820 2.982 20 30 DFEDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000376740682 427990781 /nfs/dbraw/zinc/99/07/81/427990781.db2.gz XTFTZUHYFAGJBC-INIZCTEOSA-N 1 2 312.373 2.507 20 30 DFEDLO Cc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000341231971 428022346 /nfs/dbraw/zinc/02/23/46/428022346.db2.gz XTPOUXNPZAOYJG-RYUDHWBXSA-N 1 2 320.462 2.833 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244977 428026803 /nfs/dbraw/zinc/02/68/03/428026803.db2.gz YOXAPOXBDZKHLD-INIZCTEOSA-N 1 2 319.449 2.883 20 30 DFEDLO COc1ccc(OCC[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356060690 428004313 /nfs/dbraw/zinc/00/43/13/428004313.db2.gz RRZBXAMIJBBMLP-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO COc1ccc(OCC[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356060690 428004321 /nfs/dbraw/zinc/00/43/21/428004321.db2.gz RRZBXAMIJBBMLP-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000377254623 428092800 /nfs/dbraw/zinc/09/28/00/428092800.db2.gz VZWXJEWDYUWQGB-GOSISDBHSA-N 1 2 322.364 2.860 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000377254623 428092807 /nfs/dbraw/zinc/09/28/07/428092807.db2.gz VZWXJEWDYUWQGB-GOSISDBHSA-N 1 2 322.364 2.860 20 30 DFEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000359971049 428098398 /nfs/dbraw/zinc/09/83/98/428098398.db2.gz OUJLNISYRZTDPQ-QGZVFWFLSA-N 1 2 323.375 2.649 20 30 DFEDLO N#CCc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000356279317 428104302 /nfs/dbraw/zinc/10/43/02/428104302.db2.gz XCNVGKHAKPDKNT-UHFFFAOYSA-N 1 2 307.344 2.668 20 30 DFEDLO N#CC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000360011706 428115373 /nfs/dbraw/zinc/11/53/73/428115373.db2.gz XJUMRKJGKYSAFG-UHFFFAOYSA-N 1 2 308.385 2.963 20 30 DFEDLO Cc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1C#N ZINC000360050207 428134756 /nfs/dbraw/zinc/13/47/56/428134756.db2.gz JVEUMRJKDGNYFZ-CQSZACIVSA-N 1 2 314.776 2.968 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2coc3ccccc23)C(N)=O)cc1 ZINC000360068020 428143545 /nfs/dbraw/zinc/14/35/45/428143545.db2.gz FNPMIQQVHQEQNJ-QGZVFWFLSA-N 1 2 305.337 2.621 20 30 DFEDLO Cc1noc([C@H]([NH2+]Cc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000370163373 428148972 /nfs/dbraw/zinc/14/89/72/428148972.db2.gz PIIOBTJVLLNCJQ-MRXNPFEDSA-N 1 2 312.373 2.507 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000341702798 428160654 /nfs/dbraw/zinc/16/06/54/428160654.db2.gz LDLWLSQIIUAFNO-MRXNPFEDSA-N 1 2 311.385 2.866 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(F)c(C#N)c3)cn21 ZINC000352698933 428207971 /nfs/dbraw/zinc/20/79/71/428207971.db2.gz YRAHXIAYESTIGW-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1c[nH+]cn1C ZINC000356504765 428208634 /nfs/dbraw/zinc/20/86/34/428208634.db2.gz KYVXDOPVMPCCCX-UHFFFAOYSA-N 1 2 310.382 2.745 20 30 DFEDLO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352825521 428266482 /nfs/dbraw/zinc/26/64/82/428266482.db2.gz ULHJLUGLRRZUMI-JTQLQIEISA-N 1 2 303.387 2.883 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000341997760 428272462 /nfs/dbraw/zinc/27/24/62/428272462.db2.gz IGJXPUVKPWCLQE-CQSZACIVSA-N 1 2 316.401 2.761 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370589354 428247206 /nfs/dbraw/zinc/24/72/06/428247206.db2.gz PRIIKGITWJPXHK-QGZVFWFLSA-N 1 2 315.804 2.716 20 30 DFEDLO N#CCCCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000360474775 428312616 /nfs/dbraw/zinc/31/26/16/428312616.db2.gz ROCIMVOGUHRTDZ-UHFFFAOYSA-N 1 2 305.809 2.508 20 30 DFEDLO N#CCCCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000360474775 428312622 /nfs/dbraw/zinc/31/26/22/428312622.db2.gz ROCIMVOGUHRTDZ-UHFFFAOYSA-N 1 2 305.809 2.508 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378260797 428347572 /nfs/dbraw/zinc/34/75/72/428347572.db2.gz IMLCIVVTMZBLNW-AWEZNQCLSA-N 1 2 309.373 2.622 20 30 DFEDLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(C#N)cc1 ZINC000357107991 428392849 /nfs/dbraw/zinc/39/28/49/428392849.db2.gz HGWQLUOXXPGQSH-CYBMUJFWSA-N 1 2 317.352 2.630 20 30 DFEDLO C#CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000371368747 428386823 /nfs/dbraw/zinc/38/68/23/428386823.db2.gz GGFHHTLXXWILSV-UHFFFAOYSA-N 1 2 306.369 2.747 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342633229 428435570 /nfs/dbraw/zinc/43/55/70/428435570.db2.gz FXHMLDOGBNJZHO-OLZOCXBDSA-N 1 2 304.438 2.759 20 30 DFEDLO COc1cc(CNC(=O)Nc2ccc(C)[nH+]c2C)ccc1C#N ZINC000353273953 428462744 /nfs/dbraw/zinc/46/27/44/428462744.db2.gz FHBBAULUURDJRT-UHFFFAOYSA-N 1 2 310.357 2.900 20 30 DFEDLO C=CCCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000342388608 428425489 /nfs/dbraw/zinc/42/54/89/428425489.db2.gz SDZGSZBGRNKTFW-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C=CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000361605796 428582645 /nfs/dbraw/zinc/58/26/45/428582645.db2.gz YNGFBQYQZTUTJJ-UHFFFAOYSA-N 1 2 307.195 2.648 20 30 DFEDLO C=CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000361605796 428582649 /nfs/dbraw/zinc/58/26/49/428582649.db2.gz YNGFBQYQZTUTJJ-UHFFFAOYSA-N 1 2 307.195 2.648 20 30 DFEDLO C[N@H+](CC1(C#N)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000347457607 428583507 /nfs/dbraw/zinc/58/35/07/428583507.db2.gz KOAJFZWYIKPPPH-CYBMUJFWSA-N 1 2 309.207 2.718 20 30 DFEDLO C[N@@H+](CC1(C#N)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000347457607 428583511 /nfs/dbraw/zinc/58/35/11/428583511.db2.gz KOAJFZWYIKPPPH-CYBMUJFWSA-N 1 2 309.207 2.718 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347466795 428584009 /nfs/dbraw/zinc/58/40/09/428584009.db2.gz DLHLFCWKHVJMTP-DZGCQCFKSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347466795 428584012 /nfs/dbraw/zinc/58/40/12/428584012.db2.gz DLHLFCWKHVJMTP-DZGCQCFKSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000361105136 428535776 /nfs/dbraw/zinc/53/57/76/428535776.db2.gz AZSASFHGKDKJOA-ZACQAIPSSA-N 1 2 303.402 2.657 20 30 DFEDLO CC[C@H]([NH2+][C@@H](C(=O)OC)c1cccc(C#N)c1)C1CCOCC1 ZINC000343428850 428548358 /nfs/dbraw/zinc/54/83/58/428548358.db2.gz NRITUGQMDWMSDJ-DLBZAZTESA-N 1 2 316.401 2.567 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)CCC2 ZINC000373325469 428549875 /nfs/dbraw/zinc/54/98/75/428549875.db2.gz PMNNXCLVCCXPQH-LBPRGKRZSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(F)C2)c1C ZINC000347351813 428559118 /nfs/dbraw/zinc/55/91/18/428559118.db2.gz KMHVJWWTAFFIQC-GOSISDBHSA-N 1 2 317.408 2.984 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](C)(F)C2)c1C ZINC000347351813 428559126 /nfs/dbraw/zinc/55/91/26/428559126.db2.gz KMHVJWWTAFFIQC-GOSISDBHSA-N 1 2 317.408 2.984 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358640973 428618826 /nfs/dbraw/zinc/61/88/26/428618826.db2.gz UWGNIXRWHIIFGC-ZDUSSCGKSA-N 1 2 320.462 2.686 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000347648992 428619267 /nfs/dbraw/zinc/61/92/67/428619267.db2.gz MVEIQVIGPVCKRD-UHFFFAOYSA-N 1 2 324.403 2.977 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000347696365 428622864 /nfs/dbraw/zinc/62/28/64/428622864.db2.gz WFCXSLRQVXMZRJ-COPLHBTASA-N 1 2 323.343 2.897 20 30 DFEDLO C=CCN1CC[C@@H](N(C)c2cc(C)[nH+]c3c(F)cccc23)C1=O ZINC000358666462 428625040 /nfs/dbraw/zinc/62/50/40/428625040.db2.gz PNJDCZJFERXXSO-OAHLLOKOSA-N 1 2 313.376 2.905 20 30 DFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C#N)ccn2)cc1 ZINC000344312760 428629885 /nfs/dbraw/zinc/62/98/85/428629885.db2.gz YDFMHVAOBBSMGZ-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cnn1C ZINC000348197015 428652557 /nfs/dbraw/zinc/65/25/57/428652557.db2.gz AVPRUYJIUUEVHA-NSHDSACASA-N 1 2 322.372 2.501 20 30 DFEDLO C=CCNC(=O)C[NH+]1CCC(F)(c2ccccc2Cl)CC1 ZINC000374065951 428662363 /nfs/dbraw/zinc/66/23/63/428662363.db2.gz CUPUNECQNOTQKT-UHFFFAOYSA-N 1 2 310.800 2.903 20 30 DFEDLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374294916 428672723 /nfs/dbraw/zinc/67/27/23/428672723.db2.gz SXYLXJGCGUGMIM-ZDUSSCGKSA-N 1 2 323.400 2.960 20 30 DFEDLO C=CCC[C@H](O)C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000348303641 428700186 /nfs/dbraw/zinc/70/01/86/428700186.db2.gz BUKHLZOGCYLVNN-ZFWWWQNUSA-N 1 2 301.390 2.638 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000416340564 428722101 /nfs/dbraw/zinc/72/21/01/428722101.db2.gz KNAXOXLBEYPDNV-CRAIPNDOSA-N 1 2 320.396 2.511 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000362378768 428726066 /nfs/dbraw/zinc/72/60/66/428726066.db2.gz GVOICNYBYOBPJC-OLZOCXBDSA-N 1 2 323.387 2.803 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000362378768 428726069 /nfs/dbraw/zinc/72/60/69/428726069.db2.gz GVOICNYBYOBPJC-OLZOCXBDSA-N 1 2 323.387 2.803 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000348263045 428684616 /nfs/dbraw/zinc/68/46/16/428684616.db2.gz ATHJYFKWFQVNDF-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCn2cc[nH+]c2C1 ZINC000358806471 428686410 /nfs/dbraw/zinc/68/64/10/428686410.db2.gz NBLOAUFPAYQETF-UHFFFAOYSA-N 1 2 324.388 2.639 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCCCC ZINC000411187482 428757103 /nfs/dbraw/zinc/75/71/03/428757103.db2.gz AZDDCLBCPLFKFQ-CQSZACIVSA-N 1 2 319.405 2.888 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCCCC ZINC000411187482 428757109 /nfs/dbraw/zinc/75/71/09/428757109.db2.gz AZDDCLBCPLFKFQ-CQSZACIVSA-N 1 2 319.405 2.888 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411263455 428767650 /nfs/dbraw/zinc/76/76/50/428767650.db2.gz FGCVEYIHOQXZTN-CQSZACIVSA-N 1 2 300.468 2.606 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411263455 428767656 /nfs/dbraw/zinc/76/76/56/428767656.db2.gz FGCVEYIHOQXZTN-CQSZACIVSA-N 1 2 300.468 2.606 20 30 DFEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000353894172 428768167 /nfs/dbraw/zinc/76/81/67/428768167.db2.gz CWKRPRVFZGYSHF-SNVBAGLBSA-N 1 2 317.190 2.962 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000348542194 428776377 /nfs/dbraw/zinc/77/63/77/428776377.db2.gz BDIIRCUXGVWNNF-PXARDIRTSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000348542194 428776384 /nfs/dbraw/zinc/77/63/84/428776384.db2.gz BDIIRCUXGVWNNF-PXARDIRTSA-N 1 2 307.459 2.983 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000362654706 428796366 /nfs/dbraw/zinc/79/63/66/428796366.db2.gz ZUBARORIZHUAGH-QZTJIDSGSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000362654706 428796372 /nfs/dbraw/zinc/79/63/72/428796372.db2.gz ZUBARORIZHUAGH-QZTJIDSGSA-N 1 2 321.428 2.814 20 30 DFEDLO C=C(C)CN(CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348602786 428796549 /nfs/dbraw/zinc/79/65/49/428796549.db2.gz UFGIXXZQQFYQEN-UHFFFAOYSA-N 1 2 324.428 3.435 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000362679325 428799930 /nfs/dbraw/zinc/79/99/30/428799930.db2.gz JRFDDLHRPZVKQB-ZIAGYGMSSA-N 1 2 303.406 2.776 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000362899819 428810027 /nfs/dbraw/zinc/81/00/27/428810027.db2.gz DLRIYTYUJIIXGF-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000362899819 428810031 /nfs/dbraw/zinc/81/00/31/428810031.db2.gz DLRIYTYUJIIXGF-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000375187841 428819268 /nfs/dbraw/zinc/81/92/68/428819268.db2.gz POJZZFJZUSYOIT-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000375187841 428819270 /nfs/dbraw/zinc/81/92/70/428819270.db2.gz POJZZFJZUSYOIT-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1sccc1C#N ZINC000375409358 428875733 /nfs/dbraw/zinc/87/57/33/428875733.db2.gz SQUACFRJMHRFPV-DGCLKSJQSA-N 1 2 312.398 2.726 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363407102 428911168 /nfs/dbraw/zinc/91/11/68/428911168.db2.gz ZQDSBGZRGUGIOO-MRXNPFEDSA-N 1 2 321.371 2.864 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363407102 428911171 /nfs/dbraw/zinc/91/11/71/428911171.db2.gz ZQDSBGZRGUGIOO-MRXNPFEDSA-N 1 2 321.371 2.864 20 30 DFEDLO C=CCCCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000354278857 428950182 /nfs/dbraw/zinc/95/01/82/428950182.db2.gz WKIMZAHUXUAFEP-UHFFFAOYSA-N 1 2 324.428 3.483 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCc3cccc(C#N)c3)cc2n1C ZINC000354292461 428958599 /nfs/dbraw/zinc/95/85/99/428958599.db2.gz CZVOMQSOXQCDGM-UHFFFAOYSA-N 1 2 304.353 2.683 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000354943151 429019124 /nfs/dbraw/zinc/01/91/24/429019124.db2.gz OBJZMEQBZHNXFE-WOSRLPQWSA-N 1 2 323.437 2.717 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000354943151 429019128 /nfs/dbraw/zinc/01/91/28/429019128.db2.gz OBJZMEQBZHNXFE-WOSRLPQWSA-N 1 2 323.437 2.717 20 30 DFEDLO C=CCc1cc(C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC)cc(OC)c1O ZINC000355075487 429027476 /nfs/dbraw/zinc/02/74/76/429027476.db2.gz KDZTUKNBMGYXTB-BLLLJJGKSA-N 1 2 321.417 2.807 20 30 DFEDLO Cc1nc(NC(=O)C[NH+]2CCC(C)CC2)sc1SCC#N ZINC000354463371 428989148 /nfs/dbraw/zinc/98/91/48/428989148.db2.gz FVZXUHXHSWLQBW-UHFFFAOYSA-N 1 2 324.475 2.738 20 30 DFEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CC1 ZINC000354595019 428998629 /nfs/dbraw/zinc/99/86/29/428998629.db2.gz GUGXRTOFXBSBBV-UHFFFAOYSA-N 1 2 317.433 2.682 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354595677 428998792 /nfs/dbraw/zinc/99/87/92/428998792.db2.gz MZASTSFWNVFJKJ-QWHCGFSZSA-N 1 2 302.422 2.646 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354595677 428998797 /nfs/dbraw/zinc/99/87/97/428998797.db2.gz MZASTSFWNVFJKJ-QWHCGFSZSA-N 1 2 302.422 2.646 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354595685 428999819 /nfs/dbraw/zinc/99/98/19/428999819.db2.gz MZASTSFWNVFJKJ-STQMWFEESA-N 1 2 302.422 2.646 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354595685 428999828 /nfs/dbraw/zinc/99/98/28/428999828.db2.gz MZASTSFWNVFJKJ-STQMWFEESA-N 1 2 302.422 2.646 20 30 DFEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452337055 429097747 /nfs/dbraw/zinc/09/77/47/429097747.db2.gz YGIRGZPUHQSDQA-UHFFFAOYSA-N 1 2 324.384 2.887 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000376335115 429096518 /nfs/dbraw/zinc/09/65/18/429096518.db2.gz RWQSGZISSNTDIA-WMLDXEAASA-N 1 2 322.412 2.927 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)s1 ZINC000421891504 429045366 /nfs/dbraw/zinc/04/53/66/429045366.db2.gz VXOJNMDWTSOZHE-MRVPVSSYSA-N 1 2 307.400 2.714 20 30 DFEDLO N#CC[C@@H](CC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000355547308 429052099 /nfs/dbraw/zinc/05/20/99/429052099.db2.gz RINBUYWMMFMPRW-INIZCTEOSA-N 1 2 322.412 2.923 20 30 DFEDLO N#Cc1cccc([C@H]2CN(Cc3cn4ccccc4[nH+]3)CCO2)c1 ZINC000376208833 429077157 /nfs/dbraw/zinc/07/71/57/429077157.db2.gz HWQOTKKONSVNMF-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1cccc([C@@H]2CN(Cc3cn4ccccc4[nH+]3)CCO2)c1 ZINC000376208835 429077480 /nfs/dbraw/zinc/07/74/80/429077480.db2.gz HWQOTKKONSVNMF-SFHVURJKSA-N 1 2 318.380 2.779 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000424063253 429084903 /nfs/dbraw/zinc/08/49/03/429084903.db2.gz IJOKXWGZTUYXSA-ZIAGYGMSSA-N 1 2 311.389 2.546 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cnc(C3CCCC3)s2)nn1 ZINC000424166375 429103015 /nfs/dbraw/zinc/10/30/15/429103015.db2.gz AWQRSGCTGOEQEC-UHFFFAOYSA-N 1 2 303.435 2.868 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)nn1 ZINC000424175537 429104108 /nfs/dbraw/zinc/10/41/08/429104108.db2.gz UYVLSOFQGYGMNY-UHFFFAOYSA-N 1 2 322.359 2.972 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)nn1 ZINC000424299556 429122207 /nfs/dbraw/zinc/12/22/07/429122207.db2.gz VORYSHYYLMHZHK-HNNXBMFYSA-N 1 2 302.353 2.607 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)nn1 ZINC000424298628 429123576 /nfs/dbraw/zinc/12/35/76/429123576.db2.gz STGKFWDDCWVWDE-OAHLLOKOSA-N 1 2 306.797 2.595 20 30 DFEDLO C=C(C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000452718742 429135868 /nfs/dbraw/zinc/13/58/68/429135868.db2.gz QUGHVHBFUNRYKV-UHFFFAOYSA-N 1 2 310.401 3.093 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000424594187 429160314 /nfs/dbraw/zinc/16/03/14/429160314.db2.gz QJLYXOLKYGKFAJ-AWEZNQCLSA-N 1 2 317.433 2.525 20 30 DFEDLO C=C(C)CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000454640227 429169177 /nfs/dbraw/zinc/16/91/77/429169177.db2.gz JPMPLSXIJCFAGX-CQSZACIVSA-N 1 2 311.376 2.833 20 30 DFEDLO CC[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000487889345 429171732 /nfs/dbraw/zinc/17/17/32/429171732.db2.gz OWYOZVMYEOYJDD-ZDUSSCGKSA-N 1 2 302.374 2.512 20 30 DFEDLO CC[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000487889345 429171736 /nfs/dbraw/zinc/17/17/36/429171736.db2.gz OWYOZVMYEOYJDD-ZDUSSCGKSA-N 1 2 302.374 2.512 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000454919870 429175617 /nfs/dbraw/zinc/17/56/17/429175617.db2.gz CSIUCOFSKHPQDH-HNNXBMFYSA-N 1 2 320.437 2.636 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000364348846 429187265 /nfs/dbraw/zinc/18/72/65/429187265.db2.gz VGNOSLHOHHMDQY-MRXNPFEDSA-N 1 2 317.820 2.702 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000364348846 429187268 /nfs/dbraw/zinc/18/72/68/429187268.db2.gz VGNOSLHOHHMDQY-MRXNPFEDSA-N 1 2 317.820 2.702 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000455565922 429191741 /nfs/dbraw/zinc/19/17/41/429191741.db2.gz XGUVZXXIRMUECV-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455920896 429225781 /nfs/dbraw/zinc/22/57/81/429225781.db2.gz ODZFREIUNJYPHP-UHFFFAOYSA-N 1 2 311.389 2.927 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000455953952 429226959 /nfs/dbraw/zinc/22/69/59/429226959.db2.gz LJOFEZJALVTULX-OAHLLOKOSA-N 1 2 309.373 2.873 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000425138153 429237919 /nfs/dbraw/zinc/23/79/19/429237919.db2.gz YKPQRSQAAGRUGT-CJNGLKHVSA-N 1 2 308.385 2.537 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489406783 429238131 /nfs/dbraw/zinc/23/81/31/429238131.db2.gz OZSZTDZNXLDZNU-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489406783 429238133 /nfs/dbraw/zinc/23/81/33/429238133.db2.gz OZSZTDZNXLDZNU-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000442888115 429241423 /nfs/dbraw/zinc/24/14/23/429241423.db2.gz DVUQMLCTACXLRW-GFCCVEGCSA-N 1 2 304.390 2.729 20 30 DFEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000442888115 429241426 /nfs/dbraw/zinc/24/14/26/429241426.db2.gz DVUQMLCTACXLRW-GFCCVEGCSA-N 1 2 304.390 2.729 20 30 DFEDLO Cc1cc(NCc2ccnc(OCC(F)(F)F)c2)c(C#N)c[nH+]1 ZINC000425203822 429244360 /nfs/dbraw/zinc/24/43/60/429244360.db2.gz GOUHPHMPVKKTIV-UHFFFAOYSA-N 1 2 322.290 2.632 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C#N)c(OC)c1 ZINC000443069680 429245260 /nfs/dbraw/zinc/24/52/60/429245260.db2.gz XVVSCOZATIKQLQ-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)c(OC)c1 ZINC000443069680 429245264 /nfs/dbraw/zinc/24/52/64/429245264.db2.gz XVVSCOZATIKQLQ-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COc1cccc(N2CC[C@@H](CNc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425218903 429247146 /nfs/dbraw/zinc/24/71/46/429247146.db2.gz AHXPZSGVYVYDAR-HNNXBMFYSA-N 1 2 322.412 2.631 20 30 DFEDLO Cc1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000425245331 429251150 /nfs/dbraw/zinc/25/11/50/429251150.db2.gz IXKYRWFZGGOZHU-UHFFFAOYSA-N 1 2 315.417 2.996 20 30 DFEDLO Cc1cc(NC[C@H](c2ccccc2)C(C)(C)CO)c(C#N)c[nH+]1 ZINC000425244482 429251884 /nfs/dbraw/zinc/25/18/84/429251884.db2.gz VKFPGPWHJJRVTO-QGZVFWFLSA-N 1 2 309.413 2.898 20 30 DFEDLO C=C(C)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443583594 429255372 /nfs/dbraw/zinc/25/53/72/429255372.db2.gz WGUGKJHQEZNIRV-UHFFFAOYSA-N 1 2 307.825 2.573 20 30 DFEDLO C=C(C)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443583594 429255376 /nfs/dbraw/zinc/25/53/76/429255376.db2.gz WGUGKJHQEZNIRV-UHFFFAOYSA-N 1 2 307.825 2.573 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443659371 429256185 /nfs/dbraw/zinc/25/61/85/429256185.db2.gz WOEIYRGFLZLWNT-ZIAGYGMSSA-N 1 2 322.836 2.874 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443659371 429256189 /nfs/dbraw/zinc/25/61/89/429256189.db2.gz WOEIYRGFLZLWNT-ZIAGYGMSSA-N 1 2 322.836 2.874 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425304880 429260431 /nfs/dbraw/zinc/26/04/31/429260431.db2.gz ADEHIONPKMGLRI-OAHLLOKOSA-N 1 2 310.401 2.940 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692569 429274876 /nfs/dbraw/zinc/27/48/76/429274876.db2.gz CBFODEAJLGFYOG-YVEFUNNKSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692569 429274880 /nfs/dbraw/zinc/27/48/80/429274880.db2.gz CBFODEAJLGFYOG-YVEFUNNKSA-N 1 2 323.387 2.840 20 30 DFEDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444728871 429275958 /nfs/dbraw/zinc/27/59/58/429275958.db2.gz CIZWGRVNOASRQC-ZDUSSCGKSA-N 1 2 303.381 2.517 20 30 DFEDLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444728871 429275964 /nfs/dbraw/zinc/27/59/64/429275964.db2.gz CIZWGRVNOASRQC-ZDUSSCGKSA-N 1 2 303.381 2.517 20 30 DFEDLO Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000497027201 429318378 /nfs/dbraw/zinc/31/83/78/429318378.db2.gz RJOHEDJVYKQFKC-QWHCGFSZSA-N 1 2 318.421 2.787 20 30 DFEDLO Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000497027199 429318397 /nfs/dbraw/zinc/31/83/97/429318397.db2.gz RJOHEDJVYKQFKC-CHWSQXEVSA-N 1 2 318.421 2.787 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000365456207 429322807 /nfs/dbraw/zinc/32/28/07/429322807.db2.gz QUHITEOKQLKURZ-UHFFFAOYSA-N 1 2 313.336 2.558 20 30 DFEDLO CCN(CC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365510448 429330801 /nfs/dbraw/zinc/33/08/01/429330801.db2.gz STYZPGMCXKUQAC-UHFFFAOYSA-N 1 2 301.438 2.723 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)n1 ZINC000491289181 429344214 /nfs/dbraw/zinc/34/42/14/429344214.db2.gz XLJDAXSFYVUDAC-UHFFFAOYSA-N 1 2 312.344 2.643 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)n1 ZINC000491289181 429344220 /nfs/dbraw/zinc/34/42/20/429344220.db2.gz XLJDAXSFYVUDAC-UHFFFAOYSA-N 1 2 312.344 2.643 20 30 DFEDLO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456743342 429344869 /nfs/dbraw/zinc/34/48/69/429344869.db2.gz FUUJSNBJHXWSAN-SJORKVTESA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456743342 429344872 /nfs/dbraw/zinc/34/48/72/429344872.db2.gz FUUJSNBJHXWSAN-SJORKVTESA-N 1 2 315.417 2.581 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccc(F)cc1 ZINC000491297093 429346157 /nfs/dbraw/zinc/34/61/57/429346157.db2.gz ONDAQXKRXHATEW-WFASDCNBSA-N 1 2 314.364 2.777 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973765 429300702 /nfs/dbraw/zinc/30/07/02/429300702.db2.gz FQZDPAPYFJRYQG-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973765 429300705 /nfs/dbraw/zinc/30/07/05/429300705.db2.gz FQZDPAPYFJRYQG-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447404495 429303503 /nfs/dbraw/zinc/30/35/03/429303503.db2.gz JZUKJALPJRXWHH-CQSZACIVSA-N 1 2 320.481 2.952 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447404495 429303505 /nfs/dbraw/zinc/30/35/05/429303505.db2.gz JZUKJALPJRXWHH-CQSZACIVSA-N 1 2 320.481 2.952 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1cc(C#N)ccc1OC ZINC000447845468 429307445 /nfs/dbraw/zinc/30/74/45/429307445.db2.gz UNMKEMXKRRPIFS-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1cc(C#N)ccc1OC ZINC000447845468 429307450 /nfs/dbraw/zinc/30/74/50/429307450.db2.gz UNMKEMXKRRPIFS-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000490841874 429308313 /nfs/dbraw/zinc/30/83/13/429308313.db2.gz XHHCFMFASMEOPC-AWEZNQCLSA-N 1 2 315.442 2.832 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000490841874 429308317 /nfs/dbraw/zinc/30/83/17/429308317.db2.gz XHHCFMFASMEOPC-AWEZNQCLSA-N 1 2 315.442 2.832 20 30 DFEDLO C#CC[N@@H+](Cc1cc(=O)c(OC)co1)[C@@H]1CCc2ccccc21 ZINC000490830051 429309200 /nfs/dbraw/zinc/30/92/00/429309200.db2.gz ICNSVZHYSIVIHN-QGZVFWFLSA-N 1 2 309.365 2.771 20 30 DFEDLO C#CC[N@H+](Cc1cc(=O)c(OC)co1)[C@@H]1CCc2ccccc21 ZINC000490830051 429309202 /nfs/dbraw/zinc/30/92/02/429309202.db2.gz ICNSVZHYSIVIHN-QGZVFWFLSA-N 1 2 309.365 2.771 20 30 DFEDLO C=CCCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000448375380 429312310 /nfs/dbraw/zinc/31/23/10/429312310.db2.gz MNRQJJLIBPDJNJ-UHFFFAOYSA-N 1 2 321.852 2.964 20 30 DFEDLO C=CCCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000448375380 429312313 /nfs/dbraw/zinc/31/23/13/429312313.db2.gz MNRQJJLIBPDJNJ-UHFFFAOYSA-N 1 2 321.852 2.964 20 30 DFEDLO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496354630 429313126 /nfs/dbraw/zinc/31/31/26/429313126.db2.gz CADCYRNCQBYFDR-BXUZGUMPSA-N 1 2 316.405 2.611 20 30 DFEDLO Cn1cc(-c2ncc(C[N@H+](CCC#N)CC(C)(C)C)cn2)cn1 ZINC000365410734 429314871 /nfs/dbraw/zinc/31/48/71/429314871.db2.gz AWVQUEGEJYSJBX-UHFFFAOYSA-N 1 2 312.421 2.639 20 30 DFEDLO Cn1cc(-c2ncc(C[N@@H+](CCC#N)CC(C)(C)C)cn2)cn1 ZINC000365410734 429314873 /nfs/dbraw/zinc/31/48/73/429314873.db2.gz AWVQUEGEJYSJBX-UHFFFAOYSA-N 1 2 312.421 2.639 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000448719762 429316490 /nfs/dbraw/zinc/31/64/90/429316490.db2.gz LPBJTKWFILPOMD-KSSFIOAISA-N 1 2 312.417 2.628 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000366065442 429410946 /nfs/dbraw/zinc/41/09/46/429410946.db2.gz DUWBHMDIGXCRJG-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000366065442 429410949 /nfs/dbraw/zinc/41/09/49/429410949.db2.gz DUWBHMDIGXCRJG-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO Cc1cccn2cc(CNC(=O)/C=C/c3ccc(C#N)cc3)[nH+]c12 ZINC000491730442 429399173 /nfs/dbraw/zinc/39/91/73/429399173.db2.gz FMLKCMPXNOUIGL-CMDGGOBGSA-N 1 2 316.364 2.844 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(F)cc2)n1 ZINC000491774015 429405687 /nfs/dbraw/zinc/40/56/87/429405687.db2.gz WKAAGBUZONTNAI-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(F)cc2)n1 ZINC000491774015 429405691 /nfs/dbraw/zinc/40/56/91/429405691.db2.gz WKAAGBUZONTNAI-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000491773076 429405925 /nfs/dbraw/zinc/40/59/25/429405925.db2.gz BMSKTBWQILQGJF-OAHLLOKOSA-N 1 2 314.433 2.625 20 30 DFEDLO N#CCCCOc1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000449404959 429407399 /nfs/dbraw/zinc/40/73/99/429407399.db2.gz HBGQQIIYVIEJER-UHFFFAOYSA-N 1 2 311.389 2.654 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000491783565 429409287 /nfs/dbraw/zinc/40/92/87/429409287.db2.gz OALLIOUXGBXJLR-JTQLQIEISA-N 1 2 306.207 2.789 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000491783565 429409293 /nfs/dbraw/zinc/40/92/93/429409293.db2.gz OALLIOUXGBXJLR-JTQLQIEISA-N 1 2 306.207 2.789 20 30 DFEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000491442122 429360417 /nfs/dbraw/zinc/36/04/17/429360417.db2.gz ZUZXFAHAZYKDSM-MRXNPFEDSA-N 1 2 321.355 2.975 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(F)cc1 ZINC000491475170 429364459 /nfs/dbraw/zinc/36/44/59/429364459.db2.gz UJNKVUXVTKIMRS-AWEZNQCLSA-N 1 2 318.373 2.792 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000491555455 429374372 /nfs/dbraw/zinc/37/43/72/429374372.db2.gz RFJCEWGRNJPDKU-LBPRGKRZSA-N 1 2 306.356 2.582 20 30 DFEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000491555455 429374375 /nfs/dbraw/zinc/37/43/75/429374375.db2.gz RFJCEWGRNJPDKU-LBPRGKRZSA-N 1 2 306.356 2.582 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000366428622 429451294 /nfs/dbraw/zinc/45/12/94/429451294.db2.gz LJRMFIQPAIVUEV-AWEZNQCLSA-N 1 2 309.373 2.762 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCCC2 ZINC000449455780 429422205 /nfs/dbraw/zinc/42/22/05/429422205.db2.gz BDZCAFCDGQRIFB-UHFFFAOYSA-N 1 2 313.380 2.650 20 30 DFEDLO C=CCCCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427844705 429474511 /nfs/dbraw/zinc/47/45/11/429474511.db2.gz YCPKYXHYHZBVHP-OAHLLOKOSA-N 1 2 319.474 2.818 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427987677 429480984 /nfs/dbraw/zinc/48/09/84/429480984.db2.gz BRDRIPQVARDVGW-CYBMUJFWSA-N 1 2 313.426 2.906 20 30 DFEDLO COCCN(C)c1ccc(CNc2cc(C)cc(C#N)c2)c[nH+]1 ZINC000449761228 429500426 /nfs/dbraw/zinc/50/04/26/429500426.db2.gz VVEBAZKXIVGZQW-UHFFFAOYSA-N 1 2 310.401 2.956 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)sc1Cl ZINC000520819789 429530831 /nfs/dbraw/zinc/53/08/31/429530831.db2.gz MKTLAICSIFJHCD-NSHDSACASA-N 1 2 306.218 2.629 20 30 DFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000449987370 429550825 /nfs/dbraw/zinc/55/08/25/429550825.db2.gz QCMSWIZAAWZEOU-SJORKVTESA-N 1 2 320.477 2.692 20 30 DFEDLO COCC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492606254 429577220 /nfs/dbraw/zinc/57/72/20/429577220.db2.gz JKCIVTRQNWAQLA-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492606254 429577223 /nfs/dbraw/zinc/57/72/23/429577223.db2.gz JKCIVTRQNWAQLA-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CCC1 ZINC000450257992 429587792 /nfs/dbraw/zinc/58/77/92/429587792.db2.gz YQTWSASTEKKSFQ-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CCC1 ZINC000450257992 429587794 /nfs/dbraw/zinc/58/77/94/429587794.db2.gz YQTWSASTEKKSFQ-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000492411313 429533009 /nfs/dbraw/zinc/53/30/09/429533009.db2.gz SUQPPNJVNYXTDZ-WBTMPAOCSA-N 1 2 314.776 2.951 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)c3cccc(C#N)c3)[nH+]c12 ZINC000522960997 429599068 /nfs/dbraw/zinc/59/90/68/429599068.db2.gz NARZTNBLUPBVRC-UHFFFAOYSA-N 1 2 304.353 2.720 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)n2c1 ZINC000367229771 429601382 /nfs/dbraw/zinc/60/13/82/429601382.db2.gz TXQKFVOIQWXKNA-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)n2c1 ZINC000367229771 429601384 /nfs/dbraw/zinc/60/13/84/429601384.db2.gz TXQKFVOIQWXKNA-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccccc4)C3)n2c1 ZINC000367229771 429601389 /nfs/dbraw/zinc/60/13/89/429601389.db2.gz TXQKFVOIQWXKNA-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000493011593 429665663 /nfs/dbraw/zinc/66/56/63/429665663.db2.gz AWWFTSOKWSHPQS-DUMMIQTOSA-N 1 2 319.364 2.646 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430278187 429670934 /nfs/dbraw/zinc/67/09/34/429670934.db2.gz PGHIMKRTIIBWRL-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430278187 429670936 /nfs/dbraw/zinc/67/09/36/429670936.db2.gz PGHIMKRTIIBWRL-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000493108161 429689988 /nfs/dbraw/zinc/68/99/88/429689988.db2.gz RHGMVXKRHMLCFF-XITLMJRVSA-N 1 2 305.809 2.622 20 30 DFEDLO Cc1nsc(NC(=O)NCc2c[nH+]c(C)cc2C)c1C#N ZINC000459557911 429698805 /nfs/dbraw/zinc/69/88/05/429698805.db2.gz FLNYTUXGXIGWST-UHFFFAOYSA-N 1 2 301.375 2.657 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000458994897 429694176 /nfs/dbraw/zinc/69/41/76/429694176.db2.gz ZYDUJHFJUYQSNQ-UHFFFAOYSA-N 1 2 312.417 3.158 20 30 DFEDLO C[N@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377655 429695774 /nfs/dbraw/zinc/69/57/74/429695774.db2.gz PRXWGNGDCMSRJS-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO C[N@@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377655 429695778 /nfs/dbraw/zinc/69/57/78/429695778.db2.gz PRXWGNGDCMSRJS-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO COCc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459612756 429700498 /nfs/dbraw/zinc/70/04/98/429700498.db2.gz MQNBKFVUFHVWSZ-UHFFFAOYSA-N 1 2 308.381 2.968 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367821938 429723536 /nfs/dbraw/zinc/72/35/36/429723536.db2.gz PGMDBZXVHITOLM-HZPDHXFCSA-N 1 2 321.371 2.728 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367821938 429723540 /nfs/dbraw/zinc/72/35/40/429723540.db2.gz PGMDBZXVHITOLM-HZPDHXFCSA-N 1 2 321.371 2.728 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1)C1CC1 ZINC000367866822 429732487 /nfs/dbraw/zinc/73/24/87/429732487.db2.gz VPEYIPKBFHXLDR-NVXWUHKLSA-N 1 2 317.458 2.939 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1)C1CC1 ZINC000367866822 429732491 /nfs/dbraw/zinc/73/24/91/429732491.db2.gz VPEYIPKBFHXLDR-NVXWUHKLSA-N 1 2 317.458 2.939 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000483426643 429734610 /nfs/dbraw/zinc/73/46/10/429734610.db2.gz FZBZMUIWKSLCJG-UHFFFAOYSA-N 1 2 319.474 2.551 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccn1 ZINC000527531799 429758870 /nfs/dbraw/zinc/75/88/70/429758870.db2.gz CDEFJTMQTKQLPD-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000368283721 429824601 /nfs/dbraw/zinc/82/46/01/429824601.db2.gz KJADCROUQDLUHX-CQSZACIVSA-N 1 2 306.410 2.505 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(CC#N)cc1 ZINC000368464047 429852400 /nfs/dbraw/zinc/85/24/00/429852400.db2.gz AXOKPALXQKUQRP-UHFFFAOYSA-N 1 2 308.385 2.558 20 30 DFEDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(C)C ZINC000451613315 429861621 /nfs/dbraw/zinc/86/16/21/429861621.db2.gz YJSCLYNRZOHRFW-INIZCTEOSA-N 1 2 304.390 2.503 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000368807839 429896184 /nfs/dbraw/zinc/89/61/84/429896184.db2.gz UGSCEWPRUDLRPE-JKSUJKDBSA-N 1 2 324.384 2.781 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000368807839 429896186 /nfs/dbraw/zinc/89/61/86/429896186.db2.gz UGSCEWPRUDLRPE-JKSUJKDBSA-N 1 2 324.384 2.781 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368846105 429897899 /nfs/dbraw/zinc/89/78/99/429897899.db2.gz QNFPWNUUDOGWQC-GFCCVEGCSA-N 1 2 315.211 2.791 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368846105 429897901 /nfs/dbraw/zinc/89/79/01/429897901.db2.gz QNFPWNUUDOGWQC-GFCCVEGCSA-N 1 2 315.211 2.791 20 30 DFEDLO N#C[C@H](NC(=O)Cn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000573536155 429960575 /nfs/dbraw/zinc/96/05/75/429960575.db2.gz QFCXFHWIHPPUMS-NSHDSACASA-N 1 2 309.156 2.571 20 30 DFEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccc(C#N)nc1 ZINC000528895763 429930449 /nfs/dbraw/zinc/93/04/49/429930449.db2.gz XRIAKZUCTZWDKX-UHFFFAOYSA-N 1 2 310.357 2.707 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000573895395 429991828 /nfs/dbraw/zinc/99/18/28/429991828.db2.gz PXZFWJYHLHQQBE-CABCVRRESA-N 1 2 312.373 2.552 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000573953665 429997336 /nfs/dbraw/zinc/99/73/36/429997336.db2.gz JVNQVIZJEYQTPF-DOMZBBRYSA-N 1 2 314.389 2.549 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000532181154 430152548 /nfs/dbraw/zinc/15/25/48/430152548.db2.gz NKYIGWKWYDTFAC-AWEZNQCLSA-N 1 2 320.396 2.533 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000532181154 430152550 /nfs/dbraw/zinc/15/25/50/430152550.db2.gz NKYIGWKWYDTFAC-AWEZNQCLSA-N 1 2 320.396 2.533 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000562479405 430136152 /nfs/dbraw/zinc/13/61/52/430136152.db2.gz ZEFYWOWAKURWRV-ROUUACIJSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000562479405 430136154 /nfs/dbraw/zinc/13/61/54/430136154.db2.gz ZEFYWOWAKURWRV-ROUUACIJSA-N 1 2 321.380 2.657 20 30 DFEDLO N#Cc1cc(F)c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000531911559 430149310 /nfs/dbraw/zinc/14/93/10/430149310.db2.gz ZBKOUEJHZJUOCJ-HOTGVXAUSA-N 1 2 321.371 2.892 20 30 DFEDLO CCN(C(C)=O)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541920899 430196783 /nfs/dbraw/zinc/19/67/83/430196783.db2.gz QVHZMSWMINYXHW-UHFFFAOYSA-N 1 2 306.435 2.642 20 30 DFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)C(F)(F)F ZINC000565374218 430210387 /nfs/dbraw/zinc/21/03/87/430210387.db2.gz UFWLMDFTWIGXLK-UWVGGRQHSA-N 1 2 316.327 2.511 20 30 DFEDLO C=C1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000543524671 430250920 /nfs/dbraw/zinc/25/09/20/430250920.db2.gz MTIFBRCMRROVGA-UHFFFAOYSA-N 1 2 322.412 3.189 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543194 430251397 /nfs/dbraw/zinc/25/13/97/430251397.db2.gz AQBKLTQWBOYUPF-QGZVFWFLSA-N 1 2 316.401 2.649 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000566308266 430251462 /nfs/dbraw/zinc/25/14/62/430251462.db2.gz GEKJJJMBVUIHRB-MRXNPFEDSA-N 1 2 319.836 2.623 20 30 DFEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCn2cc[nH+]c2C1 ZINC000566355517 430253482 /nfs/dbraw/zinc/25/34/82/430253482.db2.gz BPKOYMHIYQKZEQ-UHFFFAOYSA-N 1 2 320.400 2.738 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000566428485 430259317 /nfs/dbraw/zinc/25/93/17/430259317.db2.gz GHFXKVRJDSUGTA-ZYHUDNBSSA-N 1 2 309.797 2.957 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000567058781 430276835 /nfs/dbraw/zinc/27/68/35/430276835.db2.gz DSAYTTRJHUNRLY-INIZCTEOSA-N 1 2 317.433 2.587 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ccnc(C#N)n1 ZINC000567179835 430278984 /nfs/dbraw/zinc/27/89/84/430278984.db2.gz WEOYIZWYUSYQSX-CQSZACIVSA-N 1 2 318.384 2.675 20 30 DFEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1c[nH]c2ccccc21 ZINC000567995547 430303878 /nfs/dbraw/zinc/30/38/78/430303878.db2.gz NLDLDYZNNCBIRT-FZKQIMNGSA-N 1 2 312.417 2.622 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000568302084 430346165 /nfs/dbraw/zinc/34/61/65/430346165.db2.gz LEKHGKUQLAEJAD-UHFFFAOYSA-N 1 2 315.442 2.782 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000568302084 430346169 /nfs/dbraw/zinc/34/61/69/430346169.db2.gz LEKHGKUQLAEJAD-UHFFFAOYSA-N 1 2 315.442 2.782 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cccc(Cl)c2F)nn1 ZINC000641176141 430354151 /nfs/dbraw/zinc/35/41/51/430354151.db2.gz WNAKSDWZSXGBIH-LLVKDONJSA-N 1 2 306.772 2.793 20 30 DFEDLO N#CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000568466832 430360391 /nfs/dbraw/zinc/36/03/91/430360391.db2.gz LAMVQLQZXKSPGA-UHFFFAOYSA-N 1 2 322.412 2.769 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 ZINC000568638401 430377495 /nfs/dbraw/zinc/37/74/95/430377495.db2.gz XJVZYJCQENDZQF-GOSISDBHSA-N 1 2 301.434 2.704 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568897806 430403586 /nfs/dbraw/zinc/40/35/86/430403586.db2.gz CFZIZYULEHLPLO-ZYHUDNBSSA-N 1 2 304.781 2.821 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000583607539 430409952 /nfs/dbraw/zinc/40/99/52/430409952.db2.gz WURQHTXHUYGOQD-GXFFZTMASA-N 1 2 311.345 2.591 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000583980823 430446189 /nfs/dbraw/zinc/44/61/89/430446189.db2.gz OYYMDOBTLVABQI-BBATYDOGSA-N 1 2 308.385 2.617 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635959421 430421102 /nfs/dbraw/zinc/42/11/02/430421102.db2.gz HHKMRZTVDBTOHS-KRWDZBQOSA-N 1 2 316.445 2.988 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635959421 430421106 /nfs/dbraw/zinc/42/11/06/430421106.db2.gz HHKMRZTVDBTOHS-KRWDZBQOSA-N 1 2 316.445 2.988 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000548631408 430487474 /nfs/dbraw/zinc/48/74/74/430487474.db2.gz CTOMPZMOVICYQM-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1ccc(N[C@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)nn1 ZINC000591974050 430491872 /nfs/dbraw/zinc/49/18/72/430491872.db2.gz YOKMUXHRGJBKAG-STQMWFEESA-N 1 2 318.384 3.363 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252047 430496744 /nfs/dbraw/zinc/49/67/44/430496744.db2.gz QMSHXZDAGYIQEE-QAPCUYQASA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252047 430496746 /nfs/dbraw/zinc/49/67/46/430496746.db2.gz QMSHXZDAGYIQEE-QAPCUYQASA-N 1 2 314.429 2.694 20 30 DFEDLO CCCC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1cc(C)on1 ZINC000595701476 430503866 /nfs/dbraw/zinc/50/38/66/430503866.db2.gz GNFTVYWRSAIXTE-ZNMIVQPWSA-N 1 2 318.421 3.152 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112517 430530328 /nfs/dbraw/zinc/53/03/28/430530328.db2.gz RGKVAMFGSNLEOJ-LBPRGKRZSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112517 430530333 /nfs/dbraw/zinc/53/03/33/430530333.db2.gz RGKVAMFGSNLEOJ-LBPRGKRZSA-N 1 2 314.838 2.528 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570867951 430585772 /nfs/dbraw/zinc/58/57/72/430585772.db2.gz PWXSETYIVMOFEG-RDTXWAMCSA-N 1 2 315.392 2.508 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570867951 430585776 /nfs/dbraw/zinc/58/57/76/430585776.db2.gz PWXSETYIVMOFEG-RDTXWAMCSA-N 1 2 315.392 2.508 20 30 DFEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1-c1ccncc1 ZINC000571040925 430599235 /nfs/dbraw/zinc/59/92/35/430599235.db2.gz UQDDQTROCVFOPL-SFHVURJKSA-N 1 2 324.428 2.675 20 30 DFEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1-c1ccncc1 ZINC000571040925 430599237 /nfs/dbraw/zinc/59/92/37/430599237.db2.gz UQDDQTROCVFOPL-SFHVURJKSA-N 1 2 324.428 2.675 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000571775194 430652537 /nfs/dbraw/zinc/65/25/37/430652537.db2.gz YWCWSRVBNGCQQW-HNNXBMFYSA-N 1 2 314.433 2.816 20 30 DFEDLO CC1(C)C[NH+](CC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000552916632 430603438 /nfs/dbraw/zinc/60/34/38/430603438.db2.gz YUPLYIGPKBAQEC-UHFFFAOYSA-N 1 2 319.408 2.762 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000554443477 430636243 /nfs/dbraw/zinc/63/62/43/430636243.db2.gz OZWHCYLCQZUXBF-CYBMUJFWSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000555532287 430668890 /nfs/dbraw/zinc/66/88/90/430668890.db2.gz NCYDIYWOSGPSBT-JTQLQIEISA-N 1 2 313.311 2.730 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C)n2)c1C#N ZINC000555684338 430672326 /nfs/dbraw/zinc/67/23/26/430672326.db2.gz ZTPYEQAFXQGSIB-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C)n2)c1C#N ZINC000555684338 430672328 /nfs/dbraw/zinc/67/23/28/430672328.db2.gz ZTPYEQAFXQGSIB-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO C=CCCCS(=O)(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000644221258 430709892 /nfs/dbraw/zinc/70/98/92/430709892.db2.gz OSAZXTPKYKQFBM-CQSZACIVSA-N 1 2 311.451 2.726 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651143917 430718678 /nfs/dbraw/zinc/71/86/78/430718678.db2.gz PHODXUIWSCWOAG-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CC1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000661546288 430754417 /nfs/dbraw/zinc/75/44/17/430754417.db2.gz LUDNXCAPSWOHBF-UHFFFAOYSA-N 1 2 314.433 2.789 20 30 DFEDLO C=CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661569480 430759913 /nfs/dbraw/zinc/75/99/13/430759913.db2.gz QCDNRPBRRZOLKL-CQSZACIVSA-N 1 2 302.422 2.685 20 30 DFEDLO C=C(C)C[C@@H](NC(C)=O)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984101 430796725 /nfs/dbraw/zinc/79/67/25/430796725.db2.gz KGBGRYXBYOETFL-CQSZACIVSA-N 1 2 300.362 2.507 20 30 DFEDLO C=C(C)C[C@H](NC(C)=O)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984099 430796876 /nfs/dbraw/zinc/79/68/76/430796876.db2.gz KGBGRYXBYOETFL-AWEZNQCLSA-N 1 2 300.362 2.507 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000665388469 430919252 /nfs/dbraw/zinc/91/92/52/430919252.db2.gz OTBQILOEWKKWCC-OAGGEKHMSA-N 1 2 316.449 2.880 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662092651 430957418 /nfs/dbraw/zinc/95/74/18/430957418.db2.gz LVZSJHFBZBOQHE-HNNXBMFYSA-N 1 2 312.417 2.921 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1cccc(Br)c1C#N)CC2 ZINC000378001145 279003870 /nfs/dbraw/zinc/00/38/70/279003870.db2.gz YZLQKPRJHZCWRS-UHFFFAOYSA-N 1 2 317.190 2.846 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210532 431310693 /nfs/dbraw/zinc/31/06/93/431310693.db2.gz DXKLGALYBVVIGG-MELADBBJSA-N 1 2 315.417 2.670 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210532 431310697 /nfs/dbraw/zinc/31/06/97/431310697.db2.gz DXKLGALYBVVIGG-MELADBBJSA-N 1 2 315.417 2.670 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000656452482 431388254 /nfs/dbraw/zinc/38/82/54/431388254.db2.gz PWYVMQCHHRYMGO-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000653598132 431454328 /nfs/dbraw/zinc/45/43/28/431454328.db2.gz NMEJZLCAOVIWOE-GFCCVEGCSA-N 1 2 304.369 2.853 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)nn1 ZINC000653678534 431489326 /nfs/dbraw/zinc/48/93/26/431489326.db2.gz OYBJSKVKDLTAEA-INIZCTEOSA-N 1 2 320.824 2.985 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)nn1 ZINC000657428761 431743675 /nfs/dbraw/zinc/74/36/75/431743675.db2.gz AOHAFUVWYCPGMD-MRXNPFEDSA-N 1 2 316.380 2.997 20 30 DFEDLO C=CC[N@H+](Cc1nc(CCc2ccccc2)no1)[C@@H](C)COC ZINC000661244400 431793858 /nfs/dbraw/zinc/79/38/58/431793858.db2.gz SNNMEKSNUHFGSG-HNNXBMFYSA-N 1 2 315.417 2.878 20 30 DFEDLO C=CC[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@@H](C)COC ZINC000661244400 431793865 /nfs/dbraw/zinc/79/38/65/431793865.db2.gz SNNMEKSNUHFGSG-HNNXBMFYSA-N 1 2 315.417 2.878 20 30 DFEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000648095830 431817143 /nfs/dbraw/zinc/81/71/43/431817143.db2.gz JCYKESXKWXPKHG-UHFFFAOYSA-N 1 2 316.445 2.860 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000292463887 335090405 /nfs/dbraw/zinc/09/04/05/335090405.db2.gz AFMSCZNYPQYEGP-UHFFFAOYSA-N 1 2 316.449 2.511 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCSc3ccccc32)C(N)=O)cc1 ZINC000360069287 294945310 /nfs/dbraw/zinc/94/53/10/294945310.db2.gz NXTCJEJCRWHEQC-RDJZCZTQSA-N 1 2 323.421 2.911 20 30 DFEDLO COc1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000157406183 295348243 /nfs/dbraw/zinc/34/82/43/295348243.db2.gz MXRJLLFBDOJMIQ-UHFFFAOYSA-N 1 2 313.426 2.951 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444736027 297248237 /nfs/dbraw/zinc/24/82/37/297248237.db2.gz VNTMRDVSLYERHT-RISCZKNCSA-N 1 2 316.298 2.833 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)CCS1 ZINC000535204064 301250868 /nfs/dbraw/zinc/25/08/68/301250868.db2.gz BERGRJWIHBEBTL-ZDUSSCGKSA-N 1 2 304.415 2.672 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)CCS1 ZINC000535204064 301250871 /nfs/dbraw/zinc/25/08/71/301250871.db2.gz BERGRJWIHBEBTL-ZDUSSCGKSA-N 1 2 304.415 2.672 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000535227833 301251464 /nfs/dbraw/zinc/25/14/64/301251464.db2.gz VBXUJIXXCXVPQL-UHFFFAOYSA-N 1 2 319.364 2.849 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000535227833 301251466 /nfs/dbraw/zinc/25/14/66/301251466.db2.gz VBXUJIXXCXVPQL-UHFFFAOYSA-N 1 2 319.364 2.849 20 30 DFEDLO Cn1c2ccc(CNc3cnc(C#N)cn3)cc2[nH+]c1C1CC1 ZINC000563898006 302107369 /nfs/dbraw/zinc/10/73/69/302107369.db2.gz BJLCVMGQWONEPZ-UHFFFAOYSA-N 1 2 304.357 2.724 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919954 302174163 /nfs/dbraw/zinc/17/41/63/302174163.db2.gz CQVWQHCOJRZKOB-QZTJIDSGSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919954 302174167 /nfs/dbraw/zinc/17/41/67/302174167.db2.gz CQVWQHCOJRZKOB-QZTJIDSGSA-N 1 2 321.380 2.657 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ccnc(C#N)n2)CC1 ZINC000566020177 302254463 /nfs/dbraw/zinc/25/44/63/302254463.db2.gz GTLQCCAFJBVDEE-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)n1 ZINC000567266743 302345858 /nfs/dbraw/zinc/34/58/58/302345858.db2.gz HPKYBBOHRQYPBH-AWEZNQCLSA-N 1 2 324.388 2.929 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cccc(C#N)n1 ZINC000567266744 302346150 /nfs/dbraw/zinc/34/61/50/302346150.db2.gz HPKYBBOHRQYPBH-CQSZACIVSA-N 1 2 324.388 2.929 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)ccc2Cl)[nH+]1 ZINC000567619975 302374275 /nfs/dbraw/zinc/37/42/75/302374275.db2.gz KREBHVIWFVUROA-UHFFFAOYSA-N 1 2 302.765 2.908 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1cc(C#N)ccc1C(F)(F)F)C2 ZINC000373499776 303022871 /nfs/dbraw/zinc/02/28/71/303022871.db2.gz AFPQDQYZORYCGG-UHFFFAOYSA-N 1 2 306.291 2.873 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491480050 317577097 /nfs/dbraw/zinc/57/70/97/317577097.db2.gz VHFJLACSHYSIQV-XITLMJRVSA-N 1 2 306.369 2.701 20 30 DFEDLO Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C)c[nH+]1 ZINC000551897967 317860398 /nfs/dbraw/zinc/86/03/98/317860398.db2.gz CCTQPXUCFAJBGE-UHFFFAOYSA-N 1 2 320.274 2.658 20 30 DFEDLO Cc1ccc(F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000570505853 317968119 /nfs/dbraw/zinc/96/81/19/317968119.db2.gz OSXLUSFGPYHNMW-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1cc(NCCc2ccc(OC(F)F)cc2)c(C#N)c[nH+]1 ZINC000575175810 318068293 /nfs/dbraw/zinc/06/82/93/318068293.db2.gz SWRHZTGTZVOKPE-UHFFFAOYSA-N 1 2 303.312 2.940 20 30 DFEDLO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(O[C@H]2CCOC2)c1 ZINC000578620555 318273269 /nfs/dbraw/zinc/27/32/69/318273269.db2.gz KKHNGSOLINIOBL-KRWDZBQOSA-N 1 2 323.396 2.772 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580092442 318375772 /nfs/dbraw/zinc/37/57/72/318375772.db2.gz GYIFHRGLGNVZOC-AWEZNQCLSA-N 1 2 310.401 2.897 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580092442 318375773 /nfs/dbraw/zinc/37/57/73/318375773.db2.gz GYIFHRGLGNVZOC-AWEZNQCLSA-N 1 2 310.401 2.897 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000580164324 318379779 /nfs/dbraw/zinc/37/97/79/318379779.db2.gz DMXJSHTWSIAIPX-IUODEOHRSA-N 1 2 321.384 2.749 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000580164326 318380092 /nfs/dbraw/zinc/38/00/92/318380092.db2.gz DMXJSHTWSIAIPX-WFASDCNBSA-N 1 2 321.384 2.749 20 30 DFEDLO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000292690384 335092887 /nfs/dbraw/zinc/09/28/87/335092887.db2.gz FXMZCNCUKKHHTR-UHFFFAOYSA-N 1 2 310.344 2.669 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000292682040 335092962 /nfs/dbraw/zinc/09/29/62/335092962.db2.gz FAYULRYWTPHWSV-UHFFFAOYSA-N 1 2 316.449 2.511 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2[nH+]ccn21 ZINC000582709907 323721172 /nfs/dbraw/zinc/72/11/72/323721172.db2.gz IROBHAXGBNLEHT-NOZJJQNGSA-N 1 2 300.749 2.844 20 30 DFEDLO C=CCNC(=O)c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000170871223 332892135 /nfs/dbraw/zinc/89/21/35/332892135.db2.gz WZRJGKUZJGTNPW-UHFFFAOYSA-N 1 2 320.352 2.502 20 30 DFEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161614217 332914452 /nfs/dbraw/zinc/91/44/52/332914452.db2.gz IPXVDBURYCFIME-UHFFFAOYSA-N 1 2 305.809 2.534 20 30 DFEDLO CS(=O)(=O)c1cccc(C[NH+]2CCC(CCC#N)CC2)c1 ZINC000568389265 331776013 /nfs/dbraw/zinc/77/60/13/331776013.db2.gz AFUKTWUSIKGABN-UHFFFAOYSA-N 1 2 306.431 2.606 20 30 DFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000408113725 331822549 /nfs/dbraw/zinc/82/25/49/331822549.db2.gz YVTQBXHKEYOABX-MLGOLLRUSA-N 1 2 313.392 2.552 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000580090223 332934770 /nfs/dbraw/zinc/93/47/70/332934770.db2.gz OXVHARHNUAZOEC-IRXDYDNUSA-N 1 2 301.434 2.824 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093418593 332138503 /nfs/dbraw/zinc/13/85/03/332138503.db2.gz OGBCNPYGWYCWPG-GJZGRUSLSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093418593 332138504 /nfs/dbraw/zinc/13/85/04/332138504.db2.gz OGBCNPYGWYCWPG-GJZGRUSLSA-N 1 2 318.417 2.987 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000292988897 335099183 /nfs/dbraw/zinc/09/91/83/335099183.db2.gz MALSOHXYFYWJDM-UHFFFAOYSA-N 1 2 307.397 2.730 20 30 DFEDLO C=C(CC)C[N@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000358500869 332296491 /nfs/dbraw/zinc/29/64/91/332296491.db2.gz QYIMBEARHUQISR-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO C=C(CC)C[N@@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000358500869 332296493 /nfs/dbraw/zinc/29/64/93/332296493.db2.gz QYIMBEARHUQISR-UHFFFAOYSA-N 1 2 307.390 2.645 20 30 DFEDLO Cc1ccsc1CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250913 332302931 /nfs/dbraw/zinc/30/29/31/332302931.db2.gz UBQRMBUZQVDMIQ-UHFFFAOYSA-N 1 2 307.463 2.935 20 30 DFEDLO Cc1ccsc1CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250913 332302933 /nfs/dbraw/zinc/30/29/33/332302933.db2.gz UBQRMBUZQVDMIQ-UHFFFAOYSA-N 1 2 307.463 2.935 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000184967672 335100231 /nfs/dbraw/zinc/10/02/31/335100231.db2.gz ZQZWGDSXYCBPHP-CABCVRRESA-N 1 2 322.474 2.840 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(C#N)CCCCC1)C2 ZINC000112669214 332315485 /nfs/dbraw/zinc/31/54/85/332315485.db2.gz FOHOCWXOUZAGSR-UHFFFAOYSA-N 1 2 314.433 2.902 20 30 DFEDLO C#CCOc1ccccc1CN[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371087032 332327252 /nfs/dbraw/zinc/32/72/52/332327252.db2.gz KTAUEKGMSZLLOD-IBGZPJMESA-N 1 2 306.409 2.975 20 30 DFEDLO C#CCOc1ccccc1CN[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371087032 332327253 /nfs/dbraw/zinc/32/72/53/332327253.db2.gz KTAUEKGMSZLLOD-IBGZPJMESA-N 1 2 306.409 2.975 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000293244912 335102581 /nfs/dbraw/zinc/10/25/81/335102581.db2.gz SXEOHPFZXLUAPA-UHFFFAOYSA-N 1 2 301.415 2.604 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000293244912 335102583 /nfs/dbraw/zinc/10/25/83/335102583.db2.gz SXEOHPFZXLUAPA-UHFFFAOYSA-N 1 2 301.415 2.604 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119165258 332365939 /nfs/dbraw/zinc/36/59/39/332365939.db2.gz QDDRAYIESZSKBI-UHFFFAOYSA-N 1 2 322.478 2.741 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119165258 332365940 /nfs/dbraw/zinc/36/59/40/332365940.db2.gz QDDRAYIESZSKBI-UHFFFAOYSA-N 1 2 322.478 2.741 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000293293749 335103236 /nfs/dbraw/zinc/10/32/36/335103236.db2.gz YOPAMGPLYNDXMO-AWEZNQCLSA-N 1 2 302.422 2.562 20 30 DFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCCC2)CC1=O ZINC000119249730 332367855 /nfs/dbraw/zinc/36/78/55/332367855.db2.gz XFBPRSKHOOEGNS-UHFFFAOYSA-N 1 2 310.401 2.589 20 30 DFEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C#N)CC2)c1C ZINC000195314094 335108012 /nfs/dbraw/zinc/10/80/12/335108012.db2.gz MKBZMFAXHXIRGM-CQSZACIVSA-N 1 2 317.433 2.731 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000293427815 335106083 /nfs/dbraw/zinc/10/60/83/335106083.db2.gz AXSDVHWKAFXRAV-ZIAGYGMSSA-N 1 2 307.394 2.651 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000293427815 335106085 /nfs/dbraw/zinc/10/60/85/335106085.db2.gz AXSDVHWKAFXRAV-ZIAGYGMSSA-N 1 2 307.394 2.651 20 30 DFEDLO NC(=[NH+]OCCCCCCO)c1cccc(C(F)(F)F)c1 ZINC000134577361 332606199 /nfs/dbraw/zinc/60/61/99/332606199.db2.gz XXCMONIKLYOFDA-UHFFFAOYSA-N 1 2 304.312 2.895 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000171699790 333052409 /nfs/dbraw/zinc/05/24/09/333052409.db2.gz LZGOPWQPDVBFGC-GFCCVEGCSA-N 1 2 321.471 2.678 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000171699790 333052410 /nfs/dbraw/zinc/05/24/10/333052410.db2.gz LZGOPWQPDVBFGC-GFCCVEGCSA-N 1 2 321.471 2.678 20 30 DFEDLO CCNC(=O)COc1ccc([NH2+]CC(C)(C)CCC#N)cc1 ZINC000174289514 333084405 /nfs/dbraw/zinc/08/44/05/333084405.db2.gz RINXBBOWGXASAX-UHFFFAOYSA-N 1 2 303.406 2.943 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000491475264 333105833 /nfs/dbraw/zinc/10/58/33/333105833.db2.gz VEVVBHSCXDHIBL-JTQLQIEISA-N 1 2 320.190 2.953 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000491475264 333105835 /nfs/dbraw/zinc/10/58/35/333105835.db2.gz VEVVBHSCXDHIBL-JTQLQIEISA-N 1 2 320.190 2.953 20 30 DFEDLO N#CCN1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000180009740 333157259 /nfs/dbraw/zinc/15/72/59/333157259.db2.gz RKVICHKRBYESPB-UHFFFAOYSA-N 1 2 318.852 2.581 20 30 DFEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cs1 ZINC000184691401 333200670 /nfs/dbraw/zinc/20/06/70/333200670.db2.gz VBKPMYYIDBCZPB-GFCCVEGCSA-N 1 2 320.462 2.699 20 30 DFEDLO N#C[C@@H]1N(Cc2cn3ccccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000363919697 333202084 /nfs/dbraw/zinc/20/20/84/333202084.db2.gz AHRQFBJRAAYZFY-FUHWJXTLSA-N 1 2 310.401 2.762 20 30 DFEDLO N#C[C@H]1N(Cc2cn3ccccc3[nH+]2)CCC[C@@]12CCCCO2 ZINC000363919696 333202157 /nfs/dbraw/zinc/20/21/57/333202157.db2.gz AHRQFBJRAAYZFY-AEFFLSMTSA-N 1 2 310.401 2.762 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491777042 333202983 /nfs/dbraw/zinc/20/29/83/333202983.db2.gz GZZHLAALPPYMBZ-LLVKDONJSA-N 1 2 301.415 2.687 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491777042 333202985 /nfs/dbraw/zinc/20/29/85/333202985.db2.gz GZZHLAALPPYMBZ-LLVKDONJSA-N 1 2 301.415 2.687 20 30 DFEDLO CCc1nnc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)o1 ZINC000363933228 333203683 /nfs/dbraw/zinc/20/36/83/333203683.db2.gz GWXFXKXHAURFLZ-ZDUSSCGKSA-N 1 2 306.410 2.725 20 30 DFEDLO CCc1nnc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)o1 ZINC000363933228 333203685 /nfs/dbraw/zinc/20/36/85/333203685.db2.gz GWXFXKXHAURFLZ-ZDUSSCGKSA-N 1 2 306.410 2.725 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C#N)CC1 ZINC000195311465 333322371 /nfs/dbraw/zinc/32/23/71/333322371.db2.gz WKWMEGKAKSAYQC-CSLYMUCUSA-N 1 2 316.449 2.541 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364797120 333332083 /nfs/dbraw/zinc/33/20/83/333332083.db2.gz KJGLYHLBJNJYEQ-UHFFFAOYSA-N 1 2 314.202 2.641 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364797120 333332084 /nfs/dbraw/zinc/33/20/84/333332084.db2.gz KJGLYHLBJNJYEQ-UHFFFAOYSA-N 1 2 314.202 2.641 20 30 DFEDLO C=CC[C@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000185944597 333371457 /nfs/dbraw/zinc/37/14/57/333371457.db2.gz FTDNFAAFXSLOEW-OAHLLOKOSA-N 1 2 312.369 2.849 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000525886352 335141651 /nfs/dbraw/zinc/14/16/51/335141651.db2.gz DEAQOBACFZTKEW-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000525886352 335141652 /nfs/dbraw/zinc/14/16/52/335141652.db2.gz DEAQOBACFZTKEW-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)OCC ZINC000339492804 333526592 /nfs/dbraw/zinc/52/65/92/333526592.db2.gz FMBPQKSGTGRGQE-GJZGRUSLSA-N 1 2 305.422 2.556 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000413058002 333829175 /nfs/dbraw/zinc/82/91/75/333829175.db2.gz ZGEWKLNZHFIAIC-QGZVFWFLSA-N 1 2 324.428 2.980 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000413124235 333833448 /nfs/dbraw/zinc/83/34/48/333833448.db2.gz FJHMQVKBBCAXGO-RDJZCZTQSA-N 1 2 312.417 2.758 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000265145236 333963740 /nfs/dbraw/zinc/96/37/40/333963740.db2.gz OWPFRZSZHVKBMZ-QYCYQRASSA-N 1 2 318.417 2.857 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270735804 334015807 /nfs/dbraw/zinc/01/58/07/334015807.db2.gz VUCUVMBKIDIZTR-HUUCEWRRSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270735804 334015810 /nfs/dbraw/zinc/01/58/10/334015810.db2.gz VUCUVMBKIDIZTR-HUUCEWRRSA-N 1 2 319.355 2.520 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000272488914 334035434 /nfs/dbraw/zinc/03/54/34/334035434.db2.gz BWPZSZQHRGTWBS-UHFFFAOYSA-N 1 2 315.442 2.751 20 30 DFEDLO CC1(C#N)CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000272599247 334037893 /nfs/dbraw/zinc/03/78/93/334037893.db2.gz QQFKOVHJQOZTHE-INIZCTEOSA-N 1 2 315.392 2.947 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(CC#N)c3)n2)C1 ZINC000272617234 334038064 /nfs/dbraw/zinc/03/80/64/334038064.db2.gz IEWWSBBPOAKTON-HNNXBMFYSA-N 1 2 312.373 2.584 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(CC#N)c3)n2)C1 ZINC000272617234 334038066 /nfs/dbraw/zinc/03/80/66/334038066.db2.gz IEWWSBBPOAKTON-HNNXBMFYSA-N 1 2 312.373 2.584 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000343517813 335173990 /nfs/dbraw/zinc/17/39/90/335173990.db2.gz DQRCZZOPFQXOEC-INIZCTEOSA-N 1 2 316.445 2.993 20 30 DFEDLO N#CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000273171012 334043934 /nfs/dbraw/zinc/04/39/34/334043934.db2.gz DSSRMUSXXORLKZ-IAGOWNOFSA-N 1 2 323.400 2.715 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000273479665 334047956 /nfs/dbraw/zinc/04/79/56/334047956.db2.gz UDSDASIJWZRZBF-CQSZACIVSA-N 1 2 306.410 2.581 20 30 DFEDLO CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274386463 334060748 /nfs/dbraw/zinc/06/07/48/334060748.db2.gz ZMGXXBFEUULVGK-SFHVURJKSA-N 1 2 310.401 2.990 20 30 DFEDLO C[C@H](CC#N)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274791975 334066477 /nfs/dbraw/zinc/06/64/77/334066477.db2.gz OFXBFEWJNFNOPG-KGLIPLIRSA-N 1 2 316.405 2.503 20 30 DFEDLO Cc1nc(CCO[NH+]=C(N)COc2cccc(F)c2)cs1 ZINC000276667867 334084582 /nfs/dbraw/zinc/08/45/82/334084582.db2.gz DBLYRQRIEHLJDF-UHFFFAOYSA-N 1 2 309.366 2.501 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278810210 334101806 /nfs/dbraw/zinc/10/18/06/334101806.db2.gz HJBRZJJGHKAKFJ-KGLIPLIRSA-N 1 2 302.353 2.507 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278810210 334101808 /nfs/dbraw/zinc/10/18/08/334101808.db2.gz HJBRZJJGHKAKFJ-KGLIPLIRSA-N 1 2 302.353 2.507 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279789347 334111834 /nfs/dbraw/zinc/11/18/34/334111834.db2.gz GCQBILDGOBNNTN-UHFFFAOYSA-N 1 2 310.401 2.847 20 30 DFEDLO CSc1ccc(CC/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000281757734 334128245 /nfs/dbraw/zinc/12/82/45/334128245.db2.gz KDBNKDRFKYXZKA-VCHYOVAHSA-N 1 2 316.426 2.971 20 30 DFEDLO NC(=[NH+]OCc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000284010559 334142103 /nfs/dbraw/zinc/14/21/03/334142103.db2.gz HSJAMQYALGFJSZ-ZDUSSCGKSA-N 1 2 321.377 2.917 20 30 DFEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000284016610 334142148 /nfs/dbraw/zinc/14/21/48/334142148.db2.gz HWFCKFPLZUPOKV-WCQYABFASA-N 1 2 301.346 2.870 20 30 DFEDLO Cn1c(Cl)cnc1CNc1[nH+]cccc1OCCCC#N ZINC000283996341 334142173 /nfs/dbraw/zinc/14/21/73/334142173.db2.gz JRJRONQUBBILSA-UHFFFAOYSA-N 1 2 305.769 2.763 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570448 335178491 /nfs/dbraw/zinc/17/84/91/335178491.db2.gz MYRBEHVFGAPIRT-CQSZACIVSA-N 1 2 324.388 2.708 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)on1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570448 335178493 /nfs/dbraw/zinc/17/84/93/335178493.db2.gz MYRBEHVFGAPIRT-CQSZACIVSA-N 1 2 324.388 2.708 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000285244477 334146459 /nfs/dbraw/zinc/14/64/59/334146459.db2.gz WGXTWRWJYBIYMX-SFHVURJKSA-N 1 2 314.433 2.874 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286158528 334151410 /nfs/dbraw/zinc/15/14/10/334151410.db2.gz ZTZPNPHHGHYXBU-KDOFPFPSSA-N 1 2 314.433 2.865 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000343581716 335179024 /nfs/dbraw/zinc/17/90/24/335179024.db2.gz NHNAYAAQTADSHZ-GFCCVEGCSA-N 1 2 311.307 2.857 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000343581716 335179026 /nfs/dbraw/zinc/17/90/26/335179026.db2.gz NHNAYAAQTADSHZ-GFCCVEGCSA-N 1 2 311.307 2.857 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287110936 334156289 /nfs/dbraw/zinc/15/62/89/334156289.db2.gz YLFPIPODIYCSJM-HNNXBMFYSA-N 1 2 305.447 2.893 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287110936 334156291 /nfs/dbraw/zinc/15/62/91/334156291.db2.gz YLFPIPODIYCSJM-HNNXBMFYSA-N 1 2 305.447 2.893 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000289394171 334164774 /nfs/dbraw/zinc/16/47/74/334164774.db2.gz RGUOITUSLCIKPN-MRXNPFEDSA-N 1 2 316.401 2.755 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000292091881 334184438 /nfs/dbraw/zinc/18/44/38/334184438.db2.gz FOHXZRLVBCFCQP-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000292091881 334184439 /nfs/dbraw/zinc/18/44/39/334184439.db2.gz FOHXZRLVBCFCQP-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000292267308 334186174 /nfs/dbraw/zinc/18/61/74/334186174.db2.gz RVQGLPYNSGJGID-MRXNPFEDSA-N 1 2 308.809 2.619 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000292267308 334186175 /nfs/dbraw/zinc/18/61/75/334186175.db2.gz RVQGLPYNSGJGID-MRXNPFEDSA-N 1 2 308.809 2.619 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C(C)C ZINC000292392847 334187587 /nfs/dbraw/zinc/18/75/87/334187587.db2.gz ZVPXSQVIQJFIJW-INIZCTEOSA-N 1 2 302.418 2.951 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C(C)C ZINC000292392847 334187588 /nfs/dbraw/zinc/18/75/88/334187588.db2.gz ZVPXSQVIQJFIJW-INIZCTEOSA-N 1 2 302.418 2.951 20 30 DFEDLO CC1(C)C[C@@]1(C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000292478976 334188571 /nfs/dbraw/zinc/18/85/71/334188571.db2.gz NHYUBFVPLKEOLT-MOTZXUDYSA-N 1 2 306.369 2.694 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000292702819 334190982 /nfs/dbraw/zinc/19/09/82/334190982.db2.gz CMRMFNBLCUFPMN-UHFFFAOYSA-N 1 2 314.385 2.912 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000292702819 334190983 /nfs/dbraw/zinc/19/09/83/334190983.db2.gz CMRMFNBLCUFPMN-UHFFFAOYSA-N 1 2 314.385 2.912 20 30 DFEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292754980 334191961 /nfs/dbraw/zinc/19/19/61/334191961.db2.gz IKIMNNGLKSHGCU-INIZCTEOSA-N 1 2 302.349 2.738 20 30 DFEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292754980 334191962 /nfs/dbraw/zinc/19/19/62/334191962.db2.gz IKIMNNGLKSHGCU-INIZCTEOSA-N 1 2 302.349 2.738 20 30 DFEDLO C[N@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000292898961 334194021 /nfs/dbraw/zinc/19/40/21/334194021.db2.gz VVSIEHDVWLAAKZ-CYBMUJFWSA-N 1 2 315.186 2.641 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000292898961 334194023 /nfs/dbraw/zinc/19/40/23/334194023.db2.gz VVSIEHDVWLAAKZ-CYBMUJFWSA-N 1 2 315.186 2.641 20 30 DFEDLO CC#CC[N@@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000293247834 334196682 /nfs/dbraw/zinc/19/66/82/334196682.db2.gz TVANOMLYOJXINI-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO CC#CC[N@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000293247834 334196684 /nfs/dbraw/zinc/19/66/84/334196684.db2.gz TVANOMLYOJXINI-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO N#CC1CCC(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000294425678 334209688 /nfs/dbraw/zinc/20/96/88/334209688.db2.gz UNRWSNXSNLWAAC-ZUEPYMLJSA-N 1 2 313.380 2.953 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000298687869 334250676 /nfs/dbraw/zinc/25/06/76/334250676.db2.gz ABEWSVMBBRIINR-CXAGYDPISA-N 1 2 305.397 2.873 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000298687869 334250677 /nfs/dbraw/zinc/25/06/77/334250677.db2.gz ABEWSVMBBRIINR-CXAGYDPISA-N 1 2 305.397 2.873 20 30 DFEDLO Oc1cccc(/C=N/c2ccccc2C[NH+]2CCOCC2)c1O ZINC000298757751 334251326 /nfs/dbraw/zinc/25/13/26/334251326.db2.gz BKHOMNJBNYKSJJ-XDHOZWIPSA-N 1 2 312.369 2.681 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120312389 334315453 /nfs/dbraw/zinc/31/54/53/334315453.db2.gz CYNGWXKSAMGEAL-ZDUSSCGKSA-N 1 2 309.841 2.699 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120312389 334315455 /nfs/dbraw/zinc/31/54/55/334315455.db2.gz CYNGWXKSAMGEAL-ZDUSSCGKSA-N 1 2 309.841 2.699 20 30 DFEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000121330762 334343767 /nfs/dbraw/zinc/34/37/67/334343767.db2.gz NUJSQCOUKVAMRU-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000121330762 334343768 /nfs/dbraw/zinc/34/37/68/334343768.db2.gz NUJSQCOUKVAMRU-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340816261 334387496 /nfs/dbraw/zinc/38/74/96/334387496.db2.gz HLUQOXAUPBAXAP-GFCCVEGCSA-N 1 2 311.341 2.503 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C2CCC2)n1C ZINC000340858456 334390695 /nfs/dbraw/zinc/39/06/95/334390695.db2.gz YYBMRCTZKKJTQJ-UHFFFAOYSA-N 1 2 300.406 2.906 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C2CCC2)n1C ZINC000340858456 334390696 /nfs/dbraw/zinc/39/06/96/334390696.db2.gz YYBMRCTZKKJTQJ-UHFFFAOYSA-N 1 2 300.406 2.906 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000342677926 334559985 /nfs/dbraw/zinc/55/99/85/334559985.db2.gz MKYVSCGIHKCNQJ-ABAIWWIYSA-N 1 2 302.328 2.932 20 30 DFEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000342695144 334562215 /nfs/dbraw/zinc/56/22/15/334562215.db2.gz OUAQOMVVYLJUMY-UHFFFAOYSA-N 1 2 319.408 2.711 20 30 DFEDLO C=CCN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316689 334736755 /nfs/dbraw/zinc/73/67/55/334736755.db2.gz QIVBQGCSXPUAHE-MRXNPFEDSA-N 1 2 308.385 2.860 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1nccs1)CCC2 ZINC000328641796 334745439 /nfs/dbraw/zinc/74/54/39/334745439.db2.gz DLOGLFZDWSMEMJ-GFCCVEGCSA-N 1 2 319.434 2.571 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1C[C@@H]2CCCC[C@H]2C1 ZINC000328600984 334747895 /nfs/dbraw/zinc/74/78/95/334747895.db2.gz DSIDWMBUKQFDIB-KKUMJFAQSA-N 1 2 302.422 2.797 20 30 DFEDLO CC(C)c1cc(C(=O)NCc2[nH+]ccn2C)nn1C(C)(C)C ZINC000330514218 334786187 /nfs/dbraw/zinc/78/61/87/334786187.db2.gz DLLGFUWZNPIJAH-UHFFFAOYSA-N 1 2 303.410 3.000 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)C(C)(C)CO)cc2n1C ZINC000331045647 334831608 /nfs/dbraw/zinc/83/16/08/334831608.db2.gz GGGJBBZFALZPHV-UHFFFAOYSA-N 1 2 303.406 2.983 20 30 DFEDLO CCO[C@H]1C[C@]([NH2+]CCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000189874610 334914836 /nfs/dbraw/zinc/91/48/36/334914836.db2.gz XVNHRKCKLZMWQB-GUYCJALGSA-N 1 2 310.438 2.653 20 30 DFEDLO N#CCc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000343757166 335191024 /nfs/dbraw/zinc/19/10/24/335191024.db2.gz NJGIUBAJLQRQAB-INIZCTEOSA-N 1 2 302.324 2.854 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000345767221 335350091 /nfs/dbraw/zinc/35/00/91/335350091.db2.gz QMFQVGHMKRSKEA-QGZVFWFLSA-N 1 2 318.380 2.820 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1OC(F)F ZINC000347695901 335521895 /nfs/dbraw/zinc/52/18/95/335521895.db2.gz AXOXCMHPJIUHNK-SDDRHHMPSA-N 1 2 323.343 2.897 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000348699942 335603114 /nfs/dbraw/zinc/60/31/14/335603114.db2.gz AXGVIQXAOMNAFJ-UHFFFAOYSA-N 1 2 302.328 2.839 20 30 DFEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(OC)c1OC ZINC000348717587 335604664 /nfs/dbraw/zinc/60/46/64/335604664.db2.gz UTZGLZSMMWPNJE-UHFFFAOYSA-N 1 2 308.353 2.540 20 30 DFEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065176 335622888 /nfs/dbraw/zinc/62/28/88/335622888.db2.gz HFAWJVGYKZWNGE-HNNXBMFYSA-N 1 2 315.417 2.671 20 30 DFEDLO Cc1ccn2cc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)nc2c1 ZINC000329427876 335975193 /nfs/dbraw/zinc/97/51/93/335975193.db2.gz HMWSLCXXUPDSRT-ZDUSSCGKSA-N 1 2 309.373 2.558 20 30 DFEDLO Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329645824 336026273 /nfs/dbraw/zinc/02/62/73/336026273.db2.gz DLZOJHRFVRCVIB-HUUCEWRRSA-N 1 2 324.428 2.979 20 30 DFEDLO Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329645824 336026274 /nfs/dbraw/zinc/02/62/74/336026274.db2.gz DLZOJHRFVRCVIB-HUUCEWRRSA-N 1 2 324.428 2.979 20 30 DFEDLO Cc1cccc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)c1 ZINC000329648808 336026628 /nfs/dbraw/zinc/02/66/28/336026628.db2.gz FEIPHSHKFLQPHP-CVEARBPZSA-N 1 2 324.428 2.979 20 30 DFEDLO Cc1cccc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000329648808 336026630 /nfs/dbraw/zinc/02/66/30/336026630.db2.gz FEIPHSHKFLQPHP-CVEARBPZSA-N 1 2 324.428 2.979 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCCS1 ZINC000329656280 336029142 /nfs/dbraw/zinc/02/91/42/336029142.db2.gz MNTRCLPAKKLFAB-CYBMUJFWSA-N 1 2 308.451 2.509 20 30 DFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329697504 336052790 /nfs/dbraw/zinc/05/27/90/336052790.db2.gz YKIPMEHPVPLPSW-PVAVHDDUSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329697504 336052791 /nfs/dbraw/zinc/05/27/91/336052791.db2.gz YKIPMEHPVPLPSW-PVAVHDDUSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329764717 336079195 /nfs/dbraw/zinc/07/91/95/336079195.db2.gz WAXBEUHZJSPKDW-KFWWJZLASA-N 1 2 320.437 2.708 20 30 DFEDLO Cc1csc(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)n1 ZINC000329775427 336080516 /nfs/dbraw/zinc/08/05/16/336080516.db2.gz MZSHNISJKBDEER-UHFFFAOYSA-N 1 2 309.435 2.931 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@H]1CCOC1)C2 ZINC000329799596 336083415 /nfs/dbraw/zinc/08/34/15/336083415.db2.gz XYESLOIZIPZKOJ-OLZOCXBDSA-N 1 2 305.422 2.879 20 30 DFEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCn2cc[nH+]c2C1 ZINC000329852586 336089605 /nfs/dbraw/zinc/08/96/05/336089605.db2.gz RNYSRFRARAUWIE-RRFJBIMHSA-N 1 2 302.422 2.972 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329898900 336093355 /nfs/dbraw/zinc/09/33/55/336093355.db2.gz MPBOKWFGZQQGRJ-MEDUHNTESA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329898900 336093356 /nfs/dbraw/zinc/09/33/56/336093356.db2.gz MPBOKWFGZQQGRJ-MEDUHNTESA-N 1 2 318.373 2.503 20 30 DFEDLO COC1CCN(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000329926557 336096253 /nfs/dbraw/zinc/09/62/53/336096253.db2.gz WHRZHUHHTOGLCQ-UHFFFAOYSA-N 1 2 314.389 2.602 20 30 DFEDLO CCC[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329957358 336099619 /nfs/dbraw/zinc/09/96/19/336099619.db2.gz PKAHDTBGWUEDIX-HUUCEWRRSA-N 1 2 304.438 2.872 20 30 DFEDLO Cc1cnc([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)o1 ZINC000329997496 336104313 /nfs/dbraw/zinc/10/43/13/336104313.db2.gz QQSLHKLCXPDGEF-LLVKDONJSA-N 1 2 317.393 2.818 20 30 DFEDLO CC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000330021591 336106706 /nfs/dbraw/zinc/10/67/06/336106706.db2.gz YBNVTDNNJHBIMH-JYJNAYRXSA-N 1 2 310.438 2.544 20 30 DFEDLO CC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000330021591 336106708 /nfs/dbraw/zinc/10/67/08/336106708.db2.gz YBNVTDNNJHBIMH-JYJNAYRXSA-N 1 2 310.438 2.544 20 30 DFEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330074242 336111402 /nfs/dbraw/zinc/11/14/02/336111402.db2.gz LAHZHJKGPSNOOM-KBMXLJTQSA-N 1 2 305.422 2.996 20 30 DFEDLO COC1(CC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330114823 336114644 /nfs/dbraw/zinc/11/46/44/336114644.db2.gz TTXYGEMVAUBWPX-OCCSQVGLSA-N 1 2 307.394 2.556 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330128295 336116264 /nfs/dbraw/zinc/11/62/64/336116264.db2.gz NLZFXOFVZRRILI-RKVPGOIHSA-N 1 2 324.465 2.934 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330128295 336116265 /nfs/dbraw/zinc/11/62/65/336116265.db2.gz NLZFXOFVZRRILI-RKVPGOIHSA-N 1 2 324.465 2.934 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330167393 336120149 /nfs/dbraw/zinc/12/01/49/336120149.db2.gz YYIMRJRFYMKXKF-BVIKNXMNSA-N 1 2 324.465 2.792 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330167393 336120150 /nfs/dbraw/zinc/12/01/50/336120150.db2.gz YYIMRJRFYMKXKF-BVIKNXMNSA-N 1 2 324.465 2.792 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCC1 ZINC000330182281 336121638 /nfs/dbraw/zinc/12/16/38/336121638.db2.gz HEIWAAXXIAQRRX-CABCVRRESA-N 1 2 302.422 2.767 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCC1 ZINC000330182281 336121639 /nfs/dbraw/zinc/12/16/39/336121639.db2.gz HEIWAAXXIAQRRX-CABCVRRESA-N 1 2 302.422 2.767 20 30 DFEDLO CCS[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330185635 336121942 /nfs/dbraw/zinc/12/19/42/336121942.db2.gz JFPYOCOALSHPHY-HZSPNIEDSA-N 1 2 322.478 2.766 20 30 DFEDLO CCS[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330185635 336121944 /nfs/dbraw/zinc/12/19/44/336121944.db2.gz JFPYOCOALSHPHY-HZSPNIEDSA-N 1 2 322.478 2.766 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000330191881 336122542 /nfs/dbraw/zinc/12/25/42/336122542.db2.gz NJARBJVYRULXBV-FRFSOERESA-N 1 2 310.401 2.805 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCCCC(F)(F)C1)N1CCn2cc[nH+]c2C1 ZINC000330192350 336122577 /nfs/dbraw/zinc/12/25/77/336122577.db2.gz NSFUJVNZILODGU-GFCCVEGCSA-N 1 2 312.364 2.828 20 30 DFEDLO CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199454 336123585 /nfs/dbraw/zinc/12/35/85/336123585.db2.gz VLPXCFKLVGPYDT-QLFBSQMISA-N 1 2 304.438 2.916 20 30 DFEDLO CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199454 336123587 /nfs/dbraw/zinc/12/35/87/336123587.db2.gz VLPXCFKLVGPYDT-QLFBSQMISA-N 1 2 304.438 2.916 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2Cl ZINC000330275085 336132542 /nfs/dbraw/zinc/13/25/42/336132542.db2.gz LARULOPIWWKVQK-LLVKDONJSA-N 1 2 316.792 2.828 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330278244 336132804 /nfs/dbraw/zinc/13/28/04/336132804.db2.gz PJIZXYNNGAQWRY-ZIAGYGMSSA-N 1 2 322.478 2.720 20 30 DFEDLO CCS[C@@H]1CCCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330278244 336132806 /nfs/dbraw/zinc/13/28/06/336132806.db2.gz PJIZXYNNGAQWRY-ZIAGYGMSSA-N 1 2 322.478 2.720 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000332167747 336161162 /nfs/dbraw/zinc/16/11/62/336161162.db2.gz KIXSDVOURQBEDL-NHYWBVRUSA-N 1 2 301.781 2.703 20 30 DFEDLO Cn1c(C[NH2+][C@H]2CCC[C@@H]2C#N)nnc1-c1ccc(Cl)cc1 ZINC000332224918 336163939 /nfs/dbraw/zinc/16/39/39/336163939.db2.gz ZKWKNRZWNDOSJV-OCCSQVGLSA-N 1 2 315.808 2.917 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332240232 336164508 /nfs/dbraw/zinc/16/45/08/336164508.db2.gz IQRJOGMOTVRAAD-CQSZACIVSA-N 1 2 315.373 2.524 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332240232 336164509 /nfs/dbraw/zinc/16/45/09/336164509.db2.gz IQRJOGMOTVRAAD-CQSZACIVSA-N 1 2 315.373 2.524 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCCC1 ZINC000330332190 336166834 /nfs/dbraw/zinc/16/68/34/336166834.db2.gz ORYWOEAEZZJTMX-JGGQBBKZSA-N 1 2 320.437 2.723 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000352167612 336198621 /nfs/dbraw/zinc/19/86/21/336198621.db2.gz RNMWKEZENJAGLK-SJORKVTESA-N 1 2 322.412 2.997 20 30 DFEDLO C[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000333577739 336206252 /nfs/dbraw/zinc/20/62/52/336206252.db2.gz QTVOREUNNLWREM-IIDMSEBBSA-N 1 2 312.417 2.767 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846814 336210940 /nfs/dbraw/zinc/21/09/40/336210940.db2.gz OMFDJPSGLROGKT-GUYCJALGSA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846814 336210941 /nfs/dbraw/zinc/21/09/41/336210941.db2.gz OMFDJPSGLROGKT-GUYCJALGSA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846815 336210969 /nfs/dbraw/zinc/21/09/69/336210969.db2.gz OMFDJPSGLROGKT-SUMWQHHRSA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846815 336210970 /nfs/dbraw/zinc/21/09/70/336210970.db2.gz OMFDJPSGLROGKT-SUMWQHHRSA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846811 336210976 /nfs/dbraw/zinc/21/09/76/336210976.db2.gz OMFDJPSGLROGKT-CXAGYDPISA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846811 336210977 /nfs/dbraw/zinc/21/09/77/336210977.db2.gz OMFDJPSGLROGKT-CXAGYDPISA-N 1 2 316.405 2.577 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)CC(C)(C)C#N ZINC000353271900 336216370 /nfs/dbraw/zinc/21/63/70/336216370.db2.gz IMWKIJRZXHTSTB-UHFFFAOYSA-N 1 2 320.343 2.631 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448235 336219683 /nfs/dbraw/zinc/21/96/83/336219683.db2.gz FWBXBDGZNIQETL-ZIAGYGMSSA-N 1 2 315.392 2.680 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458714 336220443 /nfs/dbraw/zinc/22/04/43/336220443.db2.gz OCMWZQCPYKURKC-AWEZNQCLSA-N 1 2 303.381 2.534 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352461985 336220591 /nfs/dbraw/zinc/22/05/91/336220591.db2.gz APURSDBDYHEUFL-ZDUSSCGKSA-N 1 2 321.371 2.673 20 30 DFEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000352464764 336220697 /nfs/dbraw/zinc/22/06/97/336220697.db2.gz WWBMXLYRBKUSBC-OAHLLOKOSA-N 1 2 301.365 2.510 20 30 DFEDLO CC1CCC(N(C(=O)C[NH+]2CCC(F)(C#N)CC2)C2CC2)CC1 ZINC000352468318 336220906 /nfs/dbraw/zinc/22/09/06/336220906.db2.gz QWDZCVPOJNEZJK-UHFFFAOYSA-N 1 2 321.440 2.884 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482041 336221293 /nfs/dbraw/zinc/22/12/93/336221293.db2.gz GQESIPJFUGZAKN-OAHLLOKOSA-N 1 2 317.408 2.751 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483226 336221410 /nfs/dbraw/zinc/22/14/10/336221410.db2.gz HTRGQQTVPVAJOO-QPSCCSFWSA-N 1 2 309.429 2.643 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccn1 ZINC000352815945 336250193 /nfs/dbraw/zinc/25/01/93/336250193.db2.gz MIEIXHUEZYENTN-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccn1 ZINC000352815945 336250194 /nfs/dbraw/zinc/25/01/94/336250194.db2.gz MIEIXHUEZYENTN-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(OC)cc[nH+]1 ZINC000352815945 336250195 /nfs/dbraw/zinc/25/01/95/336250195.db2.gz MIEIXHUEZYENTN-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C#CC[NH+]1CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC1 ZINC000302796991 336369500 /nfs/dbraw/zinc/36/95/00/336369500.db2.gz QOLQRMDYPRQADD-UHFFFAOYSA-N 1 2 300.450 2.653 20 30 DFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 ZINC000525893922 336382823 /nfs/dbraw/zinc/38/28/23/336382823.db2.gz WKRPWUJQPPLQQR-NSHDSACASA-N 1 2 320.462 2.654 20 30 DFEDLO C=CCSCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000353498232 336420776 /nfs/dbraw/zinc/42/07/76/336420776.db2.gz ULJUIVFONSJCRF-UHFFFAOYSA-N 1 2 315.442 2.509 20 30 DFEDLO CC1(C#N)CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000355582812 336515116 /nfs/dbraw/zinc/51/51/16/336515116.db2.gz JTLWMVKUEKGLFZ-UHFFFAOYSA-N 1 2 318.384 2.946 20 30 DFEDLO Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000355622781 336516691 /nfs/dbraw/zinc/51/66/91/336516691.db2.gz MPUSUYHKZIJBOX-KRWDZBQOSA-N 1 2 317.389 2.899 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCCCCC#N)c1 ZINC000362325488 336792250 /nfs/dbraw/zinc/79/22/50/336792250.db2.gz IQNHUAWRNJBNSW-UHFFFAOYSA-N 1 2 311.389 2.580 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000362543201 336803319 /nfs/dbraw/zinc/80/33/19/336803319.db2.gz OWCZNHQLDOEKHW-BXUZGUMPSA-N 1 2 302.353 2.522 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)c1 ZINC000368517949 336846515 /nfs/dbraw/zinc/84/65/15/336846515.db2.gz FVTZRDPFVQHVBH-FQEVSTJZSA-N 1 2 320.392 2.846 20 30 DFEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204998 336860553 /nfs/dbraw/zinc/86/05/53/336860553.db2.gz HQVHZETUNFOAGT-HNNXBMFYSA-N 1 2 315.417 2.671 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369567802 336867509 /nfs/dbraw/zinc/86/75/09/336867509.db2.gz GRHLOMBBVHHRHV-HUUCEWRRSA-N 1 2 320.437 2.533 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000371615787 336909159 /nfs/dbraw/zinc/90/91/59/336909159.db2.gz YEVPQXMGQQUKEJ-KDOFPFPSSA-N 1 2 322.412 2.878 20 30 DFEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000373211482 336952851 /nfs/dbraw/zinc/95/28/51/336952851.db2.gz LUKFNCWHLQRMQF-OAHLLOKOSA-N 1 2 304.353 2.986 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1)C(C)C ZINC000374166402 336982850 /nfs/dbraw/zinc/98/28/50/336982850.db2.gz WNPXFZZLJLCOOI-FUHWJXTLSA-N 1 2 321.424 2.887 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722936 337034162 /nfs/dbraw/zinc/03/41/62/337034162.db2.gz KNQDQQVPCXTIRR-CVEARBPZSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722936 337034163 /nfs/dbraw/zinc/03/41/63/337034163.db2.gz KNQDQQVPCXTIRR-CVEARBPZSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722936 337034164 /nfs/dbraw/zinc/03/41/64/337034164.db2.gz KNQDQQVPCXTIRR-CVEARBPZSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722936 337034165 /nfs/dbraw/zinc/03/41/65/337034165.db2.gz KNQDQQVPCXTIRR-CVEARBPZSA-N 1 2 312.417 2.936 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000123269707 337041731 /nfs/dbraw/zinc/04/17/31/337041731.db2.gz YPZICWCEGFFHMA-HNNXBMFYSA-N 1 2 323.845 2.672 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000123269707 337041732 /nfs/dbraw/zinc/04/17/32/337041732.db2.gz YPZICWCEGFFHMA-HNNXBMFYSA-N 1 2 323.845 2.672 20 30 DFEDLO CC#CCCCC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000376882127 337043212 /nfs/dbraw/zinc/04/32/12/337043212.db2.gz NSAMPBURSPVGSK-UHFFFAOYSA-N 1 2 324.428 2.842 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376920902 337043665 /nfs/dbraw/zinc/04/36/65/337043665.db2.gz BICQKOBEQICLJE-CVEARBPZSA-N 1 2 322.412 2.921 20 30 DFEDLO COCCC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCCC1 ZINC000377009433 337045306 /nfs/dbraw/zinc/04/53/06/337045306.db2.gz HZMFDTXVHGYLOT-KRWDZBQOSA-N 1 2 305.466 2.646 20 30 DFEDLO COCCC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCCC1 ZINC000377009433 337045307 /nfs/dbraw/zinc/04/53/07/337045307.db2.gz HZMFDTXVHGYLOT-KRWDZBQOSA-N 1 2 305.466 2.646 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000377387925 337051541 /nfs/dbraw/zinc/05/15/41/337051541.db2.gz CCVGQLBGDSCVLA-UONOGXRCSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000377387925 337051542 /nfs/dbraw/zinc/05/15/42/337051542.db2.gz CCVGQLBGDSCVLA-UONOGXRCSA-N 1 2 305.447 2.869 20 30 DFEDLO C#CC[C@@H](NC(=O)N1CCn2c(C)c(C)[nH+]c2C1)c1ccccc1 ZINC000378275521 337069194 /nfs/dbraw/zinc/06/91/94/337069194.db2.gz HRPSDRZDLWDUAW-QGZVFWFLSA-N 1 2 322.412 2.790 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000378351239 337070872 /nfs/dbraw/zinc/07/08/72/337070872.db2.gz SBFSJDNUSPKIKY-ZDUSSCGKSA-N 1 2 310.401 2.807 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000175584868 337147707 /nfs/dbraw/zinc/14/77/07/337147707.db2.gz LXLSLLYUKPAHQG-UHFFFAOYSA-N 1 2 307.463 2.842 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000175584868 337147708 /nfs/dbraw/zinc/14/77/08/337147708.db2.gz LXLSLLYUKPAHQG-UHFFFAOYSA-N 1 2 307.463 2.842 20 30 DFEDLO C=CCOc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178070425 337160369 /nfs/dbraw/zinc/16/03/69/337160369.db2.gz MJXLOCKYVWFPFC-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000182260140 337187698 /nfs/dbraw/zinc/18/76/98/337187698.db2.gz MARNAFOVXJKAIE-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190501379 337288741 /nfs/dbraw/zinc/28/87/41/337288741.db2.gz ZLCBUOLCCZEZPF-CYBMUJFWSA-N 1 2 302.353 2.507 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191090084 337293820 /nfs/dbraw/zinc/29/38/20/337293820.db2.gz GWRSZBIJZNEEHP-AWEZNQCLSA-N 1 2 313.401 2.696 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191090084 337293821 /nfs/dbraw/zinc/29/38/21/337293821.db2.gz GWRSZBIJZNEEHP-AWEZNQCLSA-N 1 2 313.401 2.696 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191091518 337293851 /nfs/dbraw/zinc/29/38/51/337293851.db2.gz XZECUTBVEKTVSU-UHFFFAOYSA-N 1 2 311.429 2.995 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191091518 337293852 /nfs/dbraw/zinc/29/38/52/337293852.db2.gz XZECUTBVEKTVSU-UHFFFAOYSA-N 1 2 311.429 2.995 20 30 DFEDLO FC(F)C(F)(F)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192026851 337302084 /nfs/dbraw/zinc/30/20/84/337302084.db2.gz WPVJEMWCOFLZSV-UHFFFAOYSA-N 1 2 314.326 2.556 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000039964981 337397217 /nfs/dbraw/zinc/39/72/17/337397217.db2.gz PPCMJFCNYCTORD-UHFFFAOYSA-N 1 2 322.430 2.846 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC#N)CC1 ZINC000527486211 337744567 /nfs/dbraw/zinc/74/45/67/337744567.db2.gz SUCHYSHEDWFCCZ-ZDUSSCGKSA-N 1 2 306.431 2.777 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000424136469 337756188 /nfs/dbraw/zinc/75/61/88/337756188.db2.gz KQINBRUUEOJYNT-AEGPPILISA-N 1 2 309.793 2.735 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@H]2CC)c1 ZINC000428432442 338051140 /nfs/dbraw/zinc/05/11/40/338051140.db2.gz PWZWTIKFCHNONM-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCN(CC)C(=O)[C@H]2CC)c1 ZINC000428432442 338051141 /nfs/dbraw/zinc/05/11/41/338051141.db2.gz PWZWTIKFCHNONM-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO COCc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)no1 ZINC000433030423 338177347 /nfs/dbraw/zinc/17/73/47/338177347.db2.gz WAIOXIFELVKBBN-AWEZNQCLSA-N 1 2 300.362 2.741 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000433291373 338189540 /nfs/dbraw/zinc/18/95/40/338189540.db2.gz VUAVURWRIOUSNE-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000433291373 338189541 /nfs/dbraw/zinc/18/95/41/338189541.db2.gz VUAVURWRIOUSNE-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000433296385 338190001 /nfs/dbraw/zinc/19/00/01/338190001.db2.gz HTUQVXSBSKYVHE-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000433296385 338190002 /nfs/dbraw/zinc/19/00/02/338190002.db2.gz HTUQVXSBSKYVHE-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C2CC2)cc1 ZINC000433306764 338190804 /nfs/dbraw/zinc/19/08/04/338190804.db2.gz TUBJJBHKLGEZJB-UHFFFAOYSA-N 1 2 313.445 2.968 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C2CC2)cc1 ZINC000433306764 338190805 /nfs/dbraw/zinc/19/08/05/338190805.db2.gz TUBJJBHKLGEZJB-UHFFFAOYSA-N 1 2 313.445 2.968 20 30 DFEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433317428 338191892 /nfs/dbraw/zinc/19/18/92/338191892.db2.gz LAPSTOKSCOQPIA-GFCCVEGCSA-N 1 2 319.405 2.512 20 30 DFEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433317428 338191893 /nfs/dbraw/zinc/19/18/93/338191893.db2.gz LAPSTOKSCOQPIA-GFCCVEGCSA-N 1 2 319.405 2.512 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000433324003 338192475 /nfs/dbraw/zinc/19/24/75/338192475.db2.gz AWAPKTXFPPJKPE-OAHLLOKOSA-N 1 2 303.381 2.803 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000433324003 338192476 /nfs/dbraw/zinc/19/24/76/338192476.db2.gz AWAPKTXFPPJKPE-OAHLLOKOSA-N 1 2 303.381 2.803 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c1 ZINC000438332808 338339872 /nfs/dbraw/zinc/33/98/72/338339872.db2.gz FLQUJIDKHDAXOP-QGZVFWFLSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)c1 ZINC000438332808 338339873 /nfs/dbraw/zinc/33/98/73/338339873.db2.gz FLQUJIDKHDAXOP-QGZVFWFLSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CC[C@@H]1[N@@H+](Cc2nnn(CC(F)(F)F)n2)CCCC1(C)C ZINC000440527722 338389204 /nfs/dbraw/zinc/38/92/04/338389204.db2.gz BWSRLBFQMCXZKZ-NSHDSACASA-N 1 2 317.359 2.802 20 30 DFEDLO C=CC[C@@H]1[N@H+](Cc2nnn(CC(F)(F)F)n2)CCCC1(C)C ZINC000440527722 338389205 /nfs/dbraw/zinc/38/92/05/338389205.db2.gz BWSRLBFQMCXZKZ-NSHDSACASA-N 1 2 317.359 2.802 20 30 DFEDLO COC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC)cc1 ZINC000449259088 338607597 /nfs/dbraw/zinc/60/75/97/338607597.db2.gz PQEYISKQFQESPX-BFHRDPOASA-N 1 2 316.401 2.971 20 30 DFEDLO C=CCC[C@@H](NCc1c[nH+]c2ccc(Cl)cn12)C(=O)OCC ZINC000449656199 338644572 /nfs/dbraw/zinc/64/45/72/338644572.db2.gz JPZZYZFTZUCXOB-CQSZACIVSA-N 1 2 321.808 2.975 20 30 DFEDLO C=CCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449898496 338657782 /nfs/dbraw/zinc/65/77/82/338657782.db2.gz FMQVZUYHEOQLJN-UHFFFAOYSA-N 1 2 314.345 2.819 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000450645734 338695747 /nfs/dbraw/zinc/69/57/47/338695747.db2.gz LTHCYJVRVUEQLK-WOSRLPQWSA-N 1 2 303.431 2.503 20 30 DFEDLO C=C(CC)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450903419 338711600 /nfs/dbraw/zinc/71/16/00/338711600.db2.gz BZALVSCHGASUSD-UHFFFAOYSA-N 1 2 305.378 2.805 20 30 DFEDLO COc1cc(N2CC[NH+](CC3(C#N)CCC3)CC2)ccc1F ZINC000450943887 338713739 /nfs/dbraw/zinc/71/37/39/338713739.db2.gz XGGZZGGQBXBCEL-UHFFFAOYSA-N 1 2 303.381 2.650 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000455952497 338915149 /nfs/dbraw/zinc/91/51/49/338915149.db2.gz TYCOWDGMBOBCAC-UHFFFAOYSA-N 1 2 324.384 2.695 20 30 DFEDLO N#CCC[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)CC1CC1 ZINC000459362247 339024673 /nfs/dbraw/zinc/02/46/73/339024673.db2.gz PQYXXCSIMFNVOH-UHFFFAOYSA-N 1 2 308.385 2.975 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459457165 339030313 /nfs/dbraw/zinc/03/03/13/339030313.db2.gz CTHDYXPZBYLYNQ-LOWVWBTDSA-N 1 2 321.808 2.957 20 30 DFEDLO CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)c1nc2ccccc2s1 ZINC000459462442 339030557 /nfs/dbraw/zinc/03/05/57/339030557.db2.gz JUVUTJNQWSGJFP-NEPJUHHUSA-N 1 2 314.414 2.541 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286947 339230013 /nfs/dbraw/zinc/23/00/13/339230013.db2.gz BSNOKPZMQHWBIX-OIISXLGYSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286947 339230014 /nfs/dbraw/zinc/23/00/14/339230014.db2.gz BSNOKPZMQHWBIX-OIISXLGYSA-N 1 2 317.816 2.965 20 30 DFEDLO C=CC[C@H](CO)CNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000488098263 339770307 /nfs/dbraw/zinc/77/03/07/339770307.db2.gz IDPAYGPEMZGIRJ-AWEZNQCLSA-N 1 2 310.401 2.767 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000488382604 339779058 /nfs/dbraw/zinc/77/90/58/339779058.db2.gz CXXRAJGRKRVISS-UHFFFAOYSA-N 1 2 310.401 2.599 20 30 DFEDLO C#CCN(CC#CC)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000491313814 339857721 /nfs/dbraw/zinc/85/77/21/339857721.db2.gz AYYHBKPPVAEUPY-MRXNPFEDSA-N 1 2 320.396 2.601 20 30 DFEDLO C#C[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000491442121 339862375 /nfs/dbraw/zinc/86/23/75/339862375.db2.gz ZUZXFAHAZYKDSM-INIZCTEOSA-N 1 2 321.355 2.975 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000076546390 341209189 /nfs/dbraw/zinc/20/91/89/341209189.db2.gz ZAXJTZIDNUWCEV-ZDUSSCGKSA-N 1 2 307.825 2.780 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000076546390 341209190 /nfs/dbraw/zinc/20/91/90/341209190.db2.gz ZAXJTZIDNUWCEV-ZDUSSCGKSA-N 1 2 307.825 2.780 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000547443101 341214004 /nfs/dbraw/zinc/21/40/04/341214004.db2.gz ANJQLZCZUNKDMJ-SFHVURJKSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000547443101 341214005 /nfs/dbraw/zinc/21/40/05/341214005.db2.gz ANJQLZCZUNKDMJ-SFHVURJKSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000135934127 341248497 /nfs/dbraw/zinc/24/84/97/341248497.db2.gz MKBUWDORQNAZMY-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO C=CCOc1ccccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000135934127 341248498 /nfs/dbraw/zinc/24/84/98/341248498.db2.gz MKBUWDORQNAZMY-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000080040228 341268749 /nfs/dbraw/zinc/26/87/49/341268749.db2.gz VWXXXVXBEYVNQB-KBPBESRZSA-N 1 2 305.397 2.827 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000080040228 341268750 /nfs/dbraw/zinc/26/87/50/341268750.db2.gz VWXXXVXBEYVNQB-KBPBESRZSA-N 1 2 305.397 2.827 20 30 DFEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000548865311 341278813 /nfs/dbraw/zinc/27/88/13/341278813.db2.gz 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341396212 /nfs/dbraw/zinc/39/62/12/341396212.db2.gz MBBKAWLKEVVPDF-GJZGRUSLSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553369012 341426976 /nfs/dbraw/zinc/42/69/76/341426976.db2.gz WVFIHPRLCSUTIR-HNNXBMFYSA-N 1 2 313.376 2.799 20 30 DFEDLO C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)n1cc[nH+]c1 ZINC000565047677 341515761 /nfs/dbraw/zinc/51/57/61/341515761.db2.gz OVAKTGQBKREHLX-FZMZJTMJSA-N 1 2 302.765 2.869 20 30 DFEDLO C=CC(C)(C)CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566469463 341558973 /nfs/dbraw/zinc/55/89/73/341558973.db2.gz UQINGLYHTRMKCT-SNVBAGLBSA-N 1 2 303.328 2.785 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@@H](C#N)CCC#N)c1cccc(F)c1 ZINC000567935060 341641447 /nfs/dbraw/zinc/64/14/47/341641447.db2.gz ZPXHDVYFTFJIFT-CZUORRHYSA-N 1 2 311.364 2.682 20 30 DFEDLO COc1cccc(OC)c1Oc1ccc(C[NH2+]CCC#N)cn1 ZINC000575981409 341818256 /nfs/dbraw/zinc/81/82/56/341818256.db2.gz LMBDXUKOVZIBIF-UHFFFAOYSA-N 1 2 313.357 2.894 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000156998366 518849444 /nfs/dbraw/zinc/84/94/44/518849444.db2.gz ARJYIWNIZBSXNT-HNNXBMFYSA-N 1 2 316.401 2.743 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000156998366 518849451 /nfs/dbraw/zinc/84/94/51/518849451.db2.gz ARJYIWNIZBSXNT-HNNXBMFYSA-N 1 2 316.401 2.743 20 30 DFEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1F ZINC000365690220 526569057 /nfs/dbraw/zinc/56/90/57/526569057.db2.gz FAQUQJZXDPTZDQ-QGZVFWFLSA-N 1 2 309.344 2.910 20 30 DFEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1F ZINC000365690220 526569060 /nfs/dbraw/zinc/56/90/60/526569060.db2.gz FAQUQJZXDPTZDQ-QGZVFWFLSA-N 1 2 309.344 2.910 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000302046869 527230292 /nfs/dbraw/zinc/23/02/92/527230292.db2.gz LFVFTWCMQUKKOO-INIZCTEOSA-N 1 2 307.353 2.814 20 30 DFEDLO CCC(CC)[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000172931797 535090930 /nfs/dbraw/zinc/09/09/30/535090930.db2.gz HSFVXQFYDGKAKC-KRWDZBQOSA-N 1 2 315.417 2.634 20 30 DFEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000681482792 545650479 /nfs/dbraw/zinc/65/04/79/545650479.db2.gz AOHGEOCRJJFIJD-CQSZACIVSA-N 1 2 312.392 2.846 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000682085147 545793823 /nfs/dbraw/zinc/79/38/23/545793823.db2.gz YPSGILMPGCEEPE-SFHVURJKSA-N 1 2 315.417 2.530 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1ccc3cc(C#N)ccc3n1)C2 ZINC000378413561 282096594 /nfs/dbraw/zinc/09/65/94/282096594.db2.gz GBZSDBHHIKKCLC-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066314412 398369426 /nfs/dbraw/zinc/36/94/26/398369426.db2.gz KFNXJVCPLVQEFX-HNNXBMFYSA-N 1 2 313.401 2.529 20 30 DFEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000066394549 398375080 /nfs/dbraw/zinc/37/50/80/398375080.db2.gz SOHRNTRDLLPGPM-LBPRGKRZSA-N 1 2 323.183 2.961 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000066424970 398376672 /nfs/dbraw/zinc/37/66/72/398376672.db2.gz DAXKGODWIARBIT-OLZOCXBDSA-N 1 2 323.387 2.966 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000066424970 398376675 /nfs/dbraw/zinc/37/66/75/398376675.db2.gz DAXKGODWIARBIT-OLZOCXBDSA-N 1 2 323.387 2.966 20 30 DFEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592067031 398378174 /nfs/dbraw/zinc/37/81/74/398378174.db2.gz NGBYFAUUUISGNZ-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066506 398378258 /nfs/dbraw/zinc/37/82/58/398378258.db2.gz JFEFZJQZOIQCTK-UHFFFAOYSA-N 1 2 309.369 2.519 20 30 DFEDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066506 398378262 /nfs/dbraw/zinc/37/82/62/398378262.db2.gz JFEFZJQZOIQCTK-UHFFFAOYSA-N 1 2 309.369 2.519 20 30 DFEDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066926 398378549 /nfs/dbraw/zinc/37/85/49/398378549.db2.gz VLHDJYCCYBFSJX-OAHLLOKOSA-N 1 2 323.396 2.765 20 30 DFEDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066926 398378553 /nfs/dbraw/zinc/37/85/53/398378553.db2.gz VLHDJYCCYBFSJX-OAHLLOKOSA-N 1 2 323.396 2.765 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000066469276 398379491 /nfs/dbraw/zinc/37/94/91/398379491.db2.gz MMFHRHACNLSADE-AGIUHOORSA-N 1 2 307.825 2.997 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000066469276 398379494 /nfs/dbraw/zinc/37/94/94/398379494.db2.gz MMFHRHACNLSADE-AGIUHOORSA-N 1 2 307.825 2.997 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000066469538 398379554 /nfs/dbraw/zinc/37/95/54/398379554.db2.gz XGQUJVLAFLTWJL-QWRGUYRKSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000066469538 398379555 /nfs/dbraw/zinc/37/95/55/398379555.db2.gz XGQUJVLAFLTWJL-QWRGUYRKSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000066470527 398379599 /nfs/dbraw/zinc/37/95/99/398379599.db2.gz CWUYYTGENUQVQV-PWSUYJOCSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000066470527 398379602 /nfs/dbraw/zinc/37/96/02/398379602.db2.gz CWUYYTGENUQVQV-PWSUYJOCSA-N 1 2 317.216 2.825 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592074710 398379990 /nfs/dbraw/zinc/37/99/90/398379990.db2.gz MGILIRSQASVOCA-CQSZACIVSA-N 1 2 315.417 2.897 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592074710 398379993 /nfs/dbraw/zinc/37/99/93/398379993.db2.gz MGILIRSQASVOCA-CQSZACIVSA-N 1 2 315.417 2.897 20 30 DFEDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592083539 398381123 /nfs/dbraw/zinc/38/11/23/398381123.db2.gz UUMVHOQMQDHVFK-SUMWQHHRSA-N 1 2 309.369 2.593 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1 ZINC000083031608 398381471 /nfs/dbraw/zinc/38/14/71/398381471.db2.gz GIWZJQAFUNBVFA-HNNXBMFYSA-N 1 2 304.415 2.505 20 30 DFEDLO C=CCOc1ccc(CC(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1 ZINC000580778745 398385671 /nfs/dbraw/zinc/38/56/71/398385671.db2.gz GDNCZKCKRCOLNV-UHFFFAOYSA-N 1 2 313.401 2.877 20 30 DFEDLO CCOc1ccc([C@@H](COC)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592122323 398387395 /nfs/dbraw/zinc/38/73/95/398387395.db2.gz YNLHELOBQANBBF-GOSISDBHSA-N 1 2 311.385 2.829 20 30 DFEDLO C=CCC1(C(=O)Nc2nc(C[NH+](C)C)cs2)CCOCC1 ZINC000424902776 334935562 /nfs/dbraw/zinc/93/55/62/334935562.db2.gz XUNYZMUXFFIUSP-UHFFFAOYSA-N 1 2 309.435 2.516 20 30 DFEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccncc1C#N ZINC000592124931 398388427 /nfs/dbraw/zinc/38/84/27/398388427.db2.gz NGBSYYQHZGGHBR-DZGCQCFKSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccncc1C#N ZINC000592124931 398388429 /nfs/dbraw/zinc/38/84/29/398388429.db2.gz NGBSYYQHZGGHBR-DZGCQCFKSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134775 398389387 /nfs/dbraw/zinc/38/93/87/398389387.db2.gz JQHXZFSSPSIQTI-YPMHNXCESA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134775 398389389 /nfs/dbraw/zinc/38/93/89/398389389.db2.gz JQHXZFSSPSIQTI-YPMHNXCESA-N 1 2 321.446 2.814 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000092539781 185324835 /nfs/dbraw/zinc/32/48/35/185324835.db2.gz BNHCNJWPXWGKLQ-UHFFFAOYSA-N 1 2 317.458 2.844 20 30 DFEDLO C[C@H]1C[N@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CO1 ZINC000596427978 398409459 /nfs/dbraw/zinc/40/94/59/398409459.db2.gz GJZOOWZIFUQVLX-KBPBESRZSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@H]1C[N@@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CO1 ZINC000596427978 398409466 /nfs/dbraw/zinc/40/94/66/398409466.db2.gz GJZOOWZIFUQVLX-KBPBESRZSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@@H]1C[N@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CO1 ZINC000596428004 398409640 /nfs/dbraw/zinc/40/96/40/398409640.db2.gz GJZOOWZIFUQVLX-UONOGXRCSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@@H]1C[N@@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)CO1 ZINC000596428004 398409644 /nfs/dbraw/zinc/40/96/44/398409644.db2.gz GJZOOWZIFUQVLX-UONOGXRCSA-N 1 2 316.449 2.772 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000086258472 398420125 /nfs/dbraw/zinc/42/01/25/398420125.db2.gz QMXQFXAFGSDMOG-UHFFFAOYSA-N 1 2 307.332 2.772 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000086258472 398420128 /nfs/dbraw/zinc/42/01/28/398420128.db2.gz QMXQFXAFGSDMOG-UHFFFAOYSA-N 1 2 307.332 2.772 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2ccc(O)cc21 ZINC000596489263 398427783 /nfs/dbraw/zinc/42/77/83/398427783.db2.gz RPMVGBCWEPTCOM-HNNXBMFYSA-N 1 2 320.356 2.545 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1F ZINC000296658615 529915916 /nfs/dbraw/zinc/91/59/16/529915916.db2.gz XHWVCHLYPKXUFV-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1F ZINC000296658615 529915917 /nfs/dbraw/zinc/91/59/17/529915917.db2.gz XHWVCHLYPKXUFV-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO COc1ncncc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000592504576 398436396 /nfs/dbraw/zinc/43/63/96/398436396.db2.gz IUJHQSOKIUGHQJ-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ncncc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000592504576 398436398 /nfs/dbraw/zinc/43/63/98/398436398.db2.gz IUJHQSOKIUGHQJ-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO C[C@H](Nc1ncc(Br)cc1C#N)c1[nH+]ccn1C ZINC000596541280 398442810 /nfs/dbraw/zinc/44/28/10/398442810.db2.gz DYDUATWTUPIXAC-QMMMGPOBSA-N 1 2 306.167 2.622 20 30 DFEDLO C(#Cc1ccccc1)CNc1ccccc1C[NH+]1CCOCC1 ZINC000190351667 334949459 /nfs/dbraw/zinc/94/94/59/334949459.db2.gz ADFOHHQCWPVTAW-UHFFFAOYSA-N 1 2 306.409 2.982 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000286737931 219137748 /nfs/dbraw/zinc/13/77/48/219137748.db2.gz FLBLKWCJKWMKLY-LLVKDONJSA-N 1 2 309.207 2.525 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000286737931 219137750 /nfs/dbraw/zinc/13/77/50/219137750.db2.gz FLBLKWCJKWMKLY-LLVKDONJSA-N 1 2 309.207 2.525 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324177 398451999 /nfs/dbraw/zinc/45/19/99/398451999.db2.gz VOWZYVBXBRVEMM-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324177 398452004 /nfs/dbraw/zinc/45/20/04/398452004.db2.gz VOWZYVBXBRVEMM-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO C#CC[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000089592989 398457825 /nfs/dbraw/zinc/45/78/25/398457825.db2.gz AAAZKIJRYSRZGZ-UHFFFAOYSA-N 1 2 301.390 2.704 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000586778220 398457664 /nfs/dbraw/zinc/45/76/64/398457664.db2.gz ZDMLRFGYULPGPE-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000586778220 398457666 /nfs/dbraw/zinc/45/76/66/398457666.db2.gz ZDMLRFGYULPGPE-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000596619822 398462971 /nfs/dbraw/zinc/46/29/71/398462971.db2.gz COHGYIOFDGTQII-SWLSCSKDSA-N 1 2 323.400 2.995 20 30 DFEDLO COc1ccc([C@@H](Nc2ccc(C#N)cn2)c2[nH+]ccn2C)cc1 ZINC000028743621 398476131 /nfs/dbraw/zinc/47/61/31/398476131.db2.gz DLSMZYLCHYWYBO-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO COC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000588202073 398489333 /nfs/dbraw/zinc/48/93/33/398489333.db2.gz UBTCOVWRYFFPKL-CQSZACIVSA-N 1 2 309.207 2.932 20 30 DFEDLO COC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000588202073 398489335 /nfs/dbraw/zinc/48/93/35/398489335.db2.gz UBTCOVWRYFFPKL-CQSZACIVSA-N 1 2 309.207 2.932 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccc1F ZINC000090632431 398490242 /nfs/dbraw/zinc/49/02/42/398490242.db2.gz KEHDPHVJQUAYBL-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CC[N@H+](CC(=O)N1CC[C@@](F)(C#N)C1)Cc1ccccc1Cl ZINC000588704291 398504542 /nfs/dbraw/zinc/50/45/42/398504542.db2.gz FFFNOWGQIQXBBR-MRXNPFEDSA-N 1 2 323.799 2.626 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC[C@@](F)(C#N)C1)Cc1ccccc1Cl ZINC000588704291 398504549 /nfs/dbraw/zinc/50/45/49/398504549.db2.gz FFFNOWGQIQXBBR-MRXNPFEDSA-N 1 2 323.799 2.626 20 30 DFEDLO COC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091065370 398506858 /nfs/dbraw/zinc/50/68/58/398506858.db2.gz OCMBIZLSURZKMS-UHFFFAOYSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2(O)CCCC2)c1C#N ZINC000091075065 398508407 /nfs/dbraw/zinc/50/84/07/398508407.db2.gz HTERUFMDCFLTGZ-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2(O)CCCC2)c1C#N ZINC000091075065 398508409 /nfs/dbraw/zinc/50/84/09/398508409.db2.gz HTERUFMDCFLTGZ-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000596848092 398513226 /nfs/dbraw/zinc/51/32/26/398513226.db2.gz REYMIPBLZRQHAY-ZDUSSCGKSA-N 1 2 324.384 2.836 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000596848092 398513228 /nfs/dbraw/zinc/51/32/28/398513228.db2.gz REYMIPBLZRQHAY-ZDUSSCGKSA-N 1 2 324.384 2.836 20 30 DFEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000279628473 215018255 /nfs/dbraw/zinc/01/82/55/215018255.db2.gz UJQUPPAEENWCAR-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000592998072 398516142 /nfs/dbraw/zinc/51/61/42/398516142.db2.gz PDAFMJIPFZDNNF-GDBMZVCRSA-N 1 2 301.346 2.610 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000592998072 398516144 /nfs/dbraw/zinc/51/61/44/398516144.db2.gz PDAFMJIPFZDNNF-GDBMZVCRSA-N 1 2 301.346 2.610 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1sccc1C#N ZINC000589127131 398528378 /nfs/dbraw/zinc/52/83/78/398528378.db2.gz DHXKQWZRRFXIKC-LBPRGKRZSA-N 1 2 300.387 2.721 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 ZINC000589128703 398529282 /nfs/dbraw/zinc/52/92/82/398529282.db2.gz HNTYPCNYYFDELQ-MRXNPFEDSA-N 1 2 308.385 2.854 20 30 DFEDLO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1[nH+]ccn1C ZINC000596937885 398532642 /nfs/dbraw/zinc/53/26/42/398532642.db2.gz RBFVMLBQBRMIKZ-CYBMUJFWSA-N 1 2 323.400 2.727 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068855446 398533711 /nfs/dbraw/zinc/53/37/11/398533711.db2.gz DPBSXXYPVPISEJ-INIZCTEOSA-N 1 2 311.429 2.947 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000068855446 398533713 /nfs/dbraw/zinc/53/37/13/398533713.db2.gz DPBSXXYPVPISEJ-INIZCTEOSA-N 1 2 311.429 2.947 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CO1 ZINC000593058507 398533871 /nfs/dbraw/zinc/53/38/71/398533871.db2.gz NGRRXQNOMOVOBE-GJZGRUSLSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@@H](CC)CO1 ZINC000593058507 398533874 /nfs/dbraw/zinc/53/38/74/398533874.db2.gz NGRRXQNOMOVOBE-GJZGRUSLSA-N 1 2 316.401 2.734 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+](Cc3ccccn3)C3CC3)n2c1 ZINC000589202561 398536741 /nfs/dbraw/zinc/53/67/41/398536741.db2.gz IVROBTJOGVTBEB-UHFFFAOYSA-N 1 2 303.369 2.766 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+](Cc3ccccn3)C3CC3)n2c1 ZINC000589202561 398536745 /nfs/dbraw/zinc/53/67/45/398536745.db2.gz IVROBTJOGVTBEB-UHFFFAOYSA-N 1 2 303.369 2.766 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCC2)CO1 ZINC000593090658 398542382 /nfs/dbraw/zinc/54/23/82/398542382.db2.gz BYTFRWHNLDCIIF-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCC2)CO1 ZINC000593090658 398542387 /nfs/dbraw/zinc/54/23/87/398542387.db2.gz BYTFRWHNLDCIIF-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C)no1 ZINC000589278606 398542795 /nfs/dbraw/zinc/54/27/95/398542795.db2.gz WCIFWXHYHYLFBL-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000589278770 398543067 /nfs/dbraw/zinc/54/30/67/398543067.db2.gz GQFCBXZYKOQLCV-AWEZNQCLSA-N 1 2 318.348 2.874 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012987 398547090 /nfs/dbraw/zinc/54/70/90/398547090.db2.gz GTOXIDGQQSJWHS-LKBUQDJMSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012987 398547093 /nfs/dbraw/zinc/54/70/93/398547093.db2.gz GTOXIDGQQSJWHS-LKBUQDJMSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000597132494 398572853 /nfs/dbraw/zinc/57/28/53/398572853.db2.gz IHUAZGLFDVMNND-ZIAGYGMSSA-N 1 2 303.381 2.581 20 30 DFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000597165849 398580830 /nfs/dbraw/zinc/58/08/30/398580830.db2.gz MVNQHBQJUCSKQD-NHYWBVRUSA-N 1 2 314.776 2.549 20 30 DFEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000597165849 398580833 /nfs/dbraw/zinc/58/08/33/398580833.db2.gz MVNQHBQJUCSKQD-NHYWBVRUSA-N 1 2 314.776 2.549 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1Br ZINC000070739629 398597180 /nfs/dbraw/zinc/59/71/80/398597180.db2.gz VOMZVHCZSCKWEQ-NSHDSACASA-N 1 2 311.223 2.572 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000070739629 398597182 /nfs/dbraw/zinc/59/71/82/398597182.db2.gz VOMZVHCZSCKWEQ-NSHDSACASA-N 1 2 311.223 2.572 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000350203290 398599286 /nfs/dbraw/zinc/59/92/86/398599286.db2.gz UMJBDJBHMJYXEM-AWEZNQCLSA-N 1 2 307.357 2.634 20 30 DFEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000042978934 398608470 /nfs/dbraw/zinc/60/84/70/398608470.db2.gz NJRWVUJATYXJSE-KDOFPFPSSA-N 1 2 317.433 2.570 20 30 DFEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000042978934 398608473 /nfs/dbraw/zinc/60/84/73/398608473.db2.gz NJRWVUJATYXJSE-KDOFPFPSSA-N 1 2 317.433 2.570 20 30 DFEDLO N#CC1(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000590267929 398608643 /nfs/dbraw/zinc/60/86/43/398608643.db2.gz HXLHCCNWSGEKAK-UHFFFAOYSA-N 1 2 305.341 2.828 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)CC3(C#N)CC3)CC2)s1 ZINC000590265692 398608671 /nfs/dbraw/zinc/60/86/71/398608671.db2.gz FVBDNQJRNCHXFS-UHFFFAOYSA-N 1 2 317.458 2.649 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590327721 398614451 /nfs/dbraw/zinc/61/44/51/398614451.db2.gz CYNKEFXCUVJRLD-CYBMUJFWSA-N 1 2 303.431 2.647 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139713260 186024079 /nfs/dbraw/zinc/02/40/79/186024079.db2.gz RGASMWJLQHKGCM-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139713260 186024081 /nfs/dbraw/zinc/02/40/81/186024081.db2.gz RGASMWJLQHKGCM-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000280690784 334969858 /nfs/dbraw/zinc/96/98/58/334969858.db2.gz RNMHMOWTKPVEPL-IKGGRYGDSA-N 1 2 303.402 2.862 20 30 DFEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000043329795 398619179 /nfs/dbraw/zinc/61/91/79/398619179.db2.gz ABFXZIROAKLYIY-UHFFFAOYSA-N 1 2 310.357 2.501 20 30 DFEDLO CC[C@H](C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000593407352 398620248 /nfs/dbraw/zinc/62/02/48/398620248.db2.gz ROIWIPZRGYQEKS-OAHLLOKOSA-N 1 2 300.406 2.628 20 30 DFEDLO O=C(NCC#Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523784 398624531 /nfs/dbraw/zinc/62/45/31/398624531.db2.gz HQRPZWWXVZHXGY-UHFFFAOYSA-N 1 2 301.349 2.654 20 30 DFEDLO CC(C)(C)[C@@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597351060 398626603 /nfs/dbraw/zinc/62/66/03/398626603.db2.gz OMJKSWJXHHEWNK-LSDHHAIUSA-N 1 2 310.401 2.986 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072768863 398635554 /nfs/dbraw/zinc/63/55/54/398635554.db2.gz XBLRZXCACNSZJR-JFGNBEQYSA-N 1 2 321.446 2.921 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072768863 398635558 /nfs/dbraw/zinc/63/55/58/398635558.db2.gz XBLRZXCACNSZJR-JFGNBEQYSA-N 1 2 321.446 2.921 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)S1 ZINC000072769597 398636236 /nfs/dbraw/zinc/63/62/36/398636236.db2.gz NGJBOQMWYAJGJE-PHIMTYICSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)S1 ZINC000072769597 398636238 /nfs/dbraw/zinc/63/62/38/398636238.db2.gz NGJBOQMWYAJGJE-PHIMTYICSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440265 398641173 /nfs/dbraw/zinc/64/11/73/398641173.db2.gz FJEFAEHBCWHRGR-VCTAVGKDSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440265 398641178 /nfs/dbraw/zinc/64/11/78/398641178.db2.gz FJEFAEHBCWHRGR-VCTAVGKDSA-N 1 2 323.799 2.890 20 30 DFEDLO N#CC1(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000597432850 398639779 /nfs/dbraw/zinc/63/97/79/398639779.db2.gz NSCROTKRBKOMHN-HNNXBMFYSA-N 1 2 312.417 2.641 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000072861357 398642676 /nfs/dbraw/zinc/64/26/76/398642676.db2.gz XSDOKYXKGVRKQH-AAEUAGOBSA-N 1 2 321.446 2.923 20 30 DFEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000072861357 398642680 /nfs/dbraw/zinc/64/26/80/398642680.db2.gz XSDOKYXKGVRKQH-AAEUAGOBSA-N 1 2 321.446 2.923 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000597458840 398645366 /nfs/dbraw/zinc/64/53/66/398645366.db2.gz HHYNUSZDDNFMFC-HNNXBMFYSA-N 1 2 322.412 2.560 20 30 DFEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)CC1(C#N)CCCCC1 ZINC000597543038 398658149 /nfs/dbraw/zinc/65/81/49/398658149.db2.gz PFANNPTVFZYHTR-HNNXBMFYSA-N 1 2 314.433 2.768 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000045029583 398659891 /nfs/dbraw/zinc/65/98/91/398659891.db2.gz ANCMBIZVUYHYTM-UHFFFAOYSA-N 1 2 305.341 2.570 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000597573278 398662959 /nfs/dbraw/zinc/66/29/59/398662959.db2.gz XTRYLWJJXKVFOI-IUODEOHRSA-N 1 2 300.406 2.512 20 30 DFEDLO Cc1nn(C)c(C[NH2+]CC2(C#N)CCCC2)c1Br ZINC000593654449 398666114 /nfs/dbraw/zinc/66/61/14/398666114.db2.gz CMZFMTNPEGDUAE-UHFFFAOYSA-N 1 2 311.227 2.665 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCc2ccc(C#N)cc2)CC1(C)C ZINC000590768440 398669738 /nfs/dbraw/zinc/66/97/38/398669738.db2.gz GDWBJTMZNRLCHG-QGZVFWFLSA-N 1 2 322.412 2.834 20 30 DFEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)ccc1F ZINC000073353609 398677044 /nfs/dbraw/zinc/67/70/44/398677044.db2.gz FCNGIYPLEDPVKX-KRWDZBQOSA-N 1 2 324.359 2.695 20 30 DFEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)ccc1F ZINC000073353609 398677048 /nfs/dbraw/zinc/67/70/48/398677048.db2.gz FCNGIYPLEDPVKX-KRWDZBQOSA-N 1 2 324.359 2.695 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1cccc(C#N)c1 ZINC000590807651 398678536 /nfs/dbraw/zinc/67/85/36/398678536.db2.gz PJGDBRKPHLXSTH-SLEUVZQESA-N 1 2 309.373 2.821 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000590807880 398678562 /nfs/dbraw/zinc/67/85/62/398678562.db2.gz WEZAEGKFGWQWGA-CHWSQXEVSA-N 1 2 311.389 2.896 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(C#N)cc1OC ZINC000590828952 398683316 /nfs/dbraw/zinc/68/33/16/398683316.db2.gz BTNDGAIUABWJNJ-LLVKDONJSA-N 1 2 313.361 2.666 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CC3(C#N)CC3)ccc2n1[C@H](C)CO ZINC000590883611 398695258 /nfs/dbraw/zinc/69/52/58/398695258.db2.gz JXAPYGNUCPDUNG-LLVKDONJSA-N 1 2 312.373 2.530 20 30 DFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cn2)cc1 ZINC000073869322 398705837 /nfs/dbraw/zinc/70/58/37/398705837.db2.gz YRWAQDJNKCGSGX-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO N#CCCCOc1ccc[nH+]c1NCc1cc2n(n1)CCCC2 ZINC000593944696 398706583 /nfs/dbraw/zinc/70/65/83/398706583.db2.gz NKZTXBDSXSRCCT-UHFFFAOYSA-N 1 2 311.389 2.909 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000590953922 398706946 /nfs/dbraw/zinc/70/69/46/398706946.db2.gz PEVZJJUYYOABTM-OAHLLOKOSA-N 1 2 324.340 2.515 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000590953922 398706948 /nfs/dbraw/zinc/70/69/48/398706948.db2.gz PEVZJJUYYOABTM-OAHLLOKOSA-N 1 2 324.340 2.515 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000590959268 398708012 /nfs/dbraw/zinc/70/80/12/398708012.db2.gz QIOKAFINGZCDPS-ONGXEEELSA-N 1 2 314.414 2.667 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000590958967 398708150 /nfs/dbraw/zinc/70/81/50/398708150.db2.gz ZFLSGFIQFUBUIR-ZWNOBZJWSA-N 1 2 319.206 2.879 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCCCC#N ZINC000593993812 398716147 /nfs/dbraw/zinc/71/61/47/398716147.db2.gz FTGNTJOLPLHRMI-UHFFFAOYSA-N 1 2 310.401 2.974 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056025 398719480 /nfs/dbraw/zinc/71/94/80/398719480.db2.gz SSAOEZBCUHIQCR-KGLIPLIRSA-N 1 2 311.422 2.548 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056025 398719484 /nfs/dbraw/zinc/71/94/84/398719484.db2.gz SSAOEZBCUHIQCR-KGLIPLIRSA-N 1 2 311.422 2.548 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281548243 334980495 /nfs/dbraw/zinc/98/04/95/334980495.db2.gz ZUHHDALYGOUCOJ-AWEZNQCLSA-N 1 2 322.478 2.633 20 30 DFEDLO CCCCn1nnnc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032759 398726726 /nfs/dbraw/zinc/72/67/26/398726726.db2.gz OGRYAJWVRREJKR-UHFFFAOYSA-N 1 2 310.405 2.514 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)C2 ZINC000597954806 398727081 /nfs/dbraw/zinc/72/70/81/398727081.db2.gz LXSGXNYMTDKPAH-AWEZNQCLSA-N 1 2 322.412 2.746 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000597954806 398727082 /nfs/dbraw/zinc/72/70/82/398727082.db2.gz LXSGXNYMTDKPAH-AWEZNQCLSA-N 1 2 322.412 2.746 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000594040810 398729057 /nfs/dbraw/zinc/72/90/57/398729057.db2.gz IENTWWOCTQRJFX-XJKCOSOUSA-N 1 2 308.385 2.756 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCC[C@H]1C1CC1 ZINC000591186601 398736894 /nfs/dbraw/zinc/73/68/94/398736894.db2.gz HEURAVSLHPLNED-KGLIPLIRSA-N 1 2 310.405 2.978 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NC(C)(C)C[NH+]2CCOCC2)n1 ZINC000591195206 398738288 /nfs/dbraw/zinc/73/82/88/398738288.db2.gz UYMHRIFBFJWNCJ-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO CC[C@@](C)(C#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000114684260 398747027 /nfs/dbraw/zinc/74/70/27/398747027.db2.gz DXMHXJYPODPZGP-INIZCTEOSA-N 1 2 316.430 2.684 20 30 DFEDLO N#Cc1cc2c(nc1N1CCCN(c3cccc[nH+]3)CC1)CCC2 ZINC000368094932 283115613 /nfs/dbraw/zinc/11/56/13/283115613.db2.gz UZWXIRVAMWJNFN-UHFFFAOYSA-N 1 2 319.412 2.554 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 ZINC000280345878 215557871 /nfs/dbraw/zinc/55/78/71/215557871.db2.gz HOAIQNLNDKWTDR-TZMCWYRMSA-N 1 2 308.328 2.797 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000594231028 398769718 /nfs/dbraw/zinc/76/97/18/398769718.db2.gz VLJWYVHTKHMFSY-AWEZNQCLSA-N 1 2 322.412 2.514 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594252111 398774701 /nfs/dbraw/zinc/77/47/01/398774701.db2.gz IPTOYPISYQWOPZ-UHFFFAOYSA-N 1 2 323.400 2.653 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)c1cccc(C#N)c1 ZINC000591616678 398777373 /nfs/dbraw/zinc/77/73/73/398777373.db2.gz ZADJGXURIQQVIG-IUODEOHRSA-N 1 2 312.373 2.686 20 30 DFEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184634216 199744680 /nfs/dbraw/zinc/74/46/80/199744680.db2.gz IAUVJBPOGHMJAM-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)CCCCC#N)CC2)cs1 ZINC000594284341 398779193 /nfs/dbraw/zinc/77/91/93/398779193.db2.gz WLVAFLYTQZOWIG-UHFFFAOYSA-N 1 2 320.462 2.570 20 30 DFEDLO Cc1nc(C[N@H+]2CCCN(C(=O)CCCCC#N)CC2)cs1 ZINC000594284341 398779196 /nfs/dbraw/zinc/77/91/96/398779196.db2.gz WLVAFLYTQZOWIG-UHFFFAOYSA-N 1 2 320.462 2.570 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000594301437 398781313 /nfs/dbraw/zinc/78/13/13/398781313.db2.gz NOJAALNMWHMMNM-OAHLLOKOSA-N 1 2 322.412 2.750 20 30 DFEDLO CC(C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000120344810 398781835 /nfs/dbraw/zinc/78/18/35/398781835.db2.gz OPQXCMVGESYUIE-INIZCTEOSA-N 1 2 318.417 2.893 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000594325827 398783347 /nfs/dbraw/zinc/78/33/47/398783347.db2.gz MRGLLAPPSWXBJI-RHSMWYFYSA-N 1 2 322.412 2.627 20 30 DFEDLO Cc1cc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c(C#N)c[nH+]1 ZINC000591820204 398791409 /nfs/dbraw/zinc/79/14/09/398791409.db2.gz IAUZJHIUCJLGBP-AWEZNQCLSA-N 1 2 314.339 2.653 20 30 DFEDLO COC(=O)C(C)(C)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591822536 398792090 /nfs/dbraw/zinc/79/20/90/398792090.db2.gz CHQRLMSKVWJCPX-CQSZACIVSA-N 1 2 301.390 2.677 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000591827484 398793285 /nfs/dbraw/zinc/79/32/85/398793285.db2.gz JOLLPPUXADWPRJ-PBHICJAKSA-N 1 2 322.347 2.789 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000263765109 283216435 /nfs/dbraw/zinc/21/64/35/283216435.db2.gz VQSDQWGNVKTLAR-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000049982167 398801216 /nfs/dbraw/zinc/80/12/16/398801216.db2.gz JOPQTTANCTYHOR-IILDEKEXSA-N 1 2 303.450 2.553 20 30 DFEDLO CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000049982167 398801218 /nfs/dbraw/zinc/80/12/18/398801218.db2.gz JOPQTTANCTYHOR-IILDEKEXSA-N 1 2 303.450 2.553 20 30 DFEDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000594507513 398812180 /nfs/dbraw/zinc/81/21/80/398812180.db2.gz GCJAJFVJRNVAQH-IINYFYTJSA-N 1 2 315.352 2.518 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594510330 398812439 /nfs/dbraw/zinc/81/24/39/398812439.db2.gz IUCLMMGDFAKLFE-HOTGVXAUSA-N 1 2 323.400 2.695 20 30 DFEDLO C#CCCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000179647840 199069245 /nfs/dbraw/zinc/06/92/45/199069245.db2.gz NZVCHPGHKSWYNM-UHFFFAOYSA-N 1 2 300.402 2.651 20 30 DFEDLO N#Cc1c(-n2cccn2)cccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000594545787 398818843 /nfs/dbraw/zinc/81/88/43/398818843.db2.gz KGIDVALMWWGTQO-UHFFFAOYSA-N 1 2 318.384 2.782 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179824800 199085435 /nfs/dbraw/zinc/08/54/35/199085435.db2.gz PFFHOFDVUFSQNQ-OAHLLOKOSA-N 1 2 320.437 2.658 20 30 DFEDLO C#CCOc1ccccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000075955753 398829696 /nfs/dbraw/zinc/82/96/96/398829696.db2.gz WRAMKJHGQXXERZ-UHFFFAOYSA-N 1 2 323.318 2.747 20 30 DFEDLO Cn1c(Cl)cnc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000179875093 199090645 /nfs/dbraw/zinc/09/06/45/199090645.db2.gz ITFLPQVNEUMWGA-UHFFFAOYSA-N 1 2 318.808 2.846 20 30 DFEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000179875093 199090646 /nfs/dbraw/zinc/09/06/46/199090646.db2.gz ITFLPQVNEUMWGA-UHFFFAOYSA-N 1 2 318.808 2.846 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000594610976 398831933 /nfs/dbraw/zinc/83/19/33/398831933.db2.gz IJMZAAKKCVTBPV-UHFFFAOYSA-N 1 2 317.392 2.966 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000594610976 398831936 /nfs/dbraw/zinc/83/19/36/398831936.db2.gz IJMZAAKKCVTBPV-UHFFFAOYSA-N 1 2 317.392 2.966 20 30 DFEDLO Cc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000152427522 283323799 /nfs/dbraw/zinc/32/37/99/283323799.db2.gz ZVPVZPZXTMGKBP-UHFFFAOYSA-N 1 2 310.357 2.771 20 30 DFEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000594629476 398835474 /nfs/dbraw/zinc/83/54/74/398835474.db2.gz PLRJLSRXKROXDN-LJQANCHMSA-N 1 2 319.408 2.848 20 30 DFEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000594629476 398835476 /nfs/dbraw/zinc/83/54/76/398835476.db2.gz PLRJLSRXKROXDN-LJQANCHMSA-N 1 2 319.408 2.848 20 30 DFEDLO CC[N@H+](Cc1nnnn1C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000361619143 535395696 /nfs/dbraw/zinc/39/56/96/535395696.db2.gz FMQXNTSGCFZRCS-CYBMUJFWSA-N 1 2 312.421 2.883 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000076153571 398844192 /nfs/dbraw/zinc/84/41/92/398844192.db2.gz KXGQZPFEMZNTEH-HOTGVXAUSA-N 1 2 310.353 2.617 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000076153571 398844195 /nfs/dbraw/zinc/84/41/95/398844195.db2.gz KXGQZPFEMZNTEH-HOTGVXAUSA-N 1 2 310.353 2.617 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cscn1 ZINC000594709184 398846578 /nfs/dbraw/zinc/84/65/78/398846578.db2.gz DKUUAGJGKONCGL-NEPJUHHUSA-N 1 2 306.435 2.525 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)cn1 ZINC000598624455 398843501 /nfs/dbraw/zinc/84/35/01/398843501.db2.gz COYBEDAOUJTYMH-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)cn1 ZINC000598624455 398843503 /nfs/dbraw/zinc/84/35/03/398843503.db2.gz COYBEDAOUJTYMH-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO N#CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000594717694 398847971 /nfs/dbraw/zinc/84/79/71/398847971.db2.gz FICPDESYHHDEFE-UHFFFAOYSA-N 1 2 320.561 2.948 20 30 DFEDLO C#CCC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000276629227 213011091 /nfs/dbraw/zinc/01/10/91/213011091.db2.gz JCMDFGZZESLUPN-INIZCTEOSA-N 1 2 311.429 2.750 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)CCc1c[nH+]cn1C ZINC000276620747 213004147 /nfs/dbraw/zinc/00/41/47/213004147.db2.gz QXACLDNNIDDMRG-UHFFFAOYSA-N 1 2 301.365 2.707 20 30 DFEDLO CC(C)[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000594991046 398888094 /nfs/dbraw/zinc/88/80/94/398888094.db2.gz YJUPGJCHWPAQNF-HZPDHXFCSA-N 1 2 301.415 2.863 20 30 DFEDLO C=CCCSCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000595058741 398899786 /nfs/dbraw/zinc/89/97/86/398899786.db2.gz KPDLLEPKOXUHLN-AWEZNQCLSA-N 1 2 306.410 2.932 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000143241453 398902052 /nfs/dbraw/zinc/90/20/52/398902052.db2.gz DMCXRVIJANRSNY-LSZNHBMWSA-N 1 2 303.450 2.551 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000143241453 398902055 /nfs/dbraw/zinc/90/20/55/398902055.db2.gz DMCXRVIJANRSNY-LSZNHBMWSA-N 1 2 303.450 2.551 20 30 DFEDLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090512 398903629 /nfs/dbraw/zinc/90/36/29/398903629.db2.gz GXQIFVTYWOTVNN-OAHLLOKOSA-N 1 2 320.458 2.912 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595302124 398919826 /nfs/dbraw/zinc/91/98/26/398919826.db2.gz RUMXJCHWUQXJOJ-UHFFFAOYSA-N 1 2 308.385 2.746 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599155412 398931337 /nfs/dbraw/zinc/93/13/37/398931337.db2.gz SGTOYNDHYVLCIO-AWEZNQCLSA-N 1 2 324.384 2.663 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000599194171 398937723 /nfs/dbraw/zinc/93/77/23/398937723.db2.gz AFKBWUISKWSUHY-UHFFFAOYSA-N 1 2 305.385 2.680 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000599194171 398937725 /nfs/dbraw/zinc/93/77/25/398937725.db2.gz AFKBWUISKWSUHY-UHFFFAOYSA-N 1 2 305.385 2.680 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000599194862 398938219 /nfs/dbraw/zinc/93/82/19/398938219.db2.gz JZIBXGBGYMLFRI-UHFFFAOYSA-N 1 2 319.412 2.927 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000599194862 398938224 /nfs/dbraw/zinc/93/82/24/398938224.db2.gz JZIBXGBGYMLFRI-UHFFFAOYSA-N 1 2 319.412 2.927 20 30 DFEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599252820 398943257 /nfs/dbraw/zinc/94/32/57/398943257.db2.gz UHLGMSBERMJYFC-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c(C#N)c1 ZINC000599285781 398948128 /nfs/dbraw/zinc/94/81/28/398948128.db2.gz ZHERXSHDOBCOQP-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c(C#N)c1 ZINC000599285781 398948129 /nfs/dbraw/zinc/94/81/29/398948129.db2.gz ZHERXSHDOBCOQP-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1C#N ZINC000599281122 398947247 /nfs/dbraw/zinc/94/72/47/398947247.db2.gz FSPDJKGGPICOOZ-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C#N ZINC000599339912 398956525 /nfs/dbraw/zinc/95/65/25/398956525.db2.gz XYGBVIKXKPKAFB-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C#N ZINC000599339912 398956529 /nfs/dbraw/zinc/95/65/29/398956529.db2.gz XYGBVIKXKPKAFB-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO COc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559853 398958412 /nfs/dbraw/zinc/95/84/12/398958412.db2.gz YZRIQWHCLRLVDC-LBPRGKRZSA-N 1 2 322.372 2.922 20 30 DFEDLO COC(=O)C1([N@H+](Cc2ccc(C#N)cc2OC)C2CC2)CCC1 ZINC000595540965 398961473 /nfs/dbraw/zinc/96/14/73/398961473.db2.gz CGUIQHPYHCAQJT-UHFFFAOYSA-N 1 2 314.385 2.627 20 30 DFEDLO COC(=O)C1([N@@H+](Cc2ccc(C#N)cc2OC)C2CC2)CCC1 ZINC000595540965 398961477 /nfs/dbraw/zinc/96/14/77/398961477.db2.gz CGUIQHPYHCAQJT-UHFFFAOYSA-N 1 2 314.385 2.627 20 30 DFEDLO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)ccc1C#N ZINC000281446748 216304749 /nfs/dbraw/zinc/30/47/49/216304749.db2.gz ABBAGGKVHSDVHY-UHFFFAOYSA-N 1 2 312.373 2.817 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000193385749 201043471 /nfs/dbraw/zinc/04/34/71/201043471.db2.gz YOXWHMXDFPIRFT-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#CC1(CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000595567448 398976317 /nfs/dbraw/zinc/97/63/17/398976317.db2.gz OIFABCCEUNZDGW-AWEZNQCLSA-N 1 2 315.421 2.534 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(F)F)CC1 ZINC000362723288 291275818 /nfs/dbraw/zinc/27/58/18/291275818.db2.gz JQGUCUWJPQFFBY-CQSZACIVSA-N 1 2 308.328 2.749 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3sccc3Cl)CC2)nc1 ZINC000194325216 201203932 /nfs/dbraw/zinc/20/39/32/201203932.db2.gz SJSBAKCVZSZIGN-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C2 ZINC000165246430 398992603 /nfs/dbraw/zinc/99/26/03/398992603.db2.gz FUAFHLWACHIOAP-HOTGVXAUSA-N 1 2 322.412 2.984 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)CC2 ZINC000165246430 398992605 /nfs/dbraw/zinc/99/26/05/398992605.db2.gz FUAFHLWACHIOAP-HOTGVXAUSA-N 1 2 322.412 2.984 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609399 398996708 /nfs/dbraw/zinc/99/67/08/398996708.db2.gz JKFKEAFDVDGMLG-KBPBESRZSA-N 1 2 301.390 2.648 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609399 398996711 /nfs/dbraw/zinc/99/67/11/398996711.db2.gz JKFKEAFDVDGMLG-KBPBESRZSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611964 398998511 /nfs/dbraw/zinc/99/85/11/398998511.db2.gz QMMGAILKLXTBPN-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611964 398998518 /nfs/dbraw/zinc/99/85/18/398998518.db2.gz QMMGAILKLXTBPN-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595613432 399001618 /nfs/dbraw/zinc/00/16/18/399001618.db2.gz CRNXCMAIXSHOOJ-CYBMUJFWSA-N 1 2 307.357 2.734 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595613432 399001624 /nfs/dbraw/zinc/00/16/24/399001624.db2.gz CRNXCMAIXSHOOJ-CYBMUJFWSA-N 1 2 307.357 2.734 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000595623518 399007592 /nfs/dbraw/zinc/00/75/92/399007592.db2.gz SCAZKXUSZILNEO-ZDUSSCGKSA-N 1 2 314.364 2.925 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000595623518 399007597 /nfs/dbraw/zinc/00/75/97/399007597.db2.gz SCAZKXUSZILNEO-ZDUSSCGKSA-N 1 2 314.364 2.925 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623988 399007407 /nfs/dbraw/zinc/00/74/07/399007407.db2.gz ZZHKQCINOREBEM-ZIAGYGMSSA-N 1 2 302.426 2.865 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623988 399007409 /nfs/dbraw/zinc/00/74/09/399007409.db2.gz ZZHKQCINOREBEM-ZIAGYGMSSA-N 1 2 302.426 2.865 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623512 399008097 /nfs/dbraw/zinc/00/80/97/399008097.db2.gz RZSHJORMSJWKIK-KGLIPLIRSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623512 399008100 /nfs/dbraw/zinc/00/81/00/399008100.db2.gz RZSHJORMSJWKIK-KGLIPLIRSA-N 1 2 306.431 2.777 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000595629645 399010654 /nfs/dbraw/zinc/01/06/54/399010654.db2.gz HWGMNHXLFSIODJ-UHFFFAOYSA-N 1 2 307.422 2.793 20 30 DFEDLO Cc1nc(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000595630033 399010728 /nfs/dbraw/zinc/01/07/28/399010728.db2.gz RESWYQBWYHWVSV-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC1(C#N)CCCCC1 ZINC000595643501 399016456 /nfs/dbraw/zinc/01/64/56/399016456.db2.gz OMHXPHBOSXJWOP-CYBMUJFWSA-N 1 2 303.410 2.737 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583089 399021181 /nfs/dbraw/zinc/02/11/81/399021181.db2.gz QHEZBJYQUUMWNV-YPMHNXCESA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583089 399021187 /nfs/dbraw/zinc/02/11/87/399021187.db2.gz QHEZBJYQUUMWNV-YPMHNXCESA-N 1 2 321.446 2.814 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000079182356 399023173 /nfs/dbraw/zinc/02/31/73/399023173.db2.gz OJRMCEQMDPTTIE-UHFFFAOYSA-N 1 2 302.422 2.811 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674690 399029600 /nfs/dbraw/zinc/02/96/00/399029600.db2.gz KIBOTZCTIVAMMU-GOEBONIOSA-N 1 2 315.417 2.957 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674690 399029602 /nfs/dbraw/zinc/02/96/02/399029602.db2.gz KIBOTZCTIVAMMU-GOEBONIOSA-N 1 2 315.417 2.957 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000599614069 399029767 /nfs/dbraw/zinc/02/97/67/399029767.db2.gz QTQNPJZZSKOYTF-CJNGLKHVSA-N 1 2 308.385 2.503 20 30 DFEDLO CCC[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079298305 399031942 /nfs/dbraw/zinc/03/19/42/399031942.db2.gz XPABTYUHWKBXTG-MSOLQXFVSA-N 1 2 311.429 2.639 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000595689562 399036872 /nfs/dbraw/zinc/03/68/72/399036872.db2.gz MNBXSOFKLPTZFS-JQWIXIFHSA-N 1 2 314.311 2.590 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000091918329 193125719 /nfs/dbraw/zinc/12/57/19/193125719.db2.gz JGOSHDQBDOXKAA-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1c(F)cccc1F ZINC000595692232 399038041 /nfs/dbraw/zinc/03/80/41/399038041.db2.gz MSGXPJGLXAADKX-WDMOLILDSA-N 1 2 307.344 2.964 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)c([N+](=O)[O-])cc1F ZINC000595694095 399038356 /nfs/dbraw/zinc/03/83/56/399038356.db2.gz LGWNHVZXNBFXLT-GWCFXTLKSA-N 1 2 307.325 2.914 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000595696979 399040995 /nfs/dbraw/zinc/04/09/95/399040995.db2.gz CMOVKKZSLABXSD-NILFDRSVSA-N 1 2 319.355 2.742 20 30 DFEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOc1ccccc1C#N ZINC000599649835 399042966 /nfs/dbraw/zinc/04/29/66/399042966.db2.gz RMLLHKZLFCUHAW-UHFFFAOYSA-N 1 2 304.390 2.647 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000595698968 399043126 /nfs/dbraw/zinc/04/31/26/399043126.db2.gz PYOWFYZXDHLEJS-KBPBESRZSA-N 1 2 315.442 2.797 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595701820 399043909 /nfs/dbraw/zinc/04/39/09/399043909.db2.gz GBPYXAPCLZNYHB-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595701820 399043917 /nfs/dbraw/zinc/04/39/17/399043917.db2.gz GBPYXAPCLZNYHB-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595698227 399041341 /nfs/dbraw/zinc/04/13/41/399041341.db2.gz NBXNGQSKZLZDFO-XHDPSFHLSA-N 1 2 317.345 2.633 20 30 DFEDLO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000595696898 399041434 /nfs/dbraw/zinc/04/14/34/399041434.db2.gz FJMVTAAMJXZILB-NVXWUHKLSA-N 1 2 310.401 2.605 20 30 DFEDLO C[C@@H](C#N)N(CC1(C[N@H+]([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710049 399049024 /nfs/dbraw/zinc/04/90/24/399049024.db2.gz MRRQUBXCYOENBR-GJZGRUSLSA-N 1 2 300.450 2.910 20 30 DFEDLO C[C@@H](C#N)N(CC1(C[N@@H+]([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710049 399049031 /nfs/dbraw/zinc/04/90/31/399049031.db2.gz MRRQUBXCYOENBR-GJZGRUSLSA-N 1 2 300.450 2.910 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1([NH2+]CCCCC(C)(C)C#N)CCOC1 ZINC000595728251 399057338 /nfs/dbraw/zinc/05/73/38/399057338.db2.gz NQYPZEWKGYEWJQ-KRWDZBQOSA-N 1 2 310.438 2.797 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@H]12 ZINC000595733075 399061989 /nfs/dbraw/zinc/06/19/89/399061989.db2.gz QMZSYTZYYLCRHH-MCIONIFRSA-N 1 2 319.430 2.568 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@H]12 ZINC000595733075 399061991 /nfs/dbraw/zinc/06/19/91/399061991.db2.gz QMZSYTZYYLCRHH-MCIONIFRSA-N 1 2 319.430 2.568 20 30 DFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000599689898 399066100 /nfs/dbraw/zinc/06/61/00/399066100.db2.gz LLOZIWCPGFZQKC-MRXNPFEDSA-N 1 2 305.809 2.702 20 30 DFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000599689898 399066106 /nfs/dbraw/zinc/06/61/06/399066106.db2.gz LLOZIWCPGFZQKC-MRXNPFEDSA-N 1 2 305.809 2.702 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450532 399073456 /nfs/dbraw/zinc/07/34/56/399073456.db2.gz FGOZPROCUHUFGW-CQSZACIVSA-N 1 2 302.393 2.945 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000606450532 399073461 /nfs/dbraw/zinc/07/34/61/399073461.db2.gz FGOZPROCUHUFGW-CQSZACIVSA-N 1 2 302.393 2.945 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C=CCCC3)CC2)cc1 ZINC000275184217 212180950 /nfs/dbraw/zinc/18/09/50/212180950.db2.gz XIRYICJEFCKYQN-KRWDZBQOSA-N 1 2 323.440 2.949 20 30 DFEDLO N#CCSc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000080001592 399106293 /nfs/dbraw/zinc/10/62/93/399106293.db2.gz ABSKLYIDBVXJFG-UHFFFAOYSA-N 1 2 312.398 2.539 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362420 193238352 /nfs/dbraw/zinc/23/83/52/193238352.db2.gz MQKBSUGKHMIBGX-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362420 193238353 /nfs/dbraw/zinc/23/83/53/193238353.db2.gz MQKBSUGKHMIBGX-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093440547 193253272 /nfs/dbraw/zinc/25/32/72/193253272.db2.gz DKINXZALSVHHGV-UHFFFAOYSA-N 1 2 315.348 2.621 20 30 DFEDLO N#CCNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000060336381 399122761 /nfs/dbraw/zinc/12/27/61/399122761.db2.gz METLOUCEWKHKSI-UHFFFAOYSA-N 1 2 322.393 2.880 20 30 DFEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)sc1C ZINC000093688891 193290021 /nfs/dbraw/zinc/29/00/21/193290021.db2.gz RSQUZCZFQHXBOY-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810094 193310529 /nfs/dbraw/zinc/31/05/29/193310529.db2.gz DUVXJGHIXBYOTK-KRWDZBQOSA-N 1 2 310.401 2.554 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810094 193310531 /nfs/dbraw/zinc/31/05/31/193310531.db2.gz DUVXJGHIXBYOTK-KRWDZBQOSA-N 1 2 310.401 2.554 20 30 DFEDLO CCc1cnc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)s1 ZINC000093807560 193310952 /nfs/dbraw/zinc/31/09/52/193310952.db2.gz VHIVHBCXERJBBV-UHFFFAOYSA-N 1 2 311.414 2.857 20 30 DFEDLO C/C(=C\c1ccccc1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000178856301 399127764 /nfs/dbraw/zinc/12/77/64/399127764.db2.gz BQFGPBWRTKPURX-FBMGVBCBSA-N 1 2 313.445 2.638 20 30 DFEDLO C/C(=C\c1ccccc1)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000178856301 399127771 /nfs/dbraw/zinc/12/77/71/399127771.db2.gz BQFGPBWRTKPURX-FBMGVBCBSA-N 1 2 313.445 2.638 20 30 DFEDLO C/C(=C\c1ccccc1)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000178856301 399127777 /nfs/dbraw/zinc/12/77/77/399127777.db2.gz BQFGPBWRTKPURX-FBMGVBCBSA-N 1 2 313.445 2.638 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000614060979 399144063 /nfs/dbraw/zinc/14/40/63/399144063.db2.gz OOAVQSCZXVZJAM-ZYHUDNBSSA-N 1 2 311.307 2.702 20 30 DFEDLO N#Cc1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)c(CO)c1 ZINC000600781404 399144265 /nfs/dbraw/zinc/14/42/65/399144265.db2.gz ZIXFUWRXDNGRRC-MRXNPFEDSA-N 1 2 309.369 2.703 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168171 399167791 /nfs/dbraw/zinc/16/77/91/399167791.db2.gz WDFAIHWAONLUDV-HKZYLEAXSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168171 399167792 /nfs/dbraw/zinc/16/77/92/399167792.db2.gz WDFAIHWAONLUDV-HKZYLEAXSA-N 1 2 304.459 2.829 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000194491991 399179031 /nfs/dbraw/zinc/17/90/31/399179031.db2.gz DXGSOXJRNJIUKI-UHFFFAOYSA-N 1 2 311.307 2.922 20 30 DFEDLO CC(C)C[C@@H](CNc1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000063508476 399193267 /nfs/dbraw/zinc/19/32/67/399193267.db2.gz QQADQHCKSYOINK-AWEZNQCLSA-N 1 2 323.387 2.995 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000596157206 399195587 /nfs/dbraw/zinc/19/55/87/399195587.db2.gz ZYCAWWNUFYIVCX-AWEZNQCLSA-N 1 2 304.357 2.956 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000016591554 182050722 /nfs/dbraw/zinc/05/07/22/182050722.db2.gz PTCBYARLQVHJGB-LBPRGKRZSA-N 1 2 311.307 2.771 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000016591554 182050723 /nfs/dbraw/zinc/05/07/23/182050723.db2.gz PTCBYARLQVHJGB-LBPRGKRZSA-N 1 2 311.307 2.771 20 30 DFEDLO Cn1c2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2[nH+]c1C1CC1 ZINC000282946304 217343551 /nfs/dbraw/zinc/34/35/51/217343551.db2.gz PYUIDOKYRHXMQX-UHFFFAOYSA-N 1 2 319.368 2.580 20 30 DFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000614395992 399224197 /nfs/dbraw/zinc/22/41/97/399224197.db2.gz KXXJZQREYIKZTJ-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000192225385 335023908 /nfs/dbraw/zinc/02/39/08/335023908.db2.gz OOSUSGQEDLSGJW-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000192225385 335023910 /nfs/dbraw/zinc/02/39/10/335023910.db2.gz OOSUSGQEDLSGJW-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000192239410 335023996 /nfs/dbraw/zinc/02/39/96/335023996.db2.gz PTRRSKMHMGPFBK-UHFFFAOYSA-N 1 2 300.383 2.662 20 30 DFEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000192239410 335023997 /nfs/dbraw/zinc/02/39/97/335023997.db2.gz PTRRSKMHMGPFBK-UHFFFAOYSA-N 1 2 300.383 2.662 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)s1 ZINC000267475297 206095338 /nfs/dbraw/zinc/09/53/38/206095338.db2.gz ZEOHDRDLZOHKQO-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C#CC[N@@H+](C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000192238541 335024253 /nfs/dbraw/zinc/02/42/53/335024253.db2.gz WKVQDPMBIRAUBL-UHFFFAOYSA-N 1 2 300.383 2.662 20 30 DFEDLO C#CC[N@H+](C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000192238541 335024255 /nfs/dbraw/zinc/02/42/55/335024255.db2.gz WKVQDPMBIRAUBL-UHFFFAOYSA-N 1 2 300.383 2.662 20 30 DFEDLO CCC1(C[NH2+][C@H](C(=O)OC)c2cccc(C#N)c2)CCOCC1 ZINC000267542627 206135117 /nfs/dbraw/zinc/13/51/17/206135117.db2.gz ADLYFMMFKPTTIE-INIZCTEOSA-N 1 2 316.401 2.569 20 30 DFEDLO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000192138973 335026335 /nfs/dbraw/zinc/02/63/35/335026335.db2.gz VRPJDYACPOHEQY-QGZVFWFLSA-N 1 2 306.413 2.913 20 30 DFEDLO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000192138973 335026336 /nfs/dbraw/zinc/02/63/36/335026336.db2.gz VRPJDYACPOHEQY-QGZVFWFLSA-N 1 2 306.413 2.913 20 30 DFEDLO N#Cc1cc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ncn1 ZINC000601187681 399250623 /nfs/dbraw/zinc/25/06/23/399250623.db2.gz VKUTWEAVAZJTLX-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]1c1ccco1 ZINC000601210713 399255614 /nfs/dbraw/zinc/25/56/14/399255614.db2.gz SJKSUFXMEVALFM-CQSZACIVSA-N 1 2 322.372 2.920 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000618981189 399269432 /nfs/dbraw/zinc/26/94/32/399269432.db2.gz RLQQDQZZZPNFDK-DZGCQCFKSA-N 1 2 322.347 2.847 20 30 DFEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000267960068 206359712 /nfs/dbraw/zinc/35/97/12/206359712.db2.gz WRGWIDBRXSDPNY-CQSZACIVSA-N 1 2 323.396 2.993 20 30 DFEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000267960068 206359717 /nfs/dbraw/zinc/35/97/17/206359717.db2.gz WRGWIDBRXSDPNY-CQSZACIVSA-N 1 2 323.396 2.993 20 30 DFEDLO C[C@@H](c1ncc(-c2ccccc2)n1C)[NH+]1CCN(CCC#N)CC1 ZINC000601316955 399276277 /nfs/dbraw/zinc/27/62/77/399276277.db2.gz SEQULXAKXCOLAB-INIZCTEOSA-N 1 2 323.444 2.679 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000614997641 399289488 /nfs/dbraw/zinc/28/94/88/399289488.db2.gz WYMUCKGRWFWOJO-SFHVURJKSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000614997641 399289489 /nfs/dbraw/zinc/28/94/89/399289489.db2.gz WYMUCKGRWFWOJO-SFHVURJKSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(CC#N)c3ccccc3)[nH+]c12 ZINC000608847789 399298951 /nfs/dbraw/zinc/29/89/51/399298951.db2.gz FPPHHRSISNEZJD-UHFFFAOYSA-N 1 2 304.353 2.742 20 30 DFEDLO N#CCN(Cc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000609203709 399309239 /nfs/dbraw/zinc/30/92/39/399309239.db2.gz OQOMEYDFFGJFPA-UHFFFAOYSA-N 1 2 305.179 2.585 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609540132 399321921 /nfs/dbraw/zinc/32/19/21/399321921.db2.gz QSIWUNJVNBXYTG-LBPRGKRZSA-N 1 2 301.371 2.641 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540132 399321922 /nfs/dbraw/zinc/32/19/22/399321922.db2.gz QSIWUNJVNBXYTG-LBPRGKRZSA-N 1 2 301.371 2.641 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N(Cc1cccs1)C1CC1 ZINC000609586124 399325325 /nfs/dbraw/zinc/32/53/25/399325325.db2.gz IMQFKQUBHWGUOM-UHFFFAOYSA-N 1 2 324.413 2.970 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615613 399326568 /nfs/dbraw/zinc/32/65/68/399326568.db2.gz HHPMFWYPMBNGOV-MFKMUULPSA-N 1 2 311.307 2.702 20 30 DFEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000609676549 399329600 /nfs/dbraw/zinc/32/96/00/399329600.db2.gz ODWSUZZWXHIWJB-JGFGOQIWSA-N 1 2 309.369 2.591 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCc3sccc3C2)cc1 ZINC000609671901 399329747 /nfs/dbraw/zinc/32/97/47/399329747.db2.gz GNZHRBIQNYKESF-INIZCTEOSA-N 1 2 311.410 2.595 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCc3sccc3C2)cc1 ZINC000609671901 399329749 /nfs/dbraw/zinc/32/97/49/399329749.db2.gz GNZHRBIQNYKESF-INIZCTEOSA-N 1 2 311.410 2.595 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286825801 335040081 /nfs/dbraw/zinc/04/00/81/335040081.db2.gz LRBGLXDJWAYMHT-ZFWWWQNUSA-N 1 2 305.422 2.606 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004231 399338817 /nfs/dbraw/zinc/33/88/17/399338817.db2.gz GJNSMZOJVYTIRA-ZIAGYGMSSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004231 399338819 /nfs/dbraw/zinc/33/88/19/399338819.db2.gz GJNSMZOJVYTIRA-ZIAGYGMSSA-N 1 2 317.408 2.753 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601823476 399343668 /nfs/dbraw/zinc/34/36/68/399343668.db2.gz XABJWBFEZIQJBZ-GDBMZVCRSA-N 1 2 310.401 2.886 20 30 DFEDLO C=CCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273992177 211249038 /nfs/dbraw/zinc/24/90/38/211249038.db2.gz OOCHXQNTBGRHDA-UHFFFAOYSA-N 1 2 322.206 2.988 20 30 DFEDLO N#CC[C@H](CC(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000619434371 399346010 /nfs/dbraw/zinc/34/60/10/399346010.db2.gz DKBUPVWLXGWGIM-MRXNPFEDSA-N 1 2 321.380 2.759 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615531642 399348793 /nfs/dbraw/zinc/34/87/93/399348793.db2.gz NMIQPEZOSAHEIK-MRXNPFEDSA-N 1 2 313.336 2.557 20 30 DFEDLO C[C@]1(c2ccccc2)C[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280382 399353281 /nfs/dbraw/zinc/35/32/81/399353281.db2.gz ODGPTRSCZPLTFT-MAUKXSAKSA-N 1 2 318.384 2.882 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCc2c([nH+]cn2C)C1 ZINC000610277450 399352905 /nfs/dbraw/zinc/35/29/05/399352905.db2.gz JBABCINQJJSXOV-UHFFFAOYSA-N 1 2 321.359 2.850 20 30 DFEDLO N#CCCN(C(=O)C[NH+]1CCC(F)(F)CC1)c1ccccc1 ZINC000619516079 399356727 /nfs/dbraw/zinc/35/67/27/399356727.db2.gz KKTMOFKLVJACFZ-UHFFFAOYSA-N 1 2 307.344 2.664 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000619500910 399354499 /nfs/dbraw/zinc/35/44/99/399354499.db2.gz QGEKOSPQYSHMFE-MWLCHTKSSA-N 1 2 324.310 2.517 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ccc(C#N)nn2)CC1 ZINC000619503021 399354524 /nfs/dbraw/zinc/35/45/24/399354524.db2.gz VTQZHXZDEKSSAE-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCc1ccccc1F ZINC000619504067 399354609 /nfs/dbraw/zinc/35/46/09/399354609.db2.gz HUQRTYZYBHAUIM-UHFFFAOYSA-N 1 2 324.363 2.924 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000610342554 399358451 /nfs/dbraw/zinc/35/84/51/399358451.db2.gz FFAYKTIJMKMOEL-SMDDNHRTSA-N 1 2 323.343 2.675 20 30 DFEDLO C=C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)OC ZINC000619700521 399379701 /nfs/dbraw/zinc/37/97/01/399379701.db2.gz AALNNJXYJMXBCF-OAHLLOKOSA-N 1 2 323.820 2.705 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615735877 399378668 /nfs/dbraw/zinc/37/86/68/399378668.db2.gz YYDAXBDFEKYBNQ-KRWDZBQOSA-N 1 2 322.412 2.754 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000619716252 399381611 /nfs/dbraw/zinc/38/16/11/399381611.db2.gz CVRPIGPQRKFABM-AWEZNQCLSA-N 1 2 311.328 2.536 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000619720094 399382194 /nfs/dbraw/zinc/38/21/94/399382194.db2.gz ACUDCYZQZZNSTE-INIZCTEOSA-N 1 2 307.365 2.534 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000619719007 399382102 /nfs/dbraw/zinc/38/21/02/399382102.db2.gz MVKWNOUKWHEDTI-OCCSQVGLSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000619719007 399382104 /nfs/dbraw/zinc/38/21/04/399382104.db2.gz MVKWNOUKWHEDTI-OCCSQVGLSA-N 1 2 320.458 2.929 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000619724595 399383419 /nfs/dbraw/zinc/38/34/19/399383419.db2.gz KCQVAGIORNITJU-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000619724595 399383425 /nfs/dbraw/zinc/38/34/25/399383425.db2.gz KCQVAGIORNITJU-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO N#Cc1c(F)cccc1CNc1cc(CSCCO)cc[nH+]1 ZINC000602014602 399384609 /nfs/dbraw/zinc/38/46/09/399384609.db2.gz FORJVVNVNUVKNO-UHFFFAOYSA-N 1 2 317.389 2.930 20 30 DFEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(F)c1C#N ZINC000602018840 399385204 /nfs/dbraw/zinc/38/52/04/399385204.db2.gz AIOKLWQAZQYKIK-UHFFFAOYSA-N 1 2 312.270 2.739 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1Cl ZINC000619746907 399386467 /nfs/dbraw/zinc/38/64/67/399386467.db2.gz UCELOZNTEFRFNZ-HNNXBMFYSA-N 1 2 317.751 2.667 20 30 DFEDLO CC(C)=C(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602034001 399388018 /nfs/dbraw/zinc/38/80/18/399388018.db2.gz QZAQUFQMMNJNDW-UHFFFAOYSA-N 1 2 311.429 2.949 20 30 DFEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602058082 399390379 /nfs/dbraw/zinc/39/03/79/399390379.db2.gz OIHKOMZTLQYMQL-JKSUJKDBSA-N 1 2 314.364 2.990 20 30 DFEDLO CCc1c[nH]c(CC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000602082490 399392591 /nfs/dbraw/zinc/39/25/91/399392591.db2.gz FHXGTCORYRYYIC-CYBMUJFWSA-N 1 2 310.401 2.996 20 30 DFEDLO CCc1c[nH]c(CC(=O)Nc2cc(C#N)ccc2OC(C)C)[nH+]1 ZINC000602086142 399392824 /nfs/dbraw/zinc/39/28/24/399392824.db2.gz ZSWVZMDTRCTLNS-UHFFFAOYSA-N 1 2 312.373 2.812 20 30 DFEDLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH+]1 ZINC000602103800 399394837 /nfs/dbraw/zinc/39/48/37/399394837.db2.gz CTAKKESDIXXQNJ-IAGOWNOFSA-N 1 2 322.412 2.813 20 30 DFEDLO CC(C)C[C@H](C(=O)N1CCc2c1cccc2C#N)n1cc[nH+]c1 ZINC000602168414 399404177 /nfs/dbraw/zinc/40/41/77/399404177.db2.gz RMVWDLVWIZQMIZ-QGZVFWFLSA-N 1 2 308.385 2.931 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)cc1 ZINC000602174322 399405171 /nfs/dbraw/zinc/40/51/71/399405171.db2.gz IPAHHJNETDTUOX-HUUCEWRRSA-N 1 2 306.369 2.580 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)cc1 ZINC000602174322 399405175 /nfs/dbraw/zinc/40/51/75/399405175.db2.gz IPAHHJNETDTUOX-HUUCEWRRSA-N 1 2 306.369 2.580 20 30 DFEDLO CCc1c[nH]c(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)[nH+]1 ZINC000602172741 399405190 /nfs/dbraw/zinc/40/51/90/399405190.db2.gz AUECWSOGWPLKND-UHFFFAOYSA-N 1 2 308.385 2.582 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCCC(F)(F)C1 ZINC000610856248 399412521 /nfs/dbraw/zinc/41/25/21/399412521.db2.gz KSOGCPJXEXMQMM-JTQLQIEISA-N 1 2 306.320 2.730 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sc2ncccc2c1Cl ZINC000602331367 399425882 /nfs/dbraw/zinc/42/58/82/399425882.db2.gz CGFUWDOWSXBJCJ-CQSZACIVSA-N 1 2 322.821 2.523 20 30 DFEDLO N#CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCCCC1 ZINC000602341526 399427419 /nfs/dbraw/zinc/42/74/19/399427419.db2.gz QATVZLABCPAJJM-OAHLLOKOSA-N 1 2 315.421 2.531 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 ZINC000611037837 399429927 /nfs/dbraw/zinc/42/99/27/399429927.db2.gz QPFBUZIMJBKQLJ-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 ZINC000611037837 399429930 /nfs/dbraw/zinc/42/99/30/399429930.db2.gz QPFBUZIMJBKQLJ-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(F)c1 ZINC000602435821 399442996 /nfs/dbraw/zinc/44/29/96/399442996.db2.gz LJMVEKLVDHXOGC-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1CCC(F)(F)CC1 ZINC000611182505 399443072 /nfs/dbraw/zinc/44/30/72/399443072.db2.gz BTIUSGZMPYIEFG-UHFFFAOYSA-N 1 2 306.320 2.730 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180459 399443188 /nfs/dbraw/zinc/44/31/88/399443188.db2.gz XWJUPRUAUUGMQX-NSHDSACASA-N 1 2 305.328 2.616 20 30 DFEDLO N#C[C@@H]1C[N@H+](CC2CCSCC2)CCN1Cc1ccccc1 ZINC000602428710 399441522 /nfs/dbraw/zinc/44/15/22/399441522.db2.gz QRUWIPQYUPQOFW-GOSISDBHSA-N 1 2 315.486 2.840 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CC2CCSCC2)CCN1Cc1ccccc1 ZINC000602428710 399441525 /nfs/dbraw/zinc/44/15/25/399441525.db2.gz QRUWIPQYUPQOFW-GOSISDBHSA-N 1 2 315.486 2.840 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000620169363 399450896 /nfs/dbraw/zinc/45/08/96/399450896.db2.gz QKIUBDTUSCHZSQ-ZDUSSCGKSA-N 1 2 323.462 2.906 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000620169363 399450898 /nfs/dbraw/zinc/45/08/98/399450898.db2.gz QKIUBDTUSCHZSQ-ZDUSSCGKSA-N 1 2 323.462 2.906 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602477382 399455990 /nfs/dbraw/zinc/45/59/90/399455990.db2.gz VFPJAOVLAIXINO-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602477382 399455991 /nfs/dbraw/zinc/45/59/91/399455991.db2.gz VFPJAOVLAIXINO-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO Cc1nc(C2([NH2+]CCOc3ccc(C#N)cc3)CCCC2)no1 ZINC000063511587 184284043 /nfs/dbraw/zinc/28/40/43/184284043.db2.gz JFSMOKQZBYLKGQ-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCSC[C@H]2C)c1C#N ZINC000611348387 399464742 /nfs/dbraw/zinc/46/47/42/399464742.db2.gz WJTNCMBLOIODQV-CYBMUJFWSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCSC[C@H]2C)c1C#N ZINC000611348387 399464746 /nfs/dbraw/zinc/46/47/46/399464746.db2.gz WJTNCMBLOIODQV-CYBMUJFWSA-N 1 2 312.442 2.990 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000287363653 335045742 /nfs/dbraw/zinc/04/57/42/335045742.db2.gz IGDQITXHEFEHTQ-HIFRSBDPSA-N 1 2 320.437 2.635 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052164119 425883964 /nfs/dbraw/zinc/88/39/64/425883964.db2.gz MTABPHGGQAPAJZ-GOSISDBHSA-N 1 2 317.433 2.572 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052164119 425883965 /nfs/dbraw/zinc/88/39/65/425883965.db2.gz MTABPHGGQAPAJZ-GOSISDBHSA-N 1 2 317.433 2.572 20 30 DFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC=CCC1 ZINC000611517127 399486637 /nfs/dbraw/zinc/48/66/37/399486637.db2.gz ASULQTXTOYFKPE-OAHLLOKOSA-N 1 2 313.401 2.592 20 30 DFEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC=CCC1 ZINC000611517127 399486639 /nfs/dbraw/zinc/48/66/39/399486639.db2.gz ASULQTXTOYFKPE-OAHLLOKOSA-N 1 2 313.401 2.592 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)n1 ZINC000602618285 399491810 /nfs/dbraw/zinc/49/18/10/399491810.db2.gz SDHZXOZYOQOQMA-UHFFFAOYSA-N 1 2 303.369 2.928 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000611552282 399490486 /nfs/dbraw/zinc/49/04/86/399490486.db2.gz UTVWFHRZZSJFKU-SFHVURJKSA-N 1 2 310.376 2.603 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000611552281 399490576 /nfs/dbraw/zinc/49/05/76/399490576.db2.gz UTVWFHRZZSJFKU-GOSISDBHSA-N 1 2 310.376 2.603 20 30 DFEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2cccc(C#N)n2)no1 ZINC000602623658 399493506 /nfs/dbraw/zinc/49/35/06/399493506.db2.gz NAAQSHTXYHCAEH-UHFFFAOYSA-N 1 2 300.362 2.546 20 30 DFEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611576948 399495636 /nfs/dbraw/zinc/49/56/36/399495636.db2.gz FNVJIRBNSKLLBU-QGZVFWFLSA-N 1 2 311.385 2.729 20 30 DFEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611576948 399495638 /nfs/dbraw/zinc/49/56/38/399495638.db2.gz FNVJIRBNSKLLBU-QGZVFWFLSA-N 1 2 311.385 2.729 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000602644369 399500969 /nfs/dbraw/zinc/50/09/69/399500969.db2.gz MVHNUPIVVDZMSF-IWCQGFGOSA-N 1 2 303.402 2.512 20 30 DFEDLO CN(C)C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602649986 399502171 /nfs/dbraw/zinc/50/21/71/399502171.db2.gz BCAOFNKUGHMLSF-KRWDZBQOSA-N 1 2 314.820 2.999 20 30 DFEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602651495 399502705 /nfs/dbraw/zinc/50/27/05/399502705.db2.gz IKQRSNIGSIXIED-KRWDZBQOSA-N 1 2 321.428 2.824 20 30 DFEDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000616785391 399512887 /nfs/dbraw/zinc/51/28/87/399512887.db2.gz QIQBMOVRILWQBX-UHFFFAOYSA-N 1 2 314.389 2.660 20 30 DFEDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000616785391 399512891 /nfs/dbraw/zinc/51/28/91/399512891.db2.gz QIQBMOVRILWQBX-UHFFFAOYSA-N 1 2 314.389 2.660 20 30 DFEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)OCC ZINC000270052779 208109427 /nfs/dbraw/zinc/10/94/27/208109427.db2.gz RPNSQDFBMXEYGG-AWEZNQCLSA-N 1 2 300.362 2.577 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc(C#N)c3)c2cc1C ZINC000270117181 208175128 /nfs/dbraw/zinc/17/51/28/208175128.db2.gz MCJLNWVWIHQOKF-INIZCTEOSA-N 1 2 321.380 2.965 20 30 DFEDLO C=CCS(=O)(=O)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000272900967 210288691 /nfs/dbraw/zinc/28/86/91/210288691.db2.gz ZTYRLFLDVZTASQ-UHFFFAOYSA-N 1 2 311.451 2.736 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771157 399564806 /nfs/dbraw/zinc/56/48/06/399564806.db2.gz DZDMJZUWQKUCHO-ZWNOBZJWSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771157 399564810 /nfs/dbraw/zinc/56/48/10/399564810.db2.gz DZDMJZUWQKUCHO-ZWNOBZJWSA-N 1 2 317.216 2.825 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602779587 399568123 /nfs/dbraw/zinc/56/81/23/399568123.db2.gz JEARAXOZWBMBQS-MRXNPFEDSA-N 1 2 300.402 2.786 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602779587 399568127 /nfs/dbraw/zinc/56/81/27/399568127.db2.gz JEARAXOZWBMBQS-MRXNPFEDSA-N 1 2 300.402 2.786 20 30 DFEDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000612070140 399571762 /nfs/dbraw/zinc/57/17/62/399571762.db2.gz LMDSFBPFNQFDDZ-UHFFFAOYSA-N 1 2 318.417 2.543 20 30 DFEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000612070140 399571763 /nfs/dbraw/zinc/57/17/63/399571763.db2.gz LMDSFBPFNQFDDZ-UHFFFAOYSA-N 1 2 318.417 2.543 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602799204 399579825 /nfs/dbraw/zinc/57/98/25/399579825.db2.gz BQPZEBUNZFQDJI-LBPRGKRZSA-N 1 2 304.346 2.846 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602799204 399579826 /nfs/dbraw/zinc/57/98/26/399579826.db2.gz BQPZEBUNZFQDJI-LBPRGKRZSA-N 1 2 304.346 2.846 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164477 399597188 /nfs/dbraw/zinc/59/71/88/399597188.db2.gz GNLYMAAASXSKTF-VQIMIIECSA-N 1 2 313.445 2.968 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164477 399597192 /nfs/dbraw/zinc/59/71/92/399597192.db2.gz GNLYMAAASXSKTF-VQIMIIECSA-N 1 2 313.445 2.968 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167041 399598305 /nfs/dbraw/zinc/59/83/05/399598305.db2.gz GHACKNXMVFEYLP-GDBMZVCRSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167041 399598309 /nfs/dbraw/zinc/59/83/09/399598309.db2.gz GHACKNXMVFEYLP-GDBMZVCRSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167043 399598319 /nfs/dbraw/zinc/59/83/19/399598319.db2.gz GHACKNXMVFEYLP-HOCLYGCPSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167043 399598323 /nfs/dbraw/zinc/59/83/23/399598323.db2.gz GHACKNXMVFEYLP-HOCLYGCPSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@H]1C[NH+](Cc2ncc(-c3cccs3)o2)C[C@H](C)N1CC#N ZINC000602855909 399604341 /nfs/dbraw/zinc/60/43/41/399604341.db2.gz JJLHWSQDNPDMBH-STQMWFEESA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ncc(-c3ccccc3)o2)C[C@@H](C)N1CC#N ZINC000602858040 399604989 /nfs/dbraw/zinc/60/49/89/399604989.db2.gz XXHWGVMSCQACCV-HUUCEWRRSA-N 1 2 310.401 2.760 20 30 DFEDLO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)CC#N)cs2)c1 ZINC000602861105 399606125 /nfs/dbraw/zinc/60/61/25/399606125.db2.gz FVLNBQIVGKFZEO-NSHDSACASA-N 1 2 315.398 2.988 20 30 DFEDLO C[C@@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000602860980 399606213 /nfs/dbraw/zinc/60/62/13/399606213.db2.gz FAVVRURKEAMNMV-VIFPVBQESA-N 1 2 311.179 2.612 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c(Br)c1 ZINC000602865354 399607089 /nfs/dbraw/zinc/60/70/89/399607089.db2.gz XNRJOCJCQXXGOV-WDEREUQCSA-N 1 2 324.222 2.976 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000602866123 399608927 /nfs/dbraw/zinc/60/89/27/399608927.db2.gz YPFFMMVTDRFSDZ-GHMZBOCLSA-N 1 2 324.222 2.518 20 30 DFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602868177 399609066 /nfs/dbraw/zinc/60/90/66/399609066.db2.gz HRYYJQYSMSYWFL-OLZOCXBDSA-N 1 2 316.430 2.769 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000602870572 399610087 /nfs/dbraw/zinc/61/00/87/399610087.db2.gz UNQQEBGVFFXPRJ-ZDUSSCGKSA-N 1 2 323.400 2.580 20 30 DFEDLO C#C[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)C(C)(C)C ZINC000288678557 335054337 /nfs/dbraw/zinc/05/43/37/335054337.db2.gz UDLFTCCFYDUOPH-HNNXBMFYSA-N 1 2 318.465 2.915 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3noc(C4CCC4)n3)CC2)nc1 ZINC000602905628 399621829 /nfs/dbraw/zinc/62/18/29/399621829.db2.gz HGHGMKHJJUEATC-UHFFFAOYSA-N 1 2 323.400 2.983 20 30 DFEDLO CC(C)c1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602905767 399621669 /nfs/dbraw/zinc/62/16/69/399621669.db2.gz BECPUPJEOXOZKP-UHFFFAOYSA-N 1 2 310.405 2.574 20 30 DFEDLO CCCn1c(C)nnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908243 399623211 /nfs/dbraw/zinc/62/32/11/399623211.db2.gz PLJXBGMXYKXVGK-UHFFFAOYSA-N 1 2 324.432 2.643 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(SC)CC1 ZINC000602923158 399627994 /nfs/dbraw/zinc/62/79/94/399627994.db2.gz QVVPUUVRFIACPH-HNNXBMFYSA-N 1 2 304.415 2.600 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000624292547 399628107 /nfs/dbraw/zinc/62/81/07/399628107.db2.gz UXTXSMPUJGVUAG-OAHLLOKOSA-N 1 2 312.417 2.793 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924792 399629334 /nfs/dbraw/zinc/62/93/34/399629334.db2.gz DGBINKSEQAQVAC-TZMCWYRMSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924792 399629340 /nfs/dbraw/zinc/62/93/40/399629340.db2.gz DGBINKSEQAQVAC-TZMCWYRMSA-N 1 2 301.390 2.613 20 30 DFEDLO COCc1ncc2c(n1)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000602925886 399630190 /nfs/dbraw/zinc/63/01/90/399630190.db2.gz PCFZWRLNSRQTKO-CYBMUJFWSA-N 1 2 308.385 2.614 20 30 DFEDLO COCc1ncc2c(n1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000602925886 399630193 /nfs/dbraw/zinc/63/01/93/399630193.db2.gz PCFZWRLNSRQTKO-CYBMUJFWSA-N 1 2 308.385 2.614 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289844349 221264678 /nfs/dbraw/zinc/26/46/78/221264678.db2.gz PKOLVWFCKZUIGX-NEPJUHHUSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289844349 221264681 /nfs/dbraw/zinc/26/46/81/221264681.db2.gz PKOLVWFCKZUIGX-NEPJUHHUSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603019487 399659594 /nfs/dbraw/zinc/65/95/94/399659594.db2.gz BAFADHIBIFHNIV-LBPRGKRZSA-N 1 2 311.389 2.924 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603019485 399659747 /nfs/dbraw/zinc/65/97/47/399659747.db2.gz BAFADHIBIFHNIV-GFCCVEGCSA-N 1 2 311.389 2.924 20 30 DFEDLO N#CC1(NC(=O)C[NH2+][C@H](CF)c2ccc(F)cc2)CCCCC1 ZINC000603024257 399660706 /nfs/dbraw/zinc/66/07/06/399660706.db2.gz XFOPHHMDFKXHBU-OAHLLOKOSA-N 1 2 321.371 2.769 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000603069974 399671217 /nfs/dbraw/zinc/67/12/17/399671217.db2.gz AAXHCYIOXNTLGO-GFCCVEGCSA-N 1 2 313.336 2.593 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OC ZINC000612406023 399644582 /nfs/dbraw/zinc/64/45/82/399644582.db2.gz GNSBMVLVOBDGGV-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OC ZINC000612406023 399644585 /nfs/dbraw/zinc/64/45/85/399644585.db2.gz GNSBMVLVOBDGGV-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000624341962 399646259 /nfs/dbraw/zinc/64/62/59/399646259.db2.gz VQQQHGUZMABQDO-OAHLLOKOSA-N 1 2 314.433 2.789 20 30 DFEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1C#N ZINC000602978777 399646514 /nfs/dbraw/zinc/64/65/14/399646514.db2.gz WJDBZRDRSQKRNL-DOTOQJQBSA-N 1 2 311.429 2.806 20 30 DFEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1C#N ZINC000602978777 399646518 /nfs/dbraw/zinc/64/65/18/399646518.db2.gz WJDBZRDRSQKRNL-DOTOQJQBSA-N 1 2 311.429 2.806 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602979283 399646827 /nfs/dbraw/zinc/64/68/27/399646827.db2.gz BSPMCSNOTLMYHL-RDJZCZTQSA-N 1 2 320.458 2.783 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602979283 399646831 /nfs/dbraw/zinc/64/68/31/399646831.db2.gz BSPMCSNOTLMYHL-RDJZCZTQSA-N 1 2 320.458 2.783 20 30 DFEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[C@H]1C#N ZINC000602978779 399646999 /nfs/dbraw/zinc/64/69/99/399646999.db2.gz WJDBZRDRSQKRNL-RDJZCZTQSA-N 1 2 311.429 2.806 20 30 DFEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[C@H]1C#N ZINC000602978779 399647005 /nfs/dbraw/zinc/64/70/05/399647005.db2.gz WJDBZRDRSQKRNL-RDJZCZTQSA-N 1 2 311.429 2.806 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000612588153 399683427 /nfs/dbraw/zinc/68/34/27/399683427.db2.gz QNEVFPOWEWYSEY-UHFFFAOYSA-N 1 2 307.760 2.699 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000289225695 335060769 /nfs/dbraw/zinc/06/07/69/335060769.db2.gz YCIJARDFHPGBDJ-UHFFFAOYSA-N 1 2 310.422 2.687 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000624572193 399715043 /nfs/dbraw/zinc/71/50/43/399715043.db2.gz WJESKJANJKCLHD-AWEZNQCLSA-N 1 2 311.385 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1OC ZINC000289657407 335062206 /nfs/dbraw/zinc/06/22/06/335062206.db2.gz COHJTHBFOMIXMJ-KRWDZBQOSA-N 1 2 309.381 2.556 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1OC ZINC000289657407 335062208 /nfs/dbraw/zinc/06/22/08/335062208.db2.gz COHJTHBFOMIXMJ-KRWDZBQOSA-N 1 2 309.381 2.556 20 30 DFEDLO N#Cc1cccnc1OC1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000603361102 399753488 /nfs/dbraw/zinc/75/34/88/399753488.db2.gz JUSCSFQKNMPJHZ-UHFFFAOYSA-N 1 2 312.348 2.711 20 30 DFEDLO C#CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1Cl)C1CC1 ZINC000289552430 335064282 /nfs/dbraw/zinc/06/42/82/335064282.db2.gz GJBIJGDIEIJYNF-UHFFFAOYSA-N 1 2 300.793 2.827 20 30 DFEDLO C#CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1Cl)C1CC1 ZINC000289552430 335064283 /nfs/dbraw/zinc/06/42/83/335064283.db2.gz GJBIJGDIEIJYNF-UHFFFAOYSA-N 1 2 300.793 2.827 20 30 DFEDLO CCOC(=O)[C@]1(C(C)C)CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000302835262 543048981 /nfs/dbraw/zinc/04/89/81/543048981.db2.gz UZDFYVCRZDEICD-GOSISDBHSA-N 1 2 315.417 2.986 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@@H](c2ncc(C)s2)C2CC2)[N@H+](C)C1 ZINC000329045415 543100047 /nfs/dbraw/zinc/10/00/47/543100047.db2.gz USYRUCTVWRTAOX-RWMBFGLXSA-N 1 2 309.435 2.578 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@@H](c2ncc(C)s2)C2CC2)[N@@H+](C)C1 ZINC000329045415 543100049 /nfs/dbraw/zinc/10/00/49/543100049.db2.gz USYRUCTVWRTAOX-RWMBFGLXSA-N 1 2 309.435 2.578 20 30 DFEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1F ZINC000604493275 399850073 /nfs/dbraw/zinc/85/00/73/399850073.db2.gz BRHGTLVOMWZHKJ-UHFFFAOYSA-N 1 2 305.397 2.800 20 30 DFEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1F ZINC000604493275 399850076 /nfs/dbraw/zinc/85/00/76/399850076.db2.gz BRHGTLVOMWZHKJ-UHFFFAOYSA-N 1 2 305.397 2.800 20 30 DFEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000604525287 399852417 /nfs/dbraw/zinc/85/24/17/399852417.db2.gz HFIQSTLNZNKQIB-UHFFFAOYSA-N 1 2 319.371 2.946 20 30 DFEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000604525287 399852423 /nfs/dbraw/zinc/85/24/23/399852423.db2.gz HFIQSTLNZNKQIB-UHFFFAOYSA-N 1 2 319.371 2.946 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000339832611 543148171 /nfs/dbraw/zinc/14/81/71/543148171.db2.gz ZCZQHGUYEOICRW-UHFFFAOYSA-N 1 2 316.364 2.806 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2ccccc2C1 ZINC000604557983 399856491 /nfs/dbraw/zinc/85/64/91/399856491.db2.gz CSVRPQCTLCEGCQ-OAHLLOKOSA-N 1 2 318.384 2.709 20 30 DFEDLO C[C@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558820 399856497 /nfs/dbraw/zinc/85/64/97/399856497.db2.gz RTFWAHOWVPBNRK-GFCCVEGCSA-N 1 2 324.363 2.922 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000052920213 425886079 /nfs/dbraw/zinc/88/60/79/425886079.db2.gz CEXLSJLFUSASMC-UHFFFAOYSA-N 1 2 320.433 2.560 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000052920213 425886080 /nfs/dbraw/zinc/88/60/80/425886080.db2.gz CEXLSJLFUSASMC-UHFFFAOYSA-N 1 2 320.433 2.560 20 30 DFEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000630978929 399957545 /nfs/dbraw/zinc/95/75/45/399957545.db2.gz LCESTFFYFRJVPZ-BBRMVZONSA-N 1 2 324.384 2.820 20 30 DFEDLO C=CCC[C@@H](C(=O)N(C)C[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000633919802 399961334 /nfs/dbraw/zinc/96/13/34/399961334.db2.gz CPKDSLVEEZCQFF-QZTJIDSGSA-N 1 2 316.445 2.525 20 30 DFEDLO C=CCC[C@@H](C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000633919802 399961337 /nfs/dbraw/zinc/96/13/37/399961337.db2.gz CPKDSLVEEZCQFF-QZTJIDSGSA-N 1 2 316.445 2.525 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1OC ZINC000628457988 400032817 /nfs/dbraw/zinc/03/28/17/400032817.db2.gz XUQWSLWPWYRVIS-OAHLLOKOSA-N 1 2 309.381 2.820 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1OC ZINC000628457988 400032818 /nfs/dbraw/zinc/03/28/18/400032818.db2.gz XUQWSLWPWYRVIS-OAHLLOKOSA-N 1 2 309.381 2.820 20 30 DFEDLO C=CCOc1c(Cl)cc(C[NH+]2CC(C)(CO)C2)cc1OC ZINC000628307619 400017594 /nfs/dbraw/zinc/01/75/94/400017594.db2.gz TZDNVKQEACETSE-UHFFFAOYSA-N 1 2 311.809 2.728 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(OC)c2OC)nn1 ZINC000631637904 400060573 /nfs/dbraw/zinc/06/05/73/400060573.db2.gz GPRBVECFQDPRSC-OAHLLOKOSA-N 1 2 316.405 2.722 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491676002 543407412 /nfs/dbraw/zinc/40/74/12/543407412.db2.gz NHKFNNAROWIITM-GFCCVEGCSA-N 1 2 315.442 2.781 20 30 DFEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491676002 543407430 /nfs/dbraw/zinc/40/74/30/543407430.db2.gz NHKFNNAROWIITM-GFCCVEGCSA-N 1 2 315.442 2.781 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000354409460 147027054 /nfs/dbraw/zinc/02/70/54/147027054.db2.gz XBFBTAUEYFGJER-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000354409460 147027055 /nfs/dbraw/zinc/02/70/55/147027055.db2.gz XBFBTAUEYFGJER-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1csc(CNc2cc[nH+]c(OCC(F)(F)F)c2)n1 ZINC000357699539 148089667 /nfs/dbraw/zinc/08/96/67/148089667.db2.gz LYUVSPCFUKEBEU-UHFFFAOYSA-N 1 2 314.292 2.963 20 30 DFEDLO CN(CC(=O)c1cn(CCC#N)c2ccccc12)Cc1c[nH+]c[nH]1 ZINC000661085593 543531985 /nfs/dbraw/zinc/53/19/85/543531985.db2.gz MNGDELIHJUTZQR-UHFFFAOYSA-N 1 2 321.384 2.593 20 30 DFEDLO CN(CC(=O)c1cn(CCC#N)c2ccccc12)Cc1c[nH]c[nH+]1 ZINC000661085593 543531987 /nfs/dbraw/zinc/53/19/87/543531987.db2.gz MNGDELIHJUTZQR-UHFFFAOYSA-N 1 2 321.384 2.593 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccsc3Cl)CC2)n1 ZINC000361582622 149158340 /nfs/dbraw/zinc/15/83/40/149158340.db2.gz ALWHYGOZGDKMRO-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1cccc(C#N)c1 ZINC000361882660 149245880 /nfs/dbraw/zinc/24/58/80/149245880.db2.gz KGPQGDMEZWINQR-ZDUSSCGKSA-N 1 2 308.385 2.786 20 30 DFEDLO CCc1noc(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362065542 149287533 /nfs/dbraw/zinc/28/75/33/149287533.db2.gz STTFFYHAHBEZEW-SFHVURJKSA-N 1 2 311.385 2.991 20 30 DFEDLO CCc1noc(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362065542 149287535 /nfs/dbraw/zinc/28/75/35/149287535.db2.gz STTFFYHAHBEZEW-SFHVURJKSA-N 1 2 311.385 2.991 20 30 DFEDLO Cc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)c(C)[nH+]1 ZINC000371288293 150016714 /nfs/dbraw/zinc/01/67/14/150016714.db2.gz XNAGVFMLCBRGHL-KRWDZBQOSA-N 1 2 308.385 2.851 20 30 DFEDLO Cc1nc([C@H]2CCCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000372836406 150191256 /nfs/dbraw/zinc/19/12/56/150191256.db2.gz JITRFPAEDXTGTK-OAHLLOKOSA-N 1 2 322.372 2.625 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373977640 150286807 /nfs/dbraw/zinc/28/68/07/150286807.db2.gz OKFULPDFCWXCOH-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373977640 150286810 /nfs/dbraw/zinc/28/68/10/150286810.db2.gz OKFULPDFCWXCOH-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1O ZINC000374211025 150322942 /nfs/dbraw/zinc/32/29/42/150322942.db2.gz MPXVBCTXLAHGGG-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1O ZINC000374211025 150322944 /nfs/dbraw/zinc/32/29/44/150322944.db2.gz MPXVBCTXLAHGGG-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1C#N ZINC000374328320 150345790 /nfs/dbraw/zinc/34/57/90/150345790.db2.gz SIPHVCLTYXESRU-SFHVURJKSA-N 1 2 323.371 2.793 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000355099897 158274875 /nfs/dbraw/zinc/27/48/75/158274875.db2.gz HPLOWXVEJLMKFK-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360307757 287131520 /nfs/dbraw/zinc/13/15/20/287131520.db2.gz FIEIVMPLFGEENN-AWEZNQCLSA-N 1 2 314.433 2.745 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000132350822 196247916 /nfs/dbraw/zinc/24/79/16/196247916.db2.gz KTNRJDJFRBXHSP-UHFFFAOYSA-N 1 2 321.789 2.822 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667956974 543710960 /nfs/dbraw/zinc/71/09/60/543710960.db2.gz VCYFKJLCQBFNBW-HIFRSBDPSA-N 1 2 314.389 2.745 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162749 543754599 /nfs/dbraw/zinc/75/45/99/543754599.db2.gz HALRLIAKUDURKB-BBRMVZONSA-N 1 2 314.389 2.745 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162751 543754903 /nfs/dbraw/zinc/75/49/03/543754903.db2.gz HALRLIAKUDURKB-CZUORRHYSA-N 1 2 314.389 2.745 20 30 DFEDLO C=C(C)COc1cc(C[N@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000668521467 543818390 /nfs/dbraw/zinc/81/83/90/543818390.db2.gz NIILQWYBNPDACL-UHFFFAOYSA-N 1 2 317.389 2.974 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000668521467 543818393 /nfs/dbraw/zinc/81/83/93/543818393.db2.gz NIILQWYBNPDACL-UHFFFAOYSA-N 1 2 317.389 2.974 20 30 DFEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N1CCCC1 ZINC000674249259 544226394 /nfs/dbraw/zinc/22/63/94/544226394.db2.gz LSQXTYPBCZOGKQ-UHFFFAOYSA-N 1 2 324.346 2.611 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N1CCCC1 ZINC000674249259 544226397 /nfs/dbraw/zinc/22/63/97/544226397.db2.gz LSQXTYPBCZOGKQ-UHFFFAOYSA-N 1 2 324.346 2.611 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478144 544494998 /nfs/dbraw/zinc/49/49/98/544494998.db2.gz OVHFCRZIGOBHAM-QWHCGFSZSA-N 1 2 310.463 2.751 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478144 544495001 /nfs/dbraw/zinc/49/50/01/544495001.db2.gz OVHFCRZIGOBHAM-QWHCGFSZSA-N 1 2 310.463 2.751 20 30 DFEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC#CCOC)CC1 ZINC000677820410 544547169 /nfs/dbraw/zinc/54/71/69/544547169.db2.gz MFTAZRVMIHXKFE-SFHVURJKSA-N 1 2 322.399 2.683 20 30 DFEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC#CCOC)CC1 ZINC000677820410 544547174 /nfs/dbraw/zinc/54/71/74/544547174.db2.gz MFTAZRVMIHXKFE-SFHVURJKSA-N 1 2 322.399 2.683 20 30 DFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299479229 229142604 /nfs/dbraw/zinc/14/26/04/229142604.db2.gz CETDTFXZIWPESN-XJKSGUPXSA-N 1 2 324.384 2.802 20 30 DFEDLO Cc1cc(N[C@@H]2CC(=O)N(c3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000301783502 229893599 /nfs/dbraw/zinc/89/35/99/229893599.db2.gz NWVAACAOYJXIJA-CQSZACIVSA-N 1 2 306.369 2.788 20 30 DFEDLO COc1ccc2c(c1)OC[C@H](Nc1cc(C)[nH+]c(C)c1C#N)C2 ZINC000301963814 230007016 /nfs/dbraw/zinc/00/70/16/230007016.db2.gz NMWNZTZTRAAMIG-CQSZACIVSA-N 1 2 309.369 2.994 20 30 DFEDLO Cc1cccc2[nH+]c(CNc3nc4ccccn4c3C#N)cn21 ZINC000302056236 230069317 /nfs/dbraw/zinc/06/93/17/230069317.db2.gz AJDXDLQVPQUVNY-UHFFFAOYSA-N 1 2 302.341 2.774 20 30 DFEDLO CC[N@H+](CCCNC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000057990560 425897478 /nfs/dbraw/zinc/89/74/78/425897478.db2.gz IZTPPBSGPQGPON-UHFFFAOYSA-N 1 2 314.433 2.848 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000057990560 425897479 /nfs/dbraw/zinc/89/74/79/425897479.db2.gz IZTPPBSGPQGPON-UHFFFAOYSA-N 1 2 314.433 2.848 20 30 DFEDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000066562730 425904921 /nfs/dbraw/zinc/90/49/21/425904921.db2.gz KLCFMDKOJHPCEK-UHFFFAOYSA-N 1 2 318.402 2.604 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000066562730 425904922 /nfs/dbraw/zinc/90/49/22/425904922.db2.gz KLCFMDKOJHPCEK-UHFFFAOYSA-N 1 2 318.402 2.604 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559621 425905125 /nfs/dbraw/zinc/90/51/25/425905125.db2.gz PWMROEGCADZTOD-MRXNPFEDSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CC[N@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559621 425905126 /nfs/dbraw/zinc/90/51/26/425905126.db2.gz PWMROEGCADZTOD-MRXNPFEDSA-N 1 2 323.458 2.649 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000155657304 425924358 /nfs/dbraw/zinc/92/43/58/425924358.db2.gz ULQCBJAOLGPTFG-MRXNPFEDSA-N 1 2 321.384 2.744 20 30 DFEDLO C=C[C@H](CC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000124518572 425924494 /nfs/dbraw/zinc/92/44/94/425924494.db2.gz SCFYWFXWDFMSHJ-WBVHZDCISA-N 1 2 309.413 2.982 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000350766813 269957966 /nfs/dbraw/zinc/95/79/66/269957966.db2.gz DFXBWRAKRZMPKY-CQSZACIVSA-N 1 2 310.357 2.730 20 30 DFEDLO N#Cc1cccc(C2(C(=O)Nc3c[nH+]c4n3CCCC4)CC2)c1 ZINC000452335709 269971397 /nfs/dbraw/zinc/97/13/97/269971397.db2.gz RKZFMPAIEPIIOO-UHFFFAOYSA-N 1 2 306.369 2.761 20 30 DFEDLO N#Cc1cccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1F ZINC000451206596 270001416 /nfs/dbraw/zinc/00/14/16/270001416.db2.gz GYGSLHSPROGPCF-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1F ZINC000451206596 270001417 /nfs/dbraw/zinc/00/14/17/270001417.db2.gz GYGSLHSPROGPCF-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)CCOc2ccccc2)c1C#N ZINC000533777998 270002886 /nfs/dbraw/zinc/00/28/86/270002886.db2.gz PDGBZEDLMVXCRW-UHFFFAOYSA-N 1 2 324.380 2.856 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)CCOc2ccccc2)c1C#N ZINC000533777998 270002887 /nfs/dbraw/zinc/00/28/87/270002887.db2.gz PDGBZEDLMVXCRW-UHFFFAOYSA-N 1 2 324.380 2.856 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000156664813 425935711 /nfs/dbraw/zinc/93/57/11/425935711.db2.gz DRPNPYCTTFQPTA-HNNXBMFYSA-N 1 2 300.793 2.657 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000156664813 425935714 /nfs/dbraw/zinc/93/57/14/425935714.db2.gz DRPNPYCTTFQPTA-HNNXBMFYSA-N 1 2 300.793 2.657 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CC(C)(C)C(=O)NCC)c(O)c1 ZINC000157190668 425936815 /nfs/dbraw/zinc/93/68/15/425936815.db2.gz PLAQMORNPSVDIG-WOJGMQOQSA-N 1 2 306.406 2.762 20 30 DFEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC(F)F ZINC000349923295 266043775 /nfs/dbraw/zinc/04/37/75/266043775.db2.gz VZQJJXUUDMRPFI-UHFFFAOYSA-N 1 2 312.316 2.545 20 30 DFEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC(F)F ZINC000349923295 266043776 /nfs/dbraw/zinc/04/37/76/266043776.db2.gz VZQJJXUUDMRPFI-UHFFFAOYSA-N 1 2 312.316 2.545 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)ccc1F ZINC000353169356 266102602 /nfs/dbraw/zinc/10/26/02/266102602.db2.gz IZOQYZIEXDXQNQ-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)ccc1F ZINC000353169356 266102603 /nfs/dbraw/zinc/10/26/03/266102603.db2.gz IZOQYZIEXDXQNQ-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182722235 266134483 /nfs/dbraw/zinc/13/44/83/266134483.db2.gz JRVRZQMWEDURJI-RHSMWYFYSA-N 1 2 310.401 2.535 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182722235 266134485 /nfs/dbraw/zinc/13/44/85/266134485.db2.gz JRVRZQMWEDURJI-RHSMWYFYSA-N 1 2 310.401 2.535 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cscc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000342873799 267021755 /nfs/dbraw/zinc/02/17/55/267021755.db2.gz XWDIADKBHUGNEE-RISCZKNCSA-N 1 2 300.387 2.540 20 30 DFEDLO C[C@@H]1CCN(c2nccc(C#N)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000342629900 267024065 /nfs/dbraw/zinc/02/40/65/267024065.db2.gz BNRANDNXGQCZKU-YPMHNXCESA-N 1 2 301.781 2.891 20 30 DFEDLO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345267480 267026397 /nfs/dbraw/zinc/02/63/97/267026397.db2.gz OALRLDJEBZALNJ-CRAIPNDOSA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1ccc(C#N)cc1Cl ZINC000352009216 267105173 /nfs/dbraw/zinc/10/51/73/267105173.db2.gz TXECMZFESYXPDB-DYVFJYSZSA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000345267486 267222252 /nfs/dbraw/zinc/22/22/52/267222252.db2.gz OALRLDJEBZALNJ-YJBOKZPZSA-N 1 2 311.429 2.639 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000428238266 267231390 /nfs/dbraw/zinc/23/13/90/267231390.db2.gz OIQRNAFPFUZZFX-HOTGVXAUSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000428238266 267231394 /nfs/dbraw/zinc/23/13/94/267231394.db2.gz OIQRNAFPFUZZFX-HOTGVXAUSA-N 1 2 317.408 2.919 20 30 DFEDLO C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)[NH+]1C ZINC000135265908 267239508 /nfs/dbraw/zinc/23/95/08/267239508.db2.gz DHADFQKUDLMUAA-QWRGUYRKSA-N 1 2 308.223 2.850 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348250271 267248012 /nfs/dbraw/zinc/24/80/12/267248012.db2.gz SNOVUVRNZVBCLQ-WBMJQRKESA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348250271 267248016 /nfs/dbraw/zinc/24/80/16/267248016.db2.gz SNOVUVRNZVBCLQ-WBMJQRKESA-N 1 2 306.793 2.591 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl ZINC000456364219 267257658 /nfs/dbraw/zinc/25/76/58/267257658.db2.gz VBQXFBMSBMOHIH-SNVBAGLBSA-N 1 2 302.765 2.919 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000454711918 267258790 /nfs/dbraw/zinc/25/87/90/267258790.db2.gz RDAKBHKJYMGSCK-JTQLQIEISA-N 1 2 301.325 2.796 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000338120378 267277530 /nfs/dbraw/zinc/27/75/30/267277530.db2.gz NJZKDTXQXATEQC-UHFFFAOYSA-N 1 2 322.290 2.556 20 30 DFEDLO Cc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000346633679 267333434 /nfs/dbraw/zinc/33/34/34/267333434.db2.gz ZMWAZIYUAVEPED-UHFFFAOYSA-N 1 2 321.384 2.512 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)Cc3c(F)cccc3C#N)cn2c1 ZINC000350097265 267454496 /nfs/dbraw/zinc/45/44/96/267454496.db2.gz GUEVEMPJXRXFHR-UHFFFAOYSA-N 1 2 322.343 2.512 20 30 DFEDLO Cc1nsc(N2CC[NH+](CCOCCC(C)C)CC2)c1C#N ZINC000352193227 267696591 /nfs/dbraw/zinc/69/65/91/267696591.db2.gz YXECBJGKCROHFH-UHFFFAOYSA-N 1 2 322.478 2.508 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014914310 425776890 /nfs/dbraw/zinc/77/68/90/425776890.db2.gz KEMIDFRNYBPBJC-TUAOUCFPSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014914310 425776895 /nfs/dbraw/zinc/77/68/95/425776895.db2.gz KEMIDFRNYBPBJC-TUAOUCFPSA-N 1 2 321.808 2.648 20 30 DFEDLO Cc1cc(C)c(CNC(=O)c2cc(C#N)cc(N(C)C)c2)c[nH+]1 ZINC000456829562 267987981 /nfs/dbraw/zinc/98/79/81/267987981.db2.gz CNSRXRXQYQDECT-UHFFFAOYSA-N 1 2 308.385 2.566 20 30 DFEDLO C=CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042925652 425853983 /nfs/dbraw/zinc/85/39/83/425853983.db2.gz RCONWTLZLHGGTC-OKILXGFUSA-N 1 2 303.406 2.603 20 30 DFEDLO C=CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042925652 425853984 /nfs/dbraw/zinc/85/39/84/425853984.db2.gz RCONWTLZLHGGTC-OKILXGFUSA-N 1 2 303.406 2.603 20 30 DFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)nc2)cc1 ZINC000531172076 268045920 /nfs/dbraw/zinc/04/59/20/268045920.db2.gz YEHHNHGGHMYSJF-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cc(C#N)ncn4)C3)[nH+]c2c1 ZINC000530463746 268049119 /nfs/dbraw/zinc/04/91/19/268049119.db2.gz VIEQVBXGQGNPLZ-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])CCC2 ZINC000425248234 268069403 /nfs/dbraw/zinc/06/94/03/268069403.db2.gz QIWZEVDCAMGKIK-CYBMUJFWSA-N 1 2 311.345 2.961 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000428218107 268163521 /nfs/dbraw/zinc/16/35/21/268163521.db2.gz LOGAYBOGJUVHEZ-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000428218107 268163522 /nfs/dbraw/zinc/16/35/22/268163522.db2.gz LOGAYBOGJUVHEZ-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000439433280 268217373 /nfs/dbraw/zinc/21/73/73/268217373.db2.gz ZIDJZVIOBIEDNW-UHFFFAOYSA-N 1 2 313.779 2.984 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000439433280 268217376 /nfs/dbraw/zinc/21/73/76/268217376.db2.gz ZIDJZVIOBIEDNW-UHFFFAOYSA-N 1 2 313.779 2.984 20 30 DFEDLO CC(C)c1nc(N(C)Cc2cccc(C#N)c2)nc(N(C)C)[nH+]1 ZINC000270963655 268241803 /nfs/dbraw/zinc/24/18/03/268241803.db2.gz RLEYTLVTJUPATH-UHFFFAOYSA-N 1 2 310.405 2.569 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(N(C)Cc2cccc(C#N)c2)[nH+]1 ZINC000270963655 268241805 /nfs/dbraw/zinc/24/18/05/268241805.db2.gz RLEYTLVTJUPATH-UHFFFAOYSA-N 1 2 310.405 2.569 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528733149 268284385 /nfs/dbraw/zinc/28/43/85/268284385.db2.gz JVKHFPMSJAXTSV-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000528733149 268284386 /nfs/dbraw/zinc/28/43/86/268284386.db2.gz JVKHFPMSJAXTSV-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000425218751 268293398 /nfs/dbraw/zinc/29/33/98/268293398.db2.gz FFHAAGQOWHVVDW-ZDUSSCGKSA-N 1 2 323.356 2.800 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000353365819 268302074 /nfs/dbraw/zinc/30/20/74/268302074.db2.gz BIKKVPCOHAKBNT-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000345111200 268321453 /nfs/dbraw/zinc/32/14/53/268321453.db2.gz WBTSBFMMHFUNHB-UHFFFAOYSA-N 1 2 308.366 2.940 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(C#N)s2)CC1(C)C ZINC000333128838 268376497 /nfs/dbraw/zinc/37/64/97/268376497.db2.gz WNWVLIYKFVRUME-GFCCVEGCSA-N 1 2 300.387 2.577 20 30 DFEDLO Cc1cc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(C#N)c[nH+]1 ZINC000333398488 268395680 /nfs/dbraw/zinc/39/56/80/268395680.db2.gz NKVOWEJUNCFFBB-LJQANCHMSA-N 1 2 319.364 2.876 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000157448858 425938230 /nfs/dbraw/zinc/93/82/30/425938230.db2.gz HYZROKXYABHERZ-AWEZNQCLSA-N 1 2 311.385 2.730 20 30 DFEDLO CC#CC[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000157637028 425939086 /nfs/dbraw/zinc/93/90/86/425939086.db2.gz AXDDDBYDBYKNTQ-INIZCTEOSA-N 1 2 324.428 2.747 20 30 DFEDLO C=CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157744870 425939270 /nfs/dbraw/zinc/93/92/70/425939270.db2.gz TYKBHBCXDZEWFQ-AWEZNQCLSA-N 1 2 323.234 2.874 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cccc(C#N)c1 ZINC000125582538 425980329 /nfs/dbraw/zinc/98/03/29/425980329.db2.gz YFWQBFZPODVIMR-UHFFFAOYSA-N 1 2 318.380 2.923 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000125796665 425991293 /nfs/dbraw/zinc/99/12/93/425991293.db2.gz JDACWZYUHCNZCU-YPMHNXCESA-N 1 2 300.387 2.540 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000157637963 425939709 /nfs/dbraw/zinc/93/97/09/425939709.db2.gz PASFAOOJDVNRBI-HOTGVXAUSA-N 1 2 301.434 2.905 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000157637963 425939713 /nfs/dbraw/zinc/93/97/13/425939713.db2.gz PASFAOOJDVNRBI-HOTGVXAUSA-N 1 2 301.434 2.905 20 30 DFEDLO Cc1cc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c(C)o1 ZINC000157794792 425939892 /nfs/dbraw/zinc/93/98/92/425939892.db2.gz ZEDQUBXEZCHZEK-UHFFFAOYSA-N 1 2 303.406 2.594 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695047 425974913 /nfs/dbraw/zinc/97/49/13/425974913.db2.gz GEAFMGNKQHJMIF-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695047 425974916 /nfs/dbraw/zinc/97/49/16/425974916.db2.gz GEAFMGNKQHJMIF-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=C(C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000126733918 426034623 /nfs/dbraw/zinc/03/46/23/426034623.db2.gz OURRKGKLLKSICY-UHFFFAOYSA-N 1 2 311.341 2.505 20 30 DFEDLO C=CCc1cc(C[N@H+](C)CC(=O)OC(C)(C)C)cc(OC)c1O ZINC000126924124 426043169 /nfs/dbraw/zinc/04/31/69/426043169.db2.gz CDXLVAKVLIBHHH-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)CC(=O)OC(C)(C)C)cc(OC)c1O ZINC000126924124 426043172 /nfs/dbraw/zinc/04/31/72/426043172.db2.gz CDXLVAKVLIBHHH-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000126954389 426043573 /nfs/dbraw/zinc/04/35/73/426043573.db2.gz PZLABGOWLIJQFY-UHFFFAOYSA-N 1 2 323.444 2.832 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000126347768 426015663 /nfs/dbraw/zinc/01/56/63/426015663.db2.gz FUANTSVDMPONJG-CQSZACIVSA-N 1 2 312.442 2.894 20 30 DFEDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000126347768 426015666 /nfs/dbraw/zinc/01/56/66/426015666.db2.gz FUANTSVDMPONJG-CQSZACIVSA-N 1 2 312.442 2.894 20 30 DFEDLO COc1ccccc1CNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072692175 426019295 /nfs/dbraw/zinc/01/92/95/426019295.db2.gz ACDFZSUMSIXPJM-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO COc1ccccc1CNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072692175 426019297 /nfs/dbraw/zinc/01/92/97/426019297.db2.gz ACDFZSUMSIXPJM-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000076606352 426115252 /nfs/dbraw/zinc/11/52/52/426115252.db2.gz OUUBACQKBHSQLV-LLVKDONJSA-N 1 2 313.854 2.841 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000076606352 426115257 /nfs/dbraw/zinc/11/52/57/426115257.db2.gz OUUBACQKBHSQLV-LLVKDONJSA-N 1 2 313.854 2.841 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000075715300 426083484 /nfs/dbraw/zinc/08/34/84/426083484.db2.gz KVSLJROPNGOVJH-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000075715300 426083489 /nfs/dbraw/zinc/08/34/89/426083489.db2.gz KVSLJROPNGOVJH-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000116896052 426200387 /nfs/dbraw/zinc/20/03/87/426200387.db2.gz HIFXZYWYNJOPDK-QGZVFWFLSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000116896052 426200388 /nfs/dbraw/zinc/20/03/88/426200388.db2.gz HIFXZYWYNJOPDK-QGZVFWFLSA-N 1 2 312.369 2.912 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000135050277 426204209 /nfs/dbraw/zinc/20/42/09/426204209.db2.gz WTARATYZCPBVJH-QAPCUYQASA-N 1 2 301.434 2.889 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000130177019 426150290 /nfs/dbraw/zinc/15/02/90/426150290.db2.gz XUELMXBQHBKZOF-AWEZNQCLSA-N 1 2 319.426 2.916 20 30 DFEDLO C=CC[N@H+](Cc1c(C)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000130177019 426150293 /nfs/dbraw/zinc/15/02/93/426150293.db2.gz XUELMXBQHBKZOF-AWEZNQCLSA-N 1 2 319.426 2.916 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cnn(C)c3)C2)c1 ZINC000130788083 426162466 /nfs/dbraw/zinc/16/24/66/426162466.db2.gz KDKWLRGGBVZGRA-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cnn(C)c3)C2)c1 ZINC000130788083 426162468 /nfs/dbraw/zinc/16/24/68/426162468.db2.gz KDKWLRGGBVZGRA-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000078320896 426164946 /nfs/dbraw/zinc/16/49/46/426164946.db2.gz NEPDOXBQWLMUKV-SFHVURJKSA-N 1 2 310.397 2.939 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000078320896 426164948 /nfs/dbraw/zinc/16/49/48/426164948.db2.gz NEPDOXBQWLMUKV-SFHVURJKSA-N 1 2 310.397 2.939 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccsc2C1 ZINC000132776870 426171465 /nfs/dbraw/zinc/17/14/65/426171465.db2.gz ADECPSNQIUAXSX-ZDUSSCGKSA-N 1 2 317.458 2.837 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccsc2C1 ZINC000132776870 426171467 /nfs/dbraw/zinc/17/14/67/426171467.db2.gz ADECPSNQIUAXSX-ZDUSSCGKSA-N 1 2 317.458 2.837 20 30 DFEDLO CN(C(=O)C[N@@H+]1CCc2ccsc2C1)C1(C#N)CCCCC1 ZINC000132855680 426171976 /nfs/dbraw/zinc/17/19/76/426171976.db2.gz OQFGNBMGQCHPNX-UHFFFAOYSA-N 1 2 317.458 2.791 20 30 DFEDLO CN(C(=O)C[N@H+]1CCc2ccsc2C1)C1(C#N)CCCCC1 ZINC000132855680 426171978 /nfs/dbraw/zinc/17/19/78/426171978.db2.gz OQFGNBMGQCHPNX-UHFFFAOYSA-N 1 2 317.458 2.791 20 30 DFEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000135132760 426205855 /nfs/dbraw/zinc/20/58/55/426205855.db2.gz BZOZBBWAZHNISI-QGZVFWFLSA-N 1 2 303.406 2.767 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298167 426185415 /nfs/dbraw/zinc/18/54/15/426185415.db2.gz WMOJSKZYCGZUSQ-GFCCVEGCSA-N 1 2 301.371 2.988 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298167 426185417 /nfs/dbraw/zinc/18/54/17/426185417.db2.gz WMOJSKZYCGZUSQ-GFCCVEGCSA-N 1 2 301.371 2.988 20 30 DFEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000171373577 426187291 /nfs/dbraw/zinc/18/72/91/426187291.db2.gz PHWGMKHRUNNGGP-MRXNPFEDSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000171373577 426187293 /nfs/dbraw/zinc/18/72/93/426187293.db2.gz PHWGMKHRUNNGGP-MRXNPFEDSA-N 1 2 312.344 2.969 20 30 DFEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000135121523 426206490 /nfs/dbraw/zinc/20/64/90/426206490.db2.gz KNLSWGKAELQGMB-GFCCVEGCSA-N 1 2 304.390 2.729 20 30 DFEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000135121523 426206492 /nfs/dbraw/zinc/20/64/92/426206492.db2.gz KNLSWGKAELQGMB-GFCCVEGCSA-N 1 2 304.390 2.729 20 30 DFEDLO C=CCOCCCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000079548096 426196213 /nfs/dbraw/zinc/19/62/13/426196213.db2.gz YLECDXCGQZIKLL-UHFFFAOYSA-N 1 2 315.417 2.834 20 30 DFEDLO C[C@H](NC(=O)c1cc(C#N)cn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000081549425 426225137 /nfs/dbraw/zinc/22/51/37/426225137.db2.gz BLMNWDVHLMCDER-ZDUSSCGKSA-N 1 2 319.368 2.573 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2cccs2)CC1)C1CC1 ZINC000117895106 426225389 /nfs/dbraw/zinc/22/53/89/426225389.db2.gz WTXAVVYALIOLQM-QGZVFWFLSA-N 1 2 315.442 2.646 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1)C1CC1 ZINC000117895106 426225390 /nfs/dbraw/zinc/22/53/90/426225390.db2.gz WTXAVVYALIOLQM-QGZVFWFLSA-N 1 2 315.442 2.646 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117893543 426225444 /nfs/dbraw/zinc/22/54/44/426225444.db2.gz VEDXEYSCVUQRRK-QGZVFWFLSA-N 1 2 317.458 2.892 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117893543 426225445 /nfs/dbraw/zinc/22/54/45/426225445.db2.gz VEDXEYSCVUQRRK-QGZVFWFLSA-N 1 2 317.458 2.892 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000118391682 426234189 /nfs/dbraw/zinc/23/41/89/426234189.db2.gz XROUFKDKLFZVOL-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)cs1 ZINC000084167994 426234581 /nfs/dbraw/zinc/23/45/81/426234581.db2.gz VKOQYURAICOANM-UHFFFAOYSA-N 1 2 310.382 2.708 20 30 DFEDLO N#Cc1csc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000084295714 426236671 /nfs/dbraw/zinc/23/66/71/426236671.db2.gz WDLWTJAUADRSSG-UHFFFAOYSA-N 1 2 300.387 2.637 20 30 DFEDLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173782877 426247753 /nfs/dbraw/zinc/24/77/53/426247753.db2.gz RFUCSPNBVYCPBM-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173782877 426247755 /nfs/dbraw/zinc/24/77/55/426247755.db2.gz RFUCSPNBVYCPBM-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)CC(F)F ZINC000135378921 426217022 /nfs/dbraw/zinc/21/70/22/426217022.db2.gz AQBMMKASXGQKEK-UHFFFAOYSA-N 1 2 301.362 2.924 20 30 DFEDLO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(F)F ZINC000135378921 426217024 /nfs/dbraw/zinc/21/70/24/426217024.db2.gz AQBMMKASXGQKEK-UHFFFAOYSA-N 1 2 301.362 2.924 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000151508553 426299608 /nfs/dbraw/zinc/29/96/08/426299608.db2.gz BQEIQVBCKPCPQY-HNNXBMFYSA-N 1 2 323.400 2.778 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151816674 426314348 /nfs/dbraw/zinc/31/43/48/426314348.db2.gz BLVWUBCPHJFBBL-KRWDZBQOSA-N 1 2 322.412 2.754 20 30 DFEDLO Oc1cccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000151870332 426316866 /nfs/dbraw/zinc/31/68/66/426316866.db2.gz CKUBLTYJXULMFV-UHFFFAOYSA-N 1 2 310.372 2.705 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000339579424 268840459 /nfs/dbraw/zinc/84/04/59/268840459.db2.gz ZDARVOCSFFHZPH-UHFFFAOYSA-N 1 2 322.246 2.628 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613367 426328825 /nfs/dbraw/zinc/32/88/25/426328825.db2.gz KNBLWEBMNKGLJH-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613367 426328827 /nfs/dbraw/zinc/32/88/27/426328827.db2.gz KNBLWEBMNKGLJH-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090969336 426335986 /nfs/dbraw/zinc/33/59/86/426335986.db2.gz ATCPRVBKKIPBJX-GFCCVEGCSA-N 1 2 306.797 2.797 20 30 DFEDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c1 ZINC000151120670 426279535 /nfs/dbraw/zinc/27/95/35/426279535.db2.gz ZCRGIMQDQJAKPR-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c1 ZINC000151120670 426279537 /nfs/dbraw/zinc/27/95/37/426279537.db2.gz ZCRGIMQDQJAKPR-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000119359747 426282196 /nfs/dbraw/zinc/28/21/96/426282196.db2.gz JSRGZVFDZWRKKN-INIZCTEOSA-N 1 2 311.410 2.857 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000119359747 426282199 /nfs/dbraw/zinc/28/21/99/426282199.db2.gz JSRGZVFDZWRKKN-INIZCTEOSA-N 1 2 311.410 2.857 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000153681642 426398438 /nfs/dbraw/zinc/39/84/38/426398438.db2.gz KVWSPHMLIWLPLD-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092360938 426348805 /nfs/dbraw/zinc/34/88/05/426348805.db2.gz DGGIYTVRIVTCDM-KRWDZBQOSA-N 1 2 307.459 2.787 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092360938 426348807 /nfs/dbraw/zinc/34/88/07/426348807.db2.gz DGGIYTVRIVTCDM-KRWDZBQOSA-N 1 2 307.459 2.787 20 30 DFEDLO Cc1cccn2cc(CNC(=O)c3ccc(C#N)cc3C)[nH+]c12 ZINC000121782967 426354229 /nfs/dbraw/zinc/35/42/29/426354229.db2.gz IGJHLFVGCREHFA-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)cc(OC)c1 ZINC000123393332 426430599 /nfs/dbraw/zinc/43/05/99/426430599.db2.gz LLEXSJOEWMYYHS-UHFFFAOYSA-N 1 2 308.341 2.835 20 30 DFEDLO N#Cc1cc2c(nc1NCc1[nH+]ccn1CC(F)(F)F)CCC2 ZINC000340620470 268992287 /nfs/dbraw/zinc/99/22/87/268992287.db2.gz TZCUPAQVWYDSNA-UHFFFAOYSA-N 1 2 321.306 2.813 20 30 DFEDLO CCC[N@H+](CCS(=O)(=O)CCC)Cc1ccc(C#N)cc1 ZINC000097094258 426448622 /nfs/dbraw/zinc/44/86/22/426448622.db2.gz MGCJPAHAYGEORM-UHFFFAOYSA-N 1 2 308.447 2.595 20 30 DFEDLO CCC[N@@H+](CCS(=O)(=O)CCC)Cc1ccc(C#N)cc1 ZINC000097094258 426448625 /nfs/dbraw/zinc/44/86/25/426448625.db2.gz MGCJPAHAYGEORM-UHFFFAOYSA-N 1 2 308.447 2.595 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](CCCC#N)C1CC1 ZINC000154960963 426460543 /nfs/dbraw/zinc/46/05/43/426460543.db2.gz ONIQVOUXBMBBTD-KRWDZBQOSA-N 1 2 300.402 2.929 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](CCCC#N)C1CC1 ZINC000154960963 426460545 /nfs/dbraw/zinc/46/05/45/426460545.db2.gz ONIQVOUXBMBBTD-KRWDZBQOSA-N 1 2 300.402 2.929 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000155253542 426467568 /nfs/dbraw/zinc/46/75/68/426467568.db2.gz IABCMHVCCAKFKJ-CZUORRHYSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000155253542 426467570 /nfs/dbraw/zinc/46/75/70/426467570.db2.gz IABCMHVCCAKFKJ-CZUORRHYSA-N 1 2 303.381 2.803 20 30 DFEDLO Cc1ncccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155283262 426468195 /nfs/dbraw/zinc/46/81/95/426468195.db2.gz JXYMGPZVVIVKIE-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)cn1 ZINC000124172577 426474009 /nfs/dbraw/zinc/47/40/09/426474009.db2.gz XEOXWLFZRSIRMA-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+](CCC2CCCCC2)CC(N)=O)c1 ZINC000101567725 426484615 /nfs/dbraw/zinc/48/46/15/426484615.db2.gz XXNRLBADESIHBM-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+](CCC2CCCCC2)CC(N)=O)c1 ZINC000101567725 426484616 /nfs/dbraw/zinc/48/46/16/426484616.db2.gz XXNRLBADESIHBM-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000264199177 426514790 /nfs/dbraw/zinc/51/47/90/426514790.db2.gz PZRGSTDPVYQXQQ-UHFFFAOYSA-N 1 2 300.362 2.697 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280248585 426529935 /nfs/dbraw/zinc/52/99/35/426529935.db2.gz BIECMIQJVYBHQH-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280248585 426529940 /nfs/dbraw/zinc/52/99/40/426529940.db2.gz BIECMIQJVYBHQH-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO CCOC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186560312 426550520 /nfs/dbraw/zinc/55/05/20/426550520.db2.gz LCVQIMJBYGEPJZ-UHFFFAOYSA-N 1 2 306.793 2.987 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000177545615 426493684 /nfs/dbraw/zinc/49/36/84/426493684.db2.gz BHKGGYBWRCMIJO-YPMHNXCESA-N 1 2 300.387 2.540 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000177548495 426493845 /nfs/dbraw/zinc/49/38/45/426493845.db2.gz AYNMIGGIOVLLEH-YOBDTOFLSA-N 1 2 320.396 2.878 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000264437600 426554065 /nfs/dbraw/zinc/55/40/65/426554065.db2.gz FBCDSUMYSPHUFA-UHFFFAOYSA-N 1 2 324.344 2.990 20 30 DFEDLO C=CCN(CC=C)C(=O)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000195121797 426501616 /nfs/dbraw/zinc/50/16/16/426501616.db2.gz KWNOYRSTNFGTQE-UHFFFAOYSA-N 1 2 310.401 2.846 20 30 DFEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000186314238 426503805 /nfs/dbraw/zinc/50/38/05/426503805.db2.gz QUFXKKLZYRYGJZ-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO C[N@H+](Cc1ncc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289163092 426594914 /nfs/dbraw/zinc/59/49/14/426594914.db2.gz RDNVNZKZEMWPHY-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO C[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289163092 426594919 /nfs/dbraw/zinc/59/49/19/426594919.db2.gz RDNVNZKZEMWPHY-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCc2occc2C1 ZINC000288982132 426561129 /nfs/dbraw/zinc/56/11/29/426561129.db2.gz ZINBDRFYUCCMEA-ZDUSSCGKSA-N 1 2 309.369 2.927 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCc2occc2C1 ZINC000288982132 426561135 /nfs/dbraw/zinc/56/11/35/426561135.db2.gz ZINBDRFYUCCMEA-ZDUSSCGKSA-N 1 2 309.369 2.927 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000280634952 426620451 /nfs/dbraw/zinc/62/04/51/426620451.db2.gz UHQWOMLLIKLLPZ-UHFFFAOYSA-N 1 2 324.384 2.775 20 30 DFEDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000265460372 426641211 /nfs/dbraw/zinc/64/12/11/426641211.db2.gz FIRRGCQTCYKXJP-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO CC1=C(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000280784365 426654938 /nfs/dbraw/zinc/65/49/38/426654938.db2.gz QIJXAAVVMREXBJ-CQSZACIVSA-N 1 2 301.415 2.767 20 30 DFEDLO CC1=C(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000280784365 426654940 /nfs/dbraw/zinc/65/49/40/426654940.db2.gz QIJXAAVVMREXBJ-CQSZACIVSA-N 1 2 301.415 2.767 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H](C)Cc2cccs2)c1O ZINC000265876725 426703750 /nfs/dbraw/zinc/70/37/50/426703750.db2.gz AVFLOWHUUQTXGD-DTQASYIRSA-N 1 2 304.415 2.947 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000281493822 426721411 /nfs/dbraw/zinc/72/14/11/426721411.db2.gz WFIWRZTXVJUVEY-ZDUSSCGKSA-N 1 2 324.494 2.550 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C(C)C)nc2C)c1 ZINC000281509492 426721478 /nfs/dbraw/zinc/72/14/78/426721478.db2.gz HFOWMKKRSCJULF-UHFFFAOYSA-N 1 2 324.428 2.824 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C(C)C)nc2C)c1 ZINC000281509492 426721483 /nfs/dbraw/zinc/72/14/83/426721483.db2.gz HFOWMKKRSCJULF-UHFFFAOYSA-N 1 2 324.428 2.824 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000290108273 426696093 /nfs/dbraw/zinc/69/60/93/426696093.db2.gz IKIAMZFCRJGYJL-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO C=CCC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000188194703 426730371 /nfs/dbraw/zinc/73/03/71/426730371.db2.gz LDMWGQIVJNDRQI-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000179095733 426749310 /nfs/dbraw/zinc/74/93/10/426749310.db2.gz XLUJISGGIDHFKF-CQSZACIVSA-N 1 2 303.369 2.990 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000281715356 426750114 /nfs/dbraw/zinc/75/01/14/426750114.db2.gz HZZWUIFABUDOJT-MRXNPFEDSA-N 1 2 323.400 2.846 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1O ZINC000188537143 426762300 /nfs/dbraw/zinc/76/23/00/426762300.db2.gz KYBUCFQBLVVWFA-UHFFFAOYSA-N 1 2 304.309 2.906 20 30 DFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1C#N ZINC000179189786 426765977 /nfs/dbraw/zinc/76/59/77/426765977.db2.gz KCYNNDMJGVDGMU-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1C#N ZINC000179189786 426765982 /nfs/dbraw/zinc/76/59/82/426765982.db2.gz KCYNNDMJGVDGMU-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1=O ZINC000281946603 426799996 /nfs/dbraw/zinc/79/99/96/426799996.db2.gz JFWYABMSVSDNMA-RTBURBONSA-N 1 2 321.424 2.680 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)C1=O ZINC000281946603 426800002 /nfs/dbraw/zinc/80/00/02/426800002.db2.gz JFWYABMSVSDNMA-RTBURBONSA-N 1 2 321.424 2.680 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000188991425 426806952 /nfs/dbraw/zinc/80/69/52/426806952.db2.gz QIHNIXNFAGMIQX-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000267017848 426812630 /nfs/dbraw/zinc/81/26/30/426812630.db2.gz JPZHUDMAJAGEJU-NEPJUHHUSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000267017848 426812634 /nfs/dbraw/zinc/81/26/34/426812634.db2.gz JPZHUDMAJAGEJU-NEPJUHHUSA-N 1 2 300.362 2.842 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccnc(C#N)c1 ZINC000281920526 426793957 /nfs/dbraw/zinc/79/39/57/426793957.db2.gz VMRPFEKINAUHDJ-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO N#Cc1cc2c(nc1N1CCN(c3cccc[nH+]3)CC1)CCCC2 ZINC000291418974 426885468 /nfs/dbraw/zinc/88/54/68/426885468.db2.gz WOWMBODUHUBTOT-UHFFFAOYSA-N 1 2 319.412 2.554 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246970635 426885704 /nfs/dbraw/zinc/88/57/04/426885704.db2.gz RWEXYOCWMGAWFC-MAUKXSAKSA-N 1 2 315.417 2.924 20 30 DFEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246970635 426885709 /nfs/dbraw/zinc/88/57/09/426885709.db2.gz RWEXYOCWMGAWFC-MAUKXSAKSA-N 1 2 315.417 2.924 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000268260697 426968752 /nfs/dbraw/zinc/96/87/52/426968752.db2.gz XGXVUFFEIRVLCJ-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000268260697 426968756 /nfs/dbraw/zinc/96/87/56/426968756.db2.gz XGXVUFFEIRVLCJ-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000328611900 426980044 /nfs/dbraw/zinc/98/00/44/426980044.db2.gz OWDXKNMCJPUDSR-AWEZNQCLSA-N 1 2 320.437 2.609 20 30 DFEDLO C[C@@H]1c2cccn2CCN1C([O-])=[NH+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000328610635 426980874 /nfs/dbraw/zinc/98/08/74/426980874.db2.gz NVYIYMOTOGRXLY-KGLIPLIRSA-N 1 2 313.405 2.553 20 30 DFEDLO C[C@@H]1c2cccn2CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328610635 426980880 /nfs/dbraw/zinc/98/08/80/426980880.db2.gz NVYIYMOTOGRXLY-KGLIPLIRSA-N 1 2 313.405 2.553 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc2ccsc21 ZINC000328645247 426983358 /nfs/dbraw/zinc/98/33/58/426983358.db2.gz ATABKMJRYZJHKC-GFCCVEGCSA-N 1 2 319.430 2.948 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318967 426984551 /nfs/dbraw/zinc/98/45/51/426984551.db2.gz SKPJOZISHWGQPI-DGCLKSJQSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318967 426984555 /nfs/dbraw/zinc/98/45/55/426984555.db2.gz SKPJOZISHWGQPI-DGCLKSJQSA-N 1 2 316.323 2.679 20 30 DFEDLO Cc1nc(Nc2ccc([NH+]3CCC(O)CC3)cc2)ccc1C#N ZINC000291647653 426939486 /nfs/dbraw/zinc/93/94/86/426939486.db2.gz NJBWQKFRHCWVJQ-UHFFFAOYSA-N 1 2 308.385 2.966 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328774690 426995850 /nfs/dbraw/zinc/99/58/50/426995850.db2.gz HRYZHRNTHVUVLN-ZIAGYGMSSA-N 1 2 301.390 2.942 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328774690 426995857 /nfs/dbraw/zinc/99/58/57/426995857.db2.gz HRYZHRNTHVUVLN-ZIAGYGMSSA-N 1 2 301.390 2.942 20 30 DFEDLO CN(C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)C1CCOCC1 ZINC000328832696 427004047 /nfs/dbraw/zinc/00/40/47/427004047.db2.gz VYAWQEMJAXWOOQ-UHFFFAOYSA-N 1 2 314.389 2.602 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000276191212 427004165 /nfs/dbraw/zinc/00/41/65/427004165.db2.gz XEIQKWKGQFGTAC-HZPDHXFCSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000276191212 427004169 /nfs/dbraw/zinc/00/41/69/427004169.db2.gz XEIQKWKGQFGTAC-HZPDHXFCSA-N 1 2 323.387 2.928 20 30 DFEDLO COc1ccccc1NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328957525 427015601 /nfs/dbraw/zinc/01/56/01/427015601.db2.gz ZSVVQSRALNHZQP-UHFFFAOYSA-N 1 2 304.390 2.928 20 30 DFEDLO COc1ccccc1NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328957525 427015610 /nfs/dbraw/zinc/01/56/10/427015610.db2.gz ZSVVQSRALNHZQP-UHFFFAOYSA-N 1 2 304.390 2.928 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1=O ZINC000328955790 427016791 /nfs/dbraw/zinc/01/67/91/427016791.db2.gz ZAGNHXYLTPNMKZ-CHWSQXEVSA-N 1 2 303.406 2.724 20 30 DFEDLO C#CCC1(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000276260539 427019148 /nfs/dbraw/zinc/01/91/48/427019148.db2.gz BBZOFBCDYYSAHI-UHFFFAOYSA-N 1 2 322.412 2.857 20 30 DFEDLO COCCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCCC1 ZINC000268453206 427020351 /nfs/dbraw/zinc/02/03/51/427020351.db2.gz QHVYVFGUOHLHES-VCHYOVAHSA-N 1 2 306.406 2.604 20 30 DFEDLO Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329001856 427022526 /nfs/dbraw/zinc/02/25/26/427022526.db2.gz WBOLTWTVMSNKSZ-GWCFXTLKSA-N 1 2 302.378 2.638 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329020928 427026895 /nfs/dbraw/zinc/02/68/95/427026895.db2.gz HUKLIDCNCRRYOP-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329020928 427026900 /nfs/dbraw/zinc/02/69/00/427026900.db2.gz HUKLIDCNCRRYOP-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COC1CCCC1)C1CCOCC1 ZINC000329086745 427039109 /nfs/dbraw/zinc/03/91/09/427039109.db2.gz UUZDFORSLJUXKZ-INIZCTEOSA-N 1 2 321.421 2.804 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C)C1)CCC2 ZINC000329075697 427039263 /nfs/dbraw/zinc/03/92/63/427039263.db2.gz BXCVCEHFXUGOKQ-YDHLFZDLSA-N 1 2 304.438 2.961 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1CCCO1)C1CCOCC1 ZINC000329096870 427043763 /nfs/dbraw/zinc/04/37/63/427043763.db2.gz YHOATGQBXKSGEE-GDBMZVCRSA-N 1 2 321.421 2.804 20 30 DFEDLO Cc1nsc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000283627430 427046035 /nfs/dbraw/zinc/04/60/35/427046035.db2.gz TVJCJLPRISZYPN-PHIMTYICSA-N 1 2 308.451 2.623 20 30 DFEDLO Cc1nsc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000283627430 427046041 /nfs/dbraw/zinc/04/60/41/427046041.db2.gz TVJCJLPRISZYPN-PHIMTYICSA-N 1 2 308.451 2.623 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248847991 427049647 /nfs/dbraw/zinc/04/96/47/427049647.db2.gz NPBASONSIBDESH-UGSOOPFHSA-N 1 2 313.376 2.998 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248847991 427049653 /nfs/dbraw/zinc/04/96/53/427049653.db2.gz NPBASONSIBDESH-UGSOOPFHSA-N 1 2 313.376 2.998 20 30 DFEDLO CC(C)(C)n1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000329149429 427053944 /nfs/dbraw/zinc/05/39/44/427053944.db2.gz QOXDVXDEFBMVIO-UHFFFAOYSA-N 1 2 316.409 2.786 20 30 DFEDLO CC(C)(C)n1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000329149429 427053950 /nfs/dbraw/zinc/05/39/50/427053950.db2.gz QOXDVXDEFBMVIO-UHFFFAOYSA-N 1 2 316.409 2.786 20 30 DFEDLO Cc1ncsc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329268135 427079385 /nfs/dbraw/zinc/07/93/85/427079385.db2.gz GKRKRPYGJWEZCI-CYBMUJFWSA-N 1 2 309.435 2.551 20 30 DFEDLO Cc1ncsc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329268135 427079392 /nfs/dbraw/zinc/07/93/92/427079392.db2.gz GKRKRPYGJWEZCI-CYBMUJFWSA-N 1 2 309.435 2.551 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268652064 427080917 /nfs/dbraw/zinc/08/09/17/427080917.db2.gz GROWKANIVHJGJK-VQTJNVASSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268652064 427080922 /nfs/dbraw/zinc/08/09/22/427080922.db2.gz GROWKANIVHJGJK-VQTJNVASSA-N 1 2 322.408 2.883 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329359394 427097255 /nfs/dbraw/zinc/09/72/55/427097255.db2.gz BVOXDGKPLOGZGD-LLVKDONJSA-N 1 2 309.797 2.824 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCOCC2(CC2)C1 ZINC000329359394 427097261 /nfs/dbraw/zinc/09/72/61/427097261.db2.gz BVOXDGKPLOGZGD-LLVKDONJSA-N 1 2 309.797 2.824 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268730746 427105459 /nfs/dbraw/zinc/10/54/59/427105459.db2.gz XKMMSTDTYCWYGN-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268730746 427105464 /nfs/dbraw/zinc/10/54/64/427105464.db2.gz XKMMSTDTYCWYGN-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329476622 427122353 /nfs/dbraw/zinc/12/23/53/427122353.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329476622 427122363 /nfs/dbraw/zinc/12/23/63/427122363.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)n1 ZINC000329476622 427122373 /nfs/dbraw/zinc/12/23/73/427122373.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)n1 ZINC000329476622 427122378 /nfs/dbraw/zinc/12/23/78/427122378.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329476622 427122385 /nfs/dbraw/zinc/12/23/85/427122385.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329476622 427122391 /nfs/dbraw/zinc/12/23/91/427122391.db2.gz PNFASZVOENYPOX-HNNXBMFYSA-N 1 2 319.453 2.829 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000249918701 427150378 /nfs/dbraw/zinc/15/03/78/427150378.db2.gz YDYCKXWFZJRFEF-OWCLPIDISA-N 1 2 301.434 2.776 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000249918701 427150383 /nfs/dbraw/zinc/15/03/83/427150383.db2.gz YDYCKXWFZJRFEF-OWCLPIDISA-N 1 2 301.434 2.776 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1C ZINC000249882159 427151218 /nfs/dbraw/zinc/15/12/18/427151218.db2.gz NVTJCCRZLSRKIT-GOEBONIOSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1C ZINC000249882159 427151223 /nfs/dbraw/zinc/15/12/23/427151223.db2.gz NVTJCCRZLSRKIT-GOEBONIOSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1C ZINC000249882158 427151539 /nfs/dbraw/zinc/15/15/39/427151539.db2.gz NVTJCCRZLSRKIT-GDBMZVCRSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1C ZINC000249882158 427151544 /nfs/dbraw/zinc/15/15/44/427151544.db2.gz NVTJCCRZLSRKIT-GDBMZVCRSA-N 1 2 301.434 2.524 20 30 DFEDLO N#Cc1cccc(NCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000158403810 271075637 /nfs/dbraw/zinc/07/56/37/271075637.db2.gz FPYWPKSMNUZSMQ-UHFFFAOYSA-N 1 2 317.352 2.999 20 30 DFEDLO C#CCOc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277487552 427217874 /nfs/dbraw/zinc/21/78/74/427217874.db2.gz QFFXAODWSHVEMW-UHFFFAOYSA-N 1 2 308.385 2.701 20 30 DFEDLO C#CCOc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277487552 427217883 /nfs/dbraw/zinc/21/78/83/427217883.db2.gz QFFXAODWSHVEMW-UHFFFAOYSA-N 1 2 308.385 2.701 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000292983008 427210887 /nfs/dbraw/zinc/21/08/87/427210887.db2.gz BMKYEVOAOGJEAQ-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000292983008 427210891 /nfs/dbraw/zinc/21/08/91/427210891.db2.gz BMKYEVOAOGJEAQ-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccncc1F ZINC000338351777 427273890 /nfs/dbraw/zinc/27/38/90/427273890.db2.gz USTUMOZHDSFXRP-NSHDSACASA-N 1 2 323.331 2.993 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccno3)CC2)c(Cl)c1 ZINC000277733347 427299815 /nfs/dbraw/zinc/29/98/15/427299815.db2.gz KHCDPZSGKYCYHI-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C)(C#N)CC1 ZINC000330769316 427303129 /nfs/dbraw/zinc/30/31/29/427303129.db2.gz ADLFJBCNCPIYIA-CQSZACIVSA-N 1 2 318.421 3.106 20 30 DFEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000293462399 427332244 /nfs/dbraw/zinc/33/22/44/427332244.db2.gz QIBBIHYLEJNWIZ-LBPRGKRZSA-N 1 2 312.373 2.568 20 30 DFEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000293462399 427332252 /nfs/dbraw/zinc/33/22/52/427332252.db2.gz QIBBIHYLEJNWIZ-LBPRGKRZSA-N 1 2 312.373 2.568 20 30 DFEDLO C#CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000270393370 427343183 /nfs/dbraw/zinc/34/31/83/427343183.db2.gz IJLMQYOBKLFCPU-QGZVFWFLSA-N 1 2 322.412 2.947 20 30 DFEDLO C=CCn1c(N)nnc1SCc1ccc(C(C)C)[nH+]c1C ZINC000338544000 427370173 /nfs/dbraw/zinc/37/01/73/427370173.db2.gz ULUGNSCOSWGBTN-UHFFFAOYSA-N 1 2 303.435 3.165 20 30 DFEDLO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000191557599 427379749 /nfs/dbraw/zinc/37/97/49/427379749.db2.gz YXYCEZDITAZYOV-WFASDCNBSA-N 1 2 305.422 2.743 20 30 DFEDLO Cc1nn(C)c(C)c1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331311029 427396887 /nfs/dbraw/zinc/39/68/87/427396887.db2.gz HMYYRGNBNWKBGO-UHFFFAOYSA-N 1 2 315.421 2.926 20 30 DFEDLO C#CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000270994944 427366822 /nfs/dbraw/zinc/36/68/22/427366822.db2.gz FGRSLUYMQWUCPR-CYBMUJFWSA-N 1 2 310.191 2.618 20 30 DFEDLO C#CCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000270994944 427366828 /nfs/dbraw/zinc/36/68/28/427366828.db2.gz FGRSLUYMQWUCPR-CYBMUJFWSA-N 1 2 310.191 2.618 20 30 DFEDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000191938331 427449505 /nfs/dbraw/zinc/44/95/05/427449505.db2.gz HWUVAQZYJUNTJH-UHFFFAOYSA-N 1 2 321.380 2.769 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286319836 427489531 /nfs/dbraw/zinc/48/95/31/427489531.db2.gz FIWMQDFHQAHTQW-CQSZACIVSA-N 1 2 310.344 2.683 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286319836 427489539 /nfs/dbraw/zinc/48/95/39/427489539.db2.gz FIWMQDFHQAHTQW-CQSZACIVSA-N 1 2 310.344 2.683 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643153 427579760 /nfs/dbraw/zinc/57/97/60/427579760.db2.gz LFBHGNCPSLPIMS-CQSZACIVSA-N 1 2 319.405 2.840 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643153 427579767 /nfs/dbraw/zinc/57/97/67/427579767.db2.gz LFBHGNCPSLPIMS-CQSZACIVSA-N 1 2 319.405 2.840 20 30 DFEDLO COc1cccc(CCC/[NH+]=C/c2c(O)c(C)ncc2CO)c1 ZINC000263859356 427591997 /nfs/dbraw/zinc/59/19/97/427591997.db2.gz WKNSKKTUFWSNDT-YBFXNURJSA-N 1 2 314.385 2.648 20 30 DFEDLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202896 427596078 /nfs/dbraw/zinc/59/60/78/427596078.db2.gz AYWFCVIKAZVXDF-YVEFUNNKSA-N 1 2 319.405 2.596 20 30 DFEDLO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202896 427596083 /nfs/dbraw/zinc/59/60/83/427596083.db2.gz AYWFCVIKAZVXDF-YVEFUNNKSA-N 1 2 319.405 2.596 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000192899670 427633449 /nfs/dbraw/zinc/63/34/49/427633449.db2.gz CYBLDKXENVVDPL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000192899670 427633452 /nfs/dbraw/zinc/63/34/52/427633452.db2.gz CYBLDKXENVVDPL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO CC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC12CCCCC2 ZINC000333541023 427642322 /nfs/dbraw/zinc/64/23/22/427642322.db2.gz ZZBNJUGPSCPFDI-UHFFFAOYSA-N 1 2 312.417 2.633 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCS[C@H](C)C1 ZINC000264083716 427653606 /nfs/dbraw/zinc/65/36/06/427653606.db2.gz FGQPUJNPSMCWDZ-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCS[C@H](C)C1 ZINC000264083716 427653612 /nfs/dbraw/zinc/65/36/12/427653612.db2.gz FGQPUJNPSMCWDZ-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000343163530 272092379 /nfs/dbraw/zinc/09/23/79/272092379.db2.gz SSUJSWSUAVICNJ-LBPRGKRZSA-N 1 2 313.380 2.866 20 30 DFEDLO C=CC[N@H+](C[C@H]1CCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000339107879 427677158 /nfs/dbraw/zinc/67/71/58/427677158.db2.gz KJYRVEMHIFIKNH-MSOLQXFVSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[N@@H+](C[C@H]1CCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000339107879 427677161 /nfs/dbraw/zinc/67/71/61/427677161.db2.gz KJYRVEMHIFIKNH-MSOLQXFVSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000279485673 427685594 /nfs/dbraw/zinc/68/55/94/427685594.db2.gz HGGDVPOHJJNMOM-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000287928600 427716703 /nfs/dbraw/zinc/71/67/03/427716703.db2.gz QQZRHZYAFMZVGK-VHSXEESVSA-N 1 2 307.810 2.952 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336980400 427783108 /nfs/dbraw/zinc/78/31/08/427783108.db2.gz SAOPWEGUWWGHNH-ZIAGYGMSSA-N 1 2 302.422 2.683 20 30 DFEDLO CN(CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337017909 427788914 /nfs/dbraw/zinc/78/89/14/427788914.db2.gz NSOSVRMILOYXKI-UHFFFAOYSA-N 1 2 309.295 2.695 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000339269848 427746021 /nfs/dbraw/zinc/74/60/21/427746021.db2.gz GADSBHZWLGBBDL-MRXNPFEDSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000339269848 427746022 /nfs/dbraw/zinc/74/60/22/427746022.db2.gz GADSBHZWLGBBDL-MRXNPFEDSA-N 1 2 319.836 2.948 20 30 DFEDLO Cc1cn2cc(NC(=O)COc3ccccc3C#N)ccc2[nH+]1 ZINC000339267918 427746304 /nfs/dbraw/zinc/74/63/04/427746304.db2.gz BTYCFYAWYQKSHE-UHFFFAOYSA-N 1 2 306.325 2.532 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000194514287 427746626 /nfs/dbraw/zinc/74/66/26/427746626.db2.gz ZZYYVXQPNWBYKV-UHFFFAOYSA-N 1 2 314.351 2.931 20 30 DFEDLO N#Cc1cccc(N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000301394928 427793916 /nfs/dbraw/zinc/79/39/16/427793916.db2.gz DUVBDPJJDFYNAZ-UHFFFAOYSA-N 1 2 318.384 2.546 20 30 DFEDLO C=C(C)COCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301650642 427812857 /nfs/dbraw/zinc/81/28/57/427812857.db2.gz GIVVQVROPRYYBO-UHFFFAOYSA-N 1 2 309.373 2.820 20 30 DFEDLO Cc1cc(NCc2ccc(-n3cncn3)cc2)c(C#N)c(C)[nH+]1 ZINC000301669287 427814673 /nfs/dbraw/zinc/81/46/73/427814673.db2.gz NEFBMVCKUOQUHE-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO Cc1cc(N2CCC([C@@H](O)C(F)(F)F)CC2)c(C#N)c(C)[nH+]1 ZINC000301767025 427822653 /nfs/dbraw/zinc/82/26/53/427822653.db2.gz HQQWCLAWHGHFPS-CQSZACIVSA-N 1 2 313.323 2.710 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000339760956 427823849 /nfs/dbraw/zinc/82/38/49/427823849.db2.gz YDDLIULXXAYEHI-SFHVURJKSA-N 1 2 314.429 2.704 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000339760956 427823852 /nfs/dbraw/zinc/82/38/52/427823852.db2.gz YDDLIULXXAYEHI-SFHVURJKSA-N 1 2 314.429 2.704 20 30 DFEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301791517 427824446 /nfs/dbraw/zinc/82/44/46/427824446.db2.gz ZOZRHVSJBNPROX-CYBMUJFWSA-N 1 2 309.329 2.552 20 30 DFEDLO N#Cc1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c(F)c1 ZINC000301857205 427830735 /nfs/dbraw/zinc/83/07/35/427830735.db2.gz DHTWPZPLEXTMPB-UHFFFAOYSA-N 1 2 321.359 2.900 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000337284756 427832082 /nfs/dbraw/zinc/83/20/82/427832082.db2.gz JRQKQPKRYLGOBK-UHFFFAOYSA-N 1 2 300.406 2.888 20 30 DFEDLO N#Cc1ccc2c(c1)N(Cc1[nH+]ccn1CC(F)(F)F)CC2 ZINC000339822316 427838364 /nfs/dbraw/zinc/83/83/64/427838364.db2.gz RXSAIRHUSGMXBF-UHFFFAOYSA-N 1 2 306.291 2.880 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388009 427879549 /nfs/dbraw/zinc/87/95/49/427879549.db2.gz GBJBDQMPJXNIJI-SJLPKXTDSA-N 1 2 320.383 2.792 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388009 427879554 /nfs/dbraw/zinc/87/95/54/427879554.db2.gz GBJBDQMPJXNIJI-SJLPKXTDSA-N 1 2 320.383 2.792 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000345835645 427925963 /nfs/dbraw/zinc/92/59/63/427925963.db2.gz LEJKJWRQUQGLEJ-USXIJHARSA-N 1 2 320.820 2.573 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000345835645 427925966 /nfs/dbraw/zinc/92/59/66/427925966.db2.gz LEJKJWRQUQGLEJ-USXIJHARSA-N 1 2 320.820 2.573 20 30 DFEDLO Cc1cc(C#N)cc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000339968245 427891374 /nfs/dbraw/zinc/89/13/74/427891374.db2.gz WBQBSMADHFPOIU-UHFFFAOYSA-N 1 2 307.401 3.259 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337478398 427924686 /nfs/dbraw/zinc/92/46/86/427924686.db2.gz ZRFNXNWJASRKSV-UHFFFAOYSA-N 1 2 304.409 2.917 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337478398 427924691 /nfs/dbraw/zinc/92/46/91/427924691.db2.gz ZRFNXNWJASRKSV-UHFFFAOYSA-N 1 2 304.409 2.917 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000337576357 427966298 /nfs/dbraw/zinc/96/62/98/427966298.db2.gz GLCSWRAAWHXXQR-GOEBONIOSA-N 1 2 302.418 2.770 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000337593805 427971851 /nfs/dbraw/zinc/97/18/51/427971851.db2.gz IUBXUIUDPOQVSM-OAHLLOKOSA-N 1 2 317.433 2.647 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000337593805 427971852 /nfs/dbraw/zinc/97/18/52/427971852.db2.gz IUBXUIUDPOQVSM-OAHLLOKOSA-N 1 2 317.433 2.647 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413198449 427988481 /nfs/dbraw/zinc/98/84/81/427988481.db2.gz HFNINPOZFXLEBE-CQSZACIVSA-N 1 2 323.356 2.861 20 30 DFEDLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341100682 427989287 /nfs/dbraw/zinc/98/92/87/427989287.db2.gz OJRCTKVHTGUYRC-FZKQIMNGSA-N 1 2 323.396 2.834 20 30 DFEDLO Cc1noc([C@H]([NH2+]Cc2ccc(C#N)cc2)C2CCOCC2)n1 ZINC000376740683 427990486 /nfs/dbraw/zinc/99/04/86/427990486.db2.gz XTFTZUHYFAGJBC-MRXNPFEDSA-N 1 2 312.373 2.507 20 30 DFEDLO CCc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000355872455 427931396 /nfs/dbraw/zinc/93/13/96/427931396.db2.gz JUXZIPCECWUSCX-UHFFFAOYSA-N 1 2 311.433 2.907 20 30 DFEDLO CCc1nnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000355872455 427931397 /nfs/dbraw/zinc/93/13/97/427931397.db2.gz JUXZIPCECWUSCX-UHFFFAOYSA-N 1 2 311.433 2.907 20 30 DFEDLO Cc1nc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000341231970 428023163 /nfs/dbraw/zinc/02/31/63/428023163.db2.gz XTPOUXNPZAOYJG-NWDGAFQWSA-N 1 2 320.462 2.833 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC#N)C1CCCC1)C2 ZINC000369653653 428026246 /nfs/dbraw/zinc/02/62/46/428026246.db2.gz IZHPKIXWBCEJGC-ZDUSSCGKSA-N 1 2 314.433 2.933 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC#N)C1CCCC1)CC2 ZINC000369653653 428026251 /nfs/dbraw/zinc/02/62/51/428026251.db2.gz IZHPKIXWBCEJGC-ZDUSSCGKSA-N 1 2 314.433 2.933 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376959400 428033383 /nfs/dbraw/zinc/03/33/83/428033383.db2.gz YFJTWRBSTUJWDY-CQSZACIVSA-N 1 2 323.400 2.778 20 30 DFEDLO N#CC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCC1 ZINC000341317277 428034564 /nfs/dbraw/zinc/03/45/64/428034564.db2.gz SFKLCLRYUZMKFV-UHFFFAOYSA-N 1 2 314.433 2.986 20 30 DFEDLO CC(C)(CC#N)CNc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000413404588 428040641 /nfs/dbraw/zinc/04/06/41/428040641.db2.gz IJZBFEZVXCMKRL-UHFFFAOYSA-N 1 2 300.410 3.180 20 30 DFEDLO C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)Cn1cc[nH+]c1 ZINC000356151788 428044661 /nfs/dbraw/zinc/04/46/61/428044661.db2.gz XRPGUWHIEZUFPH-WBVHZDCISA-N 1 2 310.401 2.723 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000359871703 428055746 /nfs/dbraw/zinc/05/57/46/428055746.db2.gz JGKPSWWQEBZGMS-OAHLLOKOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000359871703 428055748 /nfs/dbraw/zinc/05/57/48/428055748.db2.gz JGKPSWWQEBZGMS-OAHLLOKOSA-N 1 2 302.418 2.694 20 30 DFEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccc2c(c1)OCO2 ZINC000356053829 428002798 /nfs/dbraw/zinc/00/27/98/428002798.db2.gz JEWKHSGRKUPBQD-UHFFFAOYSA-N 1 2 301.371 2.766 20 30 DFEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc2c(c1)OCO2 ZINC000356053829 428002808 /nfs/dbraw/zinc/00/28/08/428002808.db2.gz JEWKHSGRKUPBQD-UHFFFAOYSA-N 1 2 301.371 2.766 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C)(C#N)CC1)C2 ZINC000369814617 428068579 /nfs/dbraw/zinc/06/85/79/428068579.db2.gz RJWACCQEULAJNL-CYBMUJFWSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C)(C#N)CC1)CC2 ZINC000369814617 428068583 /nfs/dbraw/zinc/06/85/83/428068583.db2.gz RJWACCQEULAJNL-CYBMUJFWSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000369855170 428076281 /nfs/dbraw/zinc/07/62/81/428076281.db2.gz DBKWGEJBINIWHR-HNNXBMFYSA-N 1 2 322.412 2.992 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2n1C ZINC000356251621 428089185 /nfs/dbraw/zinc/08/91/85/428089185.db2.gz JYJYHLBGJIDGMK-UHFFFAOYSA-N 1 2 324.306 2.800 20 30 DFEDLO CCOC(=O)c1c(C)onc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000351572806 428102364 /nfs/dbraw/zinc/10/23/64/428102364.db2.gz FYNNUZIZNQTZFR-LLVKDONJSA-N 1 2 313.357 2.882 20 30 DFEDLO CC(C)Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000359990161 428105629 /nfs/dbraw/zinc/10/56/29/428105629.db2.gz AKWQSSQGXKDZOT-LJQANCHMSA-N 1 2 324.428 2.984 20 30 DFEDLO CC(C)Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000359990161 428105634 /nfs/dbraw/zinc/10/56/34/428105634.db2.gz AKWQSSQGXKDZOT-LJQANCHMSA-N 1 2 324.428 2.984 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OC)cn1 ZINC000351860360 428112751 /nfs/dbraw/zinc/11/27/51/428112751.db2.gz PXLBOXKIPHXAGO-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OC)cn1 ZINC000351860360 428112754 /nfs/dbraw/zinc/11/27/54/428112754.db2.gz PXLBOXKIPHXAGO-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO COc1c(O)cccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000352609352 428168923 /nfs/dbraw/zinc/16/89/23/428168923.db2.gz SUTQLDNLMKYXQV-GOSISDBHSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1c(O)cccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000352609352 428168926 /nfs/dbraw/zinc/16/89/26/428168926.db2.gz SUTQLDNLMKYXQV-GOSISDBHSA-N 1 2 324.380 2.846 20 30 DFEDLO C=CCC[C@@H](O)C[NH2+][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000370502756 428225925 /nfs/dbraw/zinc/22/59/25/428225925.db2.gz JVTUXDVAVKTIDL-CVEARBPZSA-N 1 2 313.401 2.953 20 30 DFEDLO N#Cc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)o1 ZINC000341859385 428230417 /nfs/dbraw/zinc/23/04/17/428230417.db2.gz NTOHUTROKVTVDR-UHFFFAOYSA-N 1 2 310.288 2.860 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000356469513 428191458 /nfs/dbraw/zinc/19/14/58/428191458.db2.gz DZTZURWXLOXJNS-HNNXBMFYSA-N 1 2 301.434 2.689 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000356469513 428191463 /nfs/dbraw/zinc/19/14/63/428191463.db2.gz DZTZURWXLOXJNS-HNNXBMFYSA-N 1 2 301.434 2.689 20 30 DFEDLO CCc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360366721 428270132 /nfs/dbraw/zinc/27/01/32/428270132.db2.gz VFAFZYYLXZXVBY-SFHVURJKSA-N 1 2 307.397 2.779 20 30 DFEDLO CCc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360366721 428270140 /nfs/dbraw/zinc/27/01/40/428270140.db2.gz VFAFZYYLXZXVBY-SFHVURJKSA-N 1 2 307.397 2.779 20 30 DFEDLO C[C@H](C(=O)NC[C@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000360366209 428270573 /nfs/dbraw/zinc/27/05/73/428270573.db2.gz RDTBYCXKEQNJKG-XJKSGUPXSA-N 1 2 308.385 2.552 20 30 DFEDLO Cc1cc(C)c(C#N)c(NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000378013172 428286511 /nfs/dbraw/zinc/28/65/11/428286511.db2.gz WTMZVGNMKXPPBD-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO C=CCN(C(=O)CCn1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000346740142 428297199 /nfs/dbraw/zinc/29/71/99/428297199.db2.gz WSTZXLPZOVQUPX-UHFFFAOYSA-N 1 2 316.430 2.828 20 30 DFEDLO CN(C(=O)c1ccc(C#N)nc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784893 428248881 /nfs/dbraw/zinc/24/88/81/428248881.db2.gz SEEJXNIMGVVYKD-INIZCTEOSA-N 1 2 317.352 2.538 20 30 DFEDLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000360328570 428254740 /nfs/dbraw/zinc/25/47/40/428254740.db2.gz OJIPVHQMIQCGDR-VKJFTORMSA-N 1 2 322.412 2.968 20 30 DFEDLO Cc1cc(C#N)cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000342121061 428307377 /nfs/dbraw/zinc/30/73/77/428307377.db2.gz RJTNKAZQDNFMPR-UHFFFAOYSA-N 1 2 309.295 2.657 20 30 DFEDLO CCCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346854847 428347998 /nfs/dbraw/zinc/34/79/98/428347998.db2.gz UHTFGNUMULBMAP-UHFFFAOYSA-N 1 2 317.408 2.990 20 30 DFEDLO CCCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346854847 428348003 /nfs/dbraw/zinc/34/80/03/428348003.db2.gz UHTFGNUMULBMAP-UHFFFAOYSA-N 1 2 317.408 2.990 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)o1 ZINC000353128756 428394560 /nfs/dbraw/zinc/39/45/60/428394560.db2.gz SIVMPVHKXNBKEN-AWEZNQCLSA-N 1 2 315.760 2.591 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3ccccn3c1C#N)CCC2 ZINC000360678368 428395984 /nfs/dbraw/zinc/39/59/84/428395984.db2.gz CYGOFVODPGQMGU-ZDUSSCGKSA-N 1 2 306.373 2.700 20 30 DFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000360601603 428363466 /nfs/dbraw/zinc/36/34/66/428363466.db2.gz YOSHEAVHDSMNNI-UHFFFAOYSA-N 1 2 319.836 2.987 20 30 DFEDLO N#Cc1nc(N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000378328130 428365801 /nfs/dbraw/zinc/36/58/01/428365801.db2.gz AITCDHARBXERPJ-LBPRGKRZSA-N 1 2 313.792 3.083 20 30 DFEDLO CC[N@H+](CC(=O)NCCCCC#N)Cc1ccccc1Cl ZINC000353109069 428387408 /nfs/dbraw/zinc/38/74/08/428387408.db2.gz GMRLPGDAVIAAEH-UHFFFAOYSA-N 1 2 307.825 2.972 20 30 DFEDLO CC[N@@H+](CC(=O)NCCCCC#N)Cc1ccccc1Cl ZINC000353109069 428387413 /nfs/dbraw/zinc/38/74/13/428387413.db2.gz GMRLPGDAVIAAEH-UHFFFAOYSA-N 1 2 307.825 2.972 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccccc2OC)C1=O ZINC000372344552 428433505 /nfs/dbraw/zinc/43/35/05/428433505.db2.gz CQWZIISDAJGAOJ-HOCLYGCPSA-N 1 2 315.417 2.672 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccccc2OC)C1=O ZINC000372344552 428433507 /nfs/dbraw/zinc/43/35/07/428433507.db2.gz CQWZIISDAJGAOJ-HOCLYGCPSA-N 1 2 315.417 2.672 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CC(C)(C)C#N)C2 ZINC000353250133 428450959 /nfs/dbraw/zinc/45/09/59/428450959.db2.gz MEANPNIOAGGECL-LBPRGKRZSA-N 1 2 302.422 2.646 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CC(C)(C)C#N)CC2 ZINC000353250133 428450963 /nfs/dbraw/zinc/45/09/63/428450963.db2.gz MEANPNIOAGGECL-LBPRGKRZSA-N 1 2 302.422 2.646 20 30 DFEDLO COC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(C)o1 ZINC000342770744 428451104 /nfs/dbraw/zinc/45/11/04/428451104.db2.gz ZOMXEKGIZBDRKI-HNNXBMFYSA-N 1 2 310.357 2.585 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)C[C@H](C)C#N ZINC000353284850 428466978 /nfs/dbraw/zinc/46/69/78/428466978.db2.gz GWGBCVKKIWSFED-HUUCEWRRSA-N 1 2 317.433 2.696 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)C[C@H](C)C#N ZINC000353284850 428466983 /nfs/dbraw/zinc/46/69/83/428466983.db2.gz GWGBCVKKIWSFED-HUUCEWRRSA-N 1 2 317.433 2.696 20 30 DFEDLO CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C[C@H](C)C#N ZINC000353284241 428467782 /nfs/dbraw/zinc/46/77/82/428467782.db2.gz UTDCYQPGSPHSKR-GFCCVEGCSA-N 1 2 307.360 2.515 20 30 DFEDLO CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C[C@H](C)C#N ZINC000353284241 428467790 /nfs/dbraw/zinc/46/77/90/428467790.db2.gz UTDCYQPGSPHSKR-GFCCVEGCSA-N 1 2 307.360 2.515 20 30 DFEDLO N#Cc1ccnc(NCc2ccc(N3CCCC3)[nH+]c2)c1Cl ZINC000347056096 428429450 /nfs/dbraw/zinc/42/94/50/428429450.db2.gz RIBYWMAMCUBQMB-UHFFFAOYSA-N 1 2 313.792 3.214 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1C#N ZINC000353203088 428431384 /nfs/dbraw/zinc/43/13/84/428431384.db2.gz MGHOKWOHTLPYHL-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(F)cc1C#N ZINC000353203088 428431389 /nfs/dbraw/zinc/43/13/89/428431389.db2.gz MGHOKWOHTLPYHL-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373106365 428517764 /nfs/dbraw/zinc/51/77/64/428517764.db2.gz IJTDAFREMOCMAN-HNNXBMFYSA-N 1 2 308.385 2.813 20 30 DFEDLO C[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000357302191 428472792 /nfs/dbraw/zinc/47/27/92/428472792.db2.gz FTMCNKGHWGVKQJ-UHFFFAOYSA-N 1 2 315.446 2.540 20 30 DFEDLO C[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000357302191 428472799 /nfs/dbraw/zinc/47/27/99/428472799.db2.gz FTMCNKGHWGVKQJ-UHFFFAOYSA-N 1 2 315.446 2.540 20 30 DFEDLO N#Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)c(F)c1 ZINC000343185434 428533130 /nfs/dbraw/zinc/53/31/30/428533130.db2.gz BTXRRRRHOYGXFS-UHFFFAOYSA-N 1 2 317.389 2.930 20 30 DFEDLO N#CC1(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000343235659 428538008 /nfs/dbraw/zinc/53/80/08/428538008.db2.gz FLHRAQSOBMABDM-UHFFFAOYSA-N 1 2 307.800 2.900 20 30 DFEDLO C=CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CC1 ZINC000357528726 428542710 /nfs/dbraw/zinc/54/27/10/428542710.db2.gz JGKYWRGLYQNBRA-UHFFFAOYSA-N 1 2 303.337 2.938 20 30 DFEDLO C=CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CC1 ZINC000357528726 428542717 /nfs/dbraw/zinc/54/27/17/428542717.db2.gz JGKYWRGLYQNBRA-UHFFFAOYSA-N 1 2 303.337 2.938 20 30 DFEDLO COc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1C#N ZINC000343369953 428547394 /nfs/dbraw/zinc/54/73/94/428547394.db2.gz PYODJGFPNBOLTQ-UHFFFAOYSA-N 1 2 308.385 3.174 20 30 DFEDLO C[C@@H](C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000357831092 428565637 /nfs/dbraw/zinc/56/56/37/428565637.db2.gz OJTYGTLZNYEJHX-SMDDNHRTSA-N 1 2 323.799 2.892 20 30 DFEDLO C=C(CC)C[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000358516236 428603488 /nfs/dbraw/zinc/60/34/88/428603488.db2.gz ZAQDBLYEXVPZRV-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=C(CC)C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000358516236 428603498 /nfs/dbraw/zinc/60/34/98/428603498.db2.gz ZAQDBLYEXVPZRV-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000347706591 428623247 /nfs/dbraw/zinc/62/32/47/428623247.db2.gz OZLSABUFCXYXBF-GWCFXTLKSA-N 1 2 311.307 2.926 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000347696626 428623260 /nfs/dbraw/zinc/62/32/60/428623260.db2.gz XBXKAXICNXMWTM-MFKMUULPSA-N 1 2 307.781 2.569 20 30 DFEDLO C=CCN1CC[C@H](N(C)c2cc(C)[nH+]c3c(F)cccc23)C1=O ZINC000358666461 428625055 /nfs/dbraw/zinc/62/50/55/428625055.db2.gz PNJDCZJFERXXSO-HNNXBMFYSA-N 1 2 313.376 2.905 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373816624 428649363 /nfs/dbraw/zinc/64/93/63/428649363.db2.gz WKLZECKKALFARV-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373816624 428649371 /nfs/dbraw/zinc/64/93/71/428649371.db2.gz WKLZECKKALFARV-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000374386242 428676237 /nfs/dbraw/zinc/67/62/37/428676237.db2.gz MMGHHBFZAMEBOY-GOSISDBHSA-N 1 2 323.371 2.678 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(F)c3C#N)cn2c1 ZINC000358773759 428669738 /nfs/dbraw/zinc/66/97/38/428669738.db2.gz ZTBYYHKOABZQGT-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000374324405 428674539 /nfs/dbraw/zinc/67/45/39/428674539.db2.gz KWPBJWFOKQBOIE-GOSISDBHSA-N 1 2 323.371 2.678 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(CCOC(C)C)CC2)cc1 ZINC000353773876 428708454 /nfs/dbraw/zinc/70/84/54/428708454.db2.gz FQDRZEGEILZYSU-UHFFFAOYSA-N 1 2 318.461 2.794 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362279888 428684711 /nfs/dbraw/zinc/68/47/11/428684711.db2.gz SEWRAURVOLSYNN-AWEZNQCLSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362279888 428684714 /nfs/dbraw/zinc/68/47/14/428684714.db2.gz SEWRAURVOLSYNN-AWEZNQCLSA-N 1 2 303.381 2.578 20 30 DFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000358986903 428761638 /nfs/dbraw/zinc/76/16/38/428761638.db2.gz UWLMUMBNMBLKJO-UHFFFAOYSA-N 1 2 319.836 2.842 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+](CC)CCC#N)c(OC)c1 ZINC000348538446 428778379 /nfs/dbraw/zinc/77/83/79/428778379.db2.gz CUGAUHPTOBPSLW-HQQUCIOCSA-N 1 2 318.417 2.704 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](CC)CCC#N)c(OC)c1 ZINC000348538446 428778383 /nfs/dbraw/zinc/77/83/83/428778383.db2.gz CUGAUHPTOBPSLW-HQQUCIOCSA-N 1 2 318.417 2.704 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000348550817 428787374 /nfs/dbraw/zinc/78/73/74/428787374.db2.gz UAFCUCAPMDELCC-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000348550817 428787382 /nfs/dbraw/zinc/78/73/82/428787382.db2.gz UAFCUCAPMDELCC-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000362614504 428793460 /nfs/dbraw/zinc/79/34/60/428793460.db2.gz PPXCJSCVDDAAIC-KKUMJFAQSA-N 1 2 317.433 2.992 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348810226 428847811 /nfs/dbraw/zinc/84/78/11/428847811.db2.gz MMVGIIZMHMUWCE-UHFFFAOYSA-N 1 2 320.408 2.617 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348810226 428847818 /nfs/dbraw/zinc/84/78/18/428847818.db2.gz MMVGIIZMHMUWCE-UHFFFAOYSA-N 1 2 320.408 2.617 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411481177 428804188 /nfs/dbraw/zinc/80/41/88/428804188.db2.gz AMUZIWMYYKSZNK-LSDHHAIUSA-N 1 2 308.422 2.503 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411481177 428804193 /nfs/dbraw/zinc/80/41/93/428804193.db2.gz AMUZIWMYYKSZNK-LSDHHAIUSA-N 1 2 308.422 2.503 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(C2(C#N)CCC2)n1 ZINC000359121677 428827797 /nfs/dbraw/zinc/82/77/97/428827797.db2.gz NHNNNEXNDDQOFV-UHFFFAOYSA-N 1 2 307.357 2.916 20 30 DFEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1c(F)cncc1F ZINC000348831149 428853250 /nfs/dbraw/zinc/85/32/50/428853250.db2.gz FKNWBUICWCPWDA-SNVBAGLBSA-N 1 2 313.311 2.730 20 30 DFEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc2c1OCCO2 ZINC000354033407 428833217 /nfs/dbraw/zinc/83/32/17/428833217.db2.gz LCIUOSGWYYBUSL-LBPRGKRZSA-N 1 2 302.374 2.590 20 30 DFEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc2c1OCCO2 ZINC000354033407 428833223 /nfs/dbraw/zinc/83/32/23/428833223.db2.gz LCIUOSGWYYBUSL-LBPRGKRZSA-N 1 2 302.374 2.590 20 30 DFEDLO N#CC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC1 ZINC000418141691 428888785 /nfs/dbraw/zinc/88/87/85/428888785.db2.gz LKAOVBUJFKBZKR-UHFFFAOYSA-N 1 2 319.206 2.880 20 30 DFEDLO C=CCCCN(C)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349127495 428923458 /nfs/dbraw/zinc/92/34/58/428923458.db2.gz IKVIFKFKAINMRH-UHFFFAOYSA-N 1 2 324.428 3.435 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1)C1CC1 ZINC000363495703 428928748 /nfs/dbraw/zinc/92/87/48/428928748.db2.gz KVVJQBQNRANQCE-WMLDXEAASA-N 1 2 301.390 2.615 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccco1)C1CC1 ZINC000363495703 428928755 /nfs/dbraw/zinc/92/87/55/428928755.db2.gz KVVJQBQNRANQCE-WMLDXEAASA-N 1 2 301.390 2.615 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419261949 428929132 /nfs/dbraw/zinc/92/91/32/428929132.db2.gz ROQGLLVAYLOEAD-BPUTZDHNSA-N 1 2 304.365 2.582 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000419300642 428931598 /nfs/dbraw/zinc/93/15/98/428931598.db2.gz MJSGZNDUKMWFAE-GOEBONIOSA-N 1 2 316.401 2.567 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000349230712 428941194 /nfs/dbraw/zinc/94/11/94/428941194.db2.gz BHJWIAOBPOQOQZ-UHFFFAOYSA-N 1 2 314.776 2.603 20 30 DFEDLO C=CCC[C@H]1NC(=O)N(CCC[N@@H+](CC)c2ccccc2)C1=O ZINC000419925096 428941922 /nfs/dbraw/zinc/94/19/22/428941922.db2.gz NZELYGCXJYULGO-MRXNPFEDSA-N 1 2 315.417 2.790 20 30 DFEDLO C=CCC[C@H]1NC(=O)N(CCC[N@H+](CC)c2ccccc2)C1=O ZINC000419925096 428941927 /nfs/dbraw/zinc/94/19/27/428941927.db2.gz NZELYGCXJYULGO-MRXNPFEDSA-N 1 2 315.417 2.790 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccon2)c(C#N)c1C ZINC000349245462 428946336 /nfs/dbraw/zinc/94/63/36/428946336.db2.gz RKCHVDVFWMYSMG-SECBINFHSA-N 1 2 304.375 2.514 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCc3ccc(C#N)cc3)cc2n1C ZINC000354310106 428964465 /nfs/dbraw/zinc/96/44/65/428964465.db2.gz FTVFUMQGJFVHHX-UHFFFAOYSA-N 1 2 304.353 2.683 20 30 DFEDLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N)cc1C ZINC000433321207 429023684 /nfs/dbraw/zinc/02/36/84/429023684.db2.gz UQJPLVKTQJLCBT-OAHLLOKOSA-N 1 2 301.434 2.962 20 30 DFEDLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000433321207 429023689 /nfs/dbraw/zinc/02/36/89/429023689.db2.gz UQJPLVKTQJLCBT-OAHLLOKOSA-N 1 2 301.434 2.962 20 30 DFEDLO CCc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)cc(C)[nH+]1 ZINC000376394664 429104415 /nfs/dbraw/zinc/10/44/15/429104415.db2.gz HQEGBAAWIMUFFB-INIZCTEOSA-N 1 2 308.385 2.797 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(C#N)cc1 ZINC000435128668 429124837 /nfs/dbraw/zinc/12/48/37/429124837.db2.gz JCASDONXFGZOCL-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000435128668 429124841 /nfs/dbraw/zinc/12/48/41/429124841.db2.gz JCASDONXFGZOCL-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000424637615 429168557 /nfs/dbraw/zinc/16/85/57/429168557.db2.gz IYHFVRLQYFCCRL-UHFFFAOYSA-N 1 2 307.463 2.780 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000424637615 429168560 /nfs/dbraw/zinc/16/85/60/429168560.db2.gz IYHFVRLQYFCCRL-UHFFFAOYSA-N 1 2 307.463 2.780 20 30 DFEDLO N#Cc1cc2c(nc1NCc1ccnc(-n3cc[nH+]c3)c1)CCC2 ZINC000364024085 429159205 /nfs/dbraw/zinc/15/92/05/429159205.db2.gz ULSRMCCXNZRFGB-UHFFFAOYSA-N 1 2 316.368 2.635 20 30 DFEDLO CCOCCN1CC[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1CC ZINC000487933616 429174497 /nfs/dbraw/zinc/17/44/97/429174497.db2.gz VJDWFJZVCVMXIS-LJQANCHMSA-N 1 2 315.461 2.799 20 30 DFEDLO CCOCCN1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1CC ZINC000487933616 429174501 /nfs/dbraw/zinc/17/45/01/429174501.db2.gz VJDWFJZVCVMXIS-LJQANCHMSA-N 1 2 315.461 2.799 20 30 DFEDLO Cc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1C#N ZINC000488124160 429176590 /nfs/dbraw/zinc/17/65/90/429176590.db2.gz JUJHOLYRSFWZJX-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO N#CCc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000455904835 429223353 /nfs/dbraw/zinc/22/33/53/429223353.db2.gz KOGYCQJUVUPQIR-INIZCTEOSA-N 1 2 321.384 2.548 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000364595581 429231462 /nfs/dbraw/zinc/23/14/62/429231462.db2.gz PDJHATJRNLAICA-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000364595581 429231466 /nfs/dbraw/zinc/23/14/66/429231466.db2.gz PDJHATJRNLAICA-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccccn1 ZINC000488891591 429205047 /nfs/dbraw/zinc/20/50/47/429205047.db2.gz BYCXPLABCCUCMK-UHFFFAOYSA-N 1 2 312.402 2.552 20 30 DFEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000495890176 429287694 /nfs/dbraw/zinc/28/76/94/429287694.db2.gz HFMNWCGVNWBDDO-UHFFFAOYSA-N 1 2 322.434 2.504 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425115527 429234717 /nfs/dbraw/zinc/23/47/17/429234717.db2.gz UHOXAGVGTBXFJO-SWLSCSKDSA-N 1 2 308.385 2.921 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442830403 429238714 /nfs/dbraw/zinc/23/87/14/429238714.db2.gz SGBXAZWXKJBJMV-RDTXWAMCSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CCCCN(C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442941563 429241700 /nfs/dbraw/zinc/24/17/00/429241700.db2.gz IFULFLKBMFONGJ-UHFFFAOYSA-N 1 2 319.430 2.518 20 30 DFEDLO N#Cc1c2c(cnc1NCCCc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000425203416 429244846 /nfs/dbraw/zinc/24/48/46/429244846.db2.gz FKXHAMGFIONUEU-UHFFFAOYSA-N 1 2 317.396 3.363 20 30 DFEDLO Cc1cc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(C#N)c[nH+]1 ZINC000425228409 429248340 /nfs/dbraw/zinc/24/83/40/429248340.db2.gz BCTNZGRLEFOVJM-ZDUSSCGKSA-N 1 2 314.339 2.653 20 30 DFEDLO CCOC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)Cc2ccccc21 ZINC000425230090 429248500 /nfs/dbraw/zinc/24/85/00/429248500.db2.gz CKLIKKSDBDEVHC-QGZVFWFLSA-N 1 2 321.380 2.929 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C(=O)OCC ZINC000489502994 429248658 /nfs/dbraw/zinc/24/86/58/429248658.db2.gz XAHWHLYYDXYHGK-GFCCVEGCSA-N 1 2 322.430 2.904 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C(=O)OCC ZINC000489502994 429248660 /nfs/dbraw/zinc/24/86/60/429248660.db2.gz XAHWHLYYDXYHGK-GFCCVEGCSA-N 1 2 322.430 2.904 20 30 DFEDLO Cc1cc(NCCCc2[nH+]c3ccccc3n2C)c(C#N)cn1 ZINC000425222903 429248646 /nfs/dbraw/zinc/24/86/46/429248646.db2.gz BJDOHBJYQGEHNQ-UHFFFAOYSA-N 1 2 305.385 2.615 20 30 DFEDLO COc1ccc([C@@H](OC)[C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425246895 429251868 /nfs/dbraw/zinc/25/18/68/429251868.db2.gz MQOWIOYVNAQFCB-UGSOOPFHSA-N 1 2 311.385 2.880 20 30 DFEDLO Cc1cc(NC[C@@H]2CCN(c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425266016 429254746 /nfs/dbraw/zinc/25/47/46/429254746.db2.gz GPBDXNPSRBJQAY-AWEZNQCLSA-N 1 2 310.376 2.761 20 30 DFEDLO CC[C@@]1(CNc2cc(C)[nH+]cc2C#N)OCCc2ccccc21 ZINC000425268366 429255035 /nfs/dbraw/zinc/25/50/35/429255035.db2.gz OINSYCDYPXTTFH-IBGZPJMESA-N 1 2 307.397 2.974 20 30 DFEDLO C=CC[N@H+](Cc1cnc(N(C)C)n1C)Cc1ccc(OC)cc1 ZINC000425319255 429261711 /nfs/dbraw/zinc/26/17/11/429261711.db2.gz ALGWMEGTZMDDOE-UHFFFAOYSA-N 1 2 314.433 2.683 20 30 DFEDLO C=CC[N@@H+](Cc1cnc(N(C)C)n1C)Cc1ccc(OC)cc1 ZINC000425319255 429261714 /nfs/dbraw/zinc/26/17/14/429261714.db2.gz ALGWMEGTZMDDOE-UHFFFAOYSA-N 1 2 314.433 2.683 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000364845260 429268007 /nfs/dbraw/zinc/26/80/07/429268007.db2.gz HAGUUGUWZJMAQQ-INIZCTEOSA-N 1 2 324.432 2.552 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000364845260 429268008 /nfs/dbraw/zinc/26/80/08/429268008.db2.gz HAGUUGUWZJMAQQ-INIZCTEOSA-N 1 2 324.432 2.552 20 30 DFEDLO Cc1cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000444740387 429276540 /nfs/dbraw/zinc/27/65/40/429276540.db2.gz FYVSQBQKXZQCDH-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000444740387 429276547 /nfs/dbraw/zinc/27/65/47/429276547.db2.gz FYVSQBQKXZQCDH-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000425365015 429278471 /nfs/dbraw/zinc/27/84/71/429278471.db2.gz IMHQQLIHMJCPGJ-LJQANCHMSA-N 1 2 319.408 2.621 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000425365015 429278475 /nfs/dbraw/zinc/27/84/75/429278475.db2.gz IMHQQLIHMJCPGJ-LJQANCHMSA-N 1 2 319.408 2.621 20 30 DFEDLO COc1nccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000449046527 429323524 /nfs/dbraw/zinc/32/35/24/429323524.db2.gz LLLJSYJEZRSTPQ-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000449046527 429323527 /nfs/dbraw/zinc/32/35/27/429323527.db2.gz LLLJSYJEZRSTPQ-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000491179697 429331279 /nfs/dbraw/zinc/33/12/79/429331279.db2.gz HAOOKTBEYOHVHS-OAHLLOKOSA-N 1 2 319.767 2.636 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)C1CC1 ZINC000491274660 429341133 /nfs/dbraw/zinc/34/11/33/429341133.db2.gz AERSSIIQPUXGOK-UHFFFAOYSA-N 1 2 313.426 2.831 20 30 DFEDLO C#CC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)C1CC1 ZINC000491274660 429341137 /nfs/dbraw/zinc/34/11/37/429341137.db2.gz AERSSIIQPUXGOK-UHFFFAOYSA-N 1 2 313.426 2.831 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1F ZINC000365264524 429291880 /nfs/dbraw/zinc/29/18/80/429291880.db2.gz GNKGULBRZNCJEH-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000445994311 429295214 /nfs/dbraw/zinc/29/52/14/429295214.db2.gz WFTDBTQAQSAUJR-INIZCTEOSA-N 1 2 304.821 2.538 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000445994311 429295216 /nfs/dbraw/zinc/29/52/16/429295216.db2.gz WFTDBTQAQSAUJR-INIZCTEOSA-N 1 2 304.821 2.538 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456410748 429301922 /nfs/dbraw/zinc/30/19/22/429301922.db2.gz GLPNMCDOHHWPDL-IUODEOHRSA-N 1 2 324.384 2.734 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425470617 429302535 /nfs/dbraw/zinc/30/25/35/429302535.db2.gz GHCYSGDXVVHVPN-GFCCVEGCSA-N 1 2 314.476 2.539 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425470617 429302541 /nfs/dbraw/zinc/30/25/41/429302541.db2.gz GHCYSGDXVVHVPN-GFCCVEGCSA-N 1 2 314.476 2.539 20 30 DFEDLO C=CCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000447979180 429308717 /nfs/dbraw/zinc/30/87/17/429308717.db2.gz AGEJOLHFPSWVTD-UHFFFAOYSA-N 1 2 312.417 2.739 20 30 DFEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC=CCC1 ZINC000448577522 429313805 /nfs/dbraw/zinc/31/38/05/429313805.db2.gz JEPMOZUSIAKTOV-FQEVSTJZSA-N 1 2 323.440 2.949 20 30 DFEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496814778 429316695 /nfs/dbraw/zinc/31/66/95/429316695.db2.gz LLESDFBAFIVXTJ-GFCCVEGCSA-N 1 2 322.434 2.504 20 30 DFEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496814778 429316700 /nfs/dbraw/zinc/31/67/00/429316700.db2.gz LLESDFBAFIVXTJ-GFCCVEGCSA-N 1 2 322.434 2.504 20 30 DFEDLO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533089 429317091 /nfs/dbraw/zinc/31/70/91/429317091.db2.gz KFQHSVSPKINEDD-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533089 429317095 /nfs/dbraw/zinc/31/70/95/429317095.db2.gz KFQHSVSPKINEDD-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000491701365 429392556 /nfs/dbraw/zinc/39/25/56/429392556.db2.gz PQOCVOUBCXOGQN-INIZCTEOSA-N 1 2 310.401 2.719 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491705005 429393561 /nfs/dbraw/zinc/39/35/61/429393561.db2.gz IJDISMKMWFOCGQ-IAQYHMDHSA-N 1 2 301.777 2.732 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491705005 429393565 /nfs/dbraw/zinc/39/35/65/429393565.db2.gz IJDISMKMWFOCGQ-IAQYHMDHSA-N 1 2 301.777 2.732 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2scnc2C2CC2)n1 ZINC000491723384 429397668 /nfs/dbraw/zinc/39/76/68/429397668.db2.gz BFDMDPNMHUEAKE-UHFFFAOYSA-N 1 2 300.431 2.872 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2scnc2C2CC2)n1 ZINC000491723384 429397672 /nfs/dbraw/zinc/39/76/72/429397672.db2.gz BFDMDPNMHUEAKE-UHFFFAOYSA-N 1 2 300.431 2.872 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000491733106 429398547 /nfs/dbraw/zinc/39/85/47/429398547.db2.gz IAAQXQXHKYPGAP-HIFRSBDPSA-N 1 2 313.788 2.590 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000491764993 429404339 /nfs/dbraw/zinc/40/43/39/429404339.db2.gz BFQJJPUEOZUFPJ-UHFFFAOYSA-N 1 2 322.412 2.525 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000491764993 429404341 /nfs/dbraw/zinc/40/43/41/429404341.db2.gz BFQJJPUEOZUFPJ-UHFFFAOYSA-N 1 2 322.412 2.525 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000491791875 429409492 /nfs/dbraw/zinc/40/94/92/429409492.db2.gz CHPYPKKOTMONLM-JTQLQIEISA-N 1 2 320.190 2.953 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000491791875 429409495 /nfs/dbraw/zinc/40/94/95/429409495.db2.gz CHPYPKKOTMONLM-JTQLQIEISA-N 1 2 320.190 2.953 20 30 DFEDLO O=C(NCCn1cc[nH+]c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000515503392 429377445 /nfs/dbraw/zinc/37/74/45/429377445.db2.gz SNTZAEPRDTYIGI-UHFFFAOYSA-N 1 2 315.376 2.713 20 30 DFEDLO C#C[C@H](CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491624103 429379738 /nfs/dbraw/zinc/37/97/38/429379738.db2.gz JKKPGUYRQSTQHP-SJLPKXTDSA-N 1 2 324.428 2.952 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)c1ccc(F)cc1 ZINC000491619052 429380669 /nfs/dbraw/zinc/38/06/69/429380669.db2.gz FFRLZZLMIWUXIN-MRXNPFEDSA-N 1 2 301.317 2.978 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000366428623 429451213 /nfs/dbraw/zinc/45/12/13/429451213.db2.gz LJRMFIQPAIVUEV-CQSZACIVSA-N 1 2 309.373 2.762 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000491811874 429414641 /nfs/dbraw/zinc/41/46/41/429414641.db2.gz MSFLJSJJOATWMD-ZDUSSCGKSA-N 1 2 313.426 2.778 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000491811874 429414647 /nfs/dbraw/zinc/41/46/47/429414647.db2.gz MSFLJSJJOATWMD-ZDUSSCGKSA-N 1 2 313.426 2.778 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000491893179 429428987 /nfs/dbraw/zinc/42/89/87/429428987.db2.gz NTXPIYJIKVILHS-MDZDMXLPSA-N 1 2 306.369 2.585 20 30 DFEDLO Cc1cc(C[NH2+]Cc2nn(C)cc2Br)ccc1C#N ZINC000449485597 429430914 /nfs/dbraw/zinc/43/09/14/429430914.db2.gz QOJMVNKVWWWZAY-UHFFFAOYSA-N 1 2 319.206 2.653 20 30 DFEDLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000519743505 429483804 /nfs/dbraw/zinc/48/38/04/429483804.db2.gz SCFPXJIZEOGADL-DLBZAZTESA-N 1 2 309.417 2.878 20 30 DFEDLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000519743505 429483807 /nfs/dbraw/zinc/48/38/07/429483807.db2.gz SCFPXJIZEOGADL-DLBZAZTESA-N 1 2 309.417 2.878 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)sc1Cl ZINC000520819788 429530432 /nfs/dbraw/zinc/53/04/32/429530432.db2.gz MKTLAICSIFJHCD-LLVKDONJSA-N 1 2 306.218 2.629 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000520000359 429499299 /nfs/dbraw/zinc/49/92/99/429499299.db2.gz VTKDDNHJOYSQMI-HOCLYGCPSA-N 1 2 313.401 2.607 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000520000357 429499626 /nfs/dbraw/zinc/49/96/26/429499626.db2.gz VTKDDNHJOYSQMI-GDBMZVCRSA-N 1 2 313.401 2.607 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000520000360 429500283 /nfs/dbraw/zinc/50/02/83/429500283.db2.gz VTKDDNHJOYSQMI-ZBFHGGJFSA-N 1 2 313.401 2.607 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428236665 429503044 /nfs/dbraw/zinc/50/30/44/429503044.db2.gz IHJKCXRWRBWGBM-CQSZACIVSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428236665 429503048 /nfs/dbraw/zinc/50/30/48/429503048.db2.gz IHJKCXRWRBWGBM-CQSZACIVSA-N 1 2 317.408 2.824 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429140318 429581966 /nfs/dbraw/zinc/58/19/66/429581966.db2.gz YVEUVXZZDLCVMP-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429140318 429581969 /nfs/dbraw/zinc/58/19/69/429581969.db2.gz YVEUVXZZDLCVMP-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000367150703 429586451 /nfs/dbraw/zinc/58/64/51/429586451.db2.gz IRBYASXPMFMEKO-KRWDZBQOSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000367150703 429586454 /nfs/dbraw/zinc/58/64/54/429586454.db2.gz IRBYASXPMFMEKO-KRWDZBQOSA-N 1 2 305.805 2.573 20 30 DFEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000450474304 429635896 /nfs/dbraw/zinc/63/58/96/429635896.db2.gz PXLJULSYSULSIP-LPHOPBHVSA-N 1 2 309.413 2.962 20 30 DFEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000450474304 429635897 /nfs/dbraw/zinc/63/58/97/429635897.db2.gz PXLJULSYSULSIP-LPHOPBHVSA-N 1 2 309.413 2.962 20 30 DFEDLO CN(C)c1nc(NCC2CCC(C#N)CC2)[nH+]c2ccccc21 ZINC000450498795 429640287 /nfs/dbraw/zinc/64/02/87/429640287.db2.gz IEUCZLRFYUWRKZ-UHFFFAOYSA-N 1 2 309.417 3.438 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429294829 429598041 /nfs/dbraw/zinc/59/80/41/429598041.db2.gz SHQZFWJOPIVSJC-GDBMZVCRSA-N 1 2 318.442 2.847 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CSC)C1 ZINC000429294829 429598045 /nfs/dbraw/zinc/59/80/45/429598045.db2.gz SHQZFWJOPIVSJC-GDBMZVCRSA-N 1 2 318.442 2.847 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(C#N)c([N+](=O)[O-])c2)CC1(C)C ZINC000450642250 429668285 /nfs/dbraw/zinc/66/82/85/429668285.db2.gz IEPXVTMQOWZUTR-CQSZACIVSA-N 1 2 311.345 2.787 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)nc1 ZINC000367584450 429678715 /nfs/dbraw/zinc/67/87/15/429678715.db2.gz APGAYSSJNUIXFN-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)nc1 ZINC000367584450 429678721 /nfs/dbraw/zinc/67/87/21/429678721.db2.gz APGAYSSJNUIXFN-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO C[C@]12CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000459494122 429698755 /nfs/dbraw/zinc/69/87/55/429698755.db2.gz QMTAZMVKMFDBMC-KGLIPLIRSA-N 1 2 307.300 2.944 20 30 DFEDLO C[C@]12CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000459494122 429698759 /nfs/dbraw/zinc/69/87/59/429698759.db2.gz QMTAZMVKMFDBMC-KGLIPLIRSA-N 1 2 307.300 2.944 20 30 DFEDLO CC(C)Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493123857 429694398 /nfs/dbraw/zinc/69/43/98/429694398.db2.gz VSIMKEAGCZAUSR-GNISGLHKSA-N 1 2 313.445 2.858 20 30 DFEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC2(C#N)CCC2)n1C ZINC000450786061 429699795 /nfs/dbraw/zinc/69/97/95/429699795.db2.gz CNDPSKSXZSIMQI-OAHLLOKOSA-N 1 2 314.433 2.606 20 30 DFEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2CC2(C#N)CCC2)n1C ZINC000450786061 429699799 /nfs/dbraw/zinc/69/97/99/429699799.db2.gz CNDPSKSXZSIMQI-OAHLLOKOSA-N 1 2 314.433 2.606 20 30 DFEDLO COc1ccc(OC)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000459619692 429701157 /nfs/dbraw/zinc/70/11/57/429701157.db2.gz UWMOMVYJSADCGB-UHFFFAOYSA-N 1 2 324.380 2.839 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccn(C)n1 ZINC000459796300 429702345 /nfs/dbraw/zinc/70/23/45/429702345.db2.gz RCKQFFCZNLPQDU-JTQLQIEISA-N 1 2 306.316 2.744 20 30 DFEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc[nH+]cc1CC ZINC000464430457 429708061 /nfs/dbraw/zinc/70/80/61/429708061.db2.gz ZMLACFYAPLYODG-UHFFFAOYSA-N 1 2 312.369 2.892 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518912 429723355 /nfs/dbraw/zinc/72/33/55/429723355.db2.gz MKZXTFAKUNQZAZ-CJNGLKHVSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518912 429723359 /nfs/dbraw/zinc/72/33/59/429723359.db2.gz MKZXTFAKUNQZAZ-CJNGLKHVSA-N 1 2 305.805 2.965 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)C(=O)OC ZINC000482451030 429726304 /nfs/dbraw/zinc/72/63/04/429726304.db2.gz KDJVMLGEMYVHGC-XBVQOTNRSA-N 1 2 303.402 2.512 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)cc1 ZINC000368018233 429768185 /nfs/dbraw/zinc/76/81/85/429768185.db2.gz JEAMMTCYUJAAIK-MRXNPFEDSA-N 1 2 311.385 2.748 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)cc1 ZINC000368018233 429768188 /nfs/dbraw/zinc/76/81/88/429768188.db2.gz JEAMMTCYUJAAIK-MRXNPFEDSA-N 1 2 311.385 2.748 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(F)cc1 ZINC000431737115 429779380 /nfs/dbraw/zinc/77/93/80/429779380.db2.gz FAEWRNQDQWSKDG-HNNXBMFYSA-N 1 2 324.315 2.543 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527729036 429787798 /nfs/dbraw/zinc/78/77/98/429787798.db2.gz WOAJIBLNIQMSFN-UHFFFAOYSA-N 1 2 305.447 2.722 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000431864261 429788100 /nfs/dbraw/zinc/78/81/00/429788100.db2.gz WBOWJZVKZVPXHU-LBPRGKRZSA-N 1 2 310.357 2.522 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(OCC#N)cc2)c2[nH+]ccn21 ZINC000493579621 429789106 /nfs/dbraw/zinc/78/91/06/429789106.db2.gz GWUDREWLKWGSQO-WGXYTZMTSA-N 1 2 322.368 2.621 20 30 DFEDLO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1nnc2n1CCCC2 ZINC000451412920 429825046 /nfs/dbraw/zinc/82/50/46/429825046.db2.gz OZNNKYWFDHCVGZ-UHFFFAOYSA-N 1 2 313.380 2.650 20 30 DFEDLO COc1cc(C)[nH+]c(Cn2cc(C#N)c(=O)c3ccccc32)c1 ZINC000432527443 429829204 /nfs/dbraw/zinc/82/92/04/429829204.db2.gz PLSMPLXOQXGJTB-UHFFFAOYSA-N 1 2 305.337 2.634 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000528076559 429844044 /nfs/dbraw/zinc/84/40/44/429844044.db2.gz ZPIMQRKHFKKYMI-UHFFFAOYSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000528076559 429844046 /nfs/dbraw/zinc/84/40/46/429844046.db2.gz ZPIMQRKHFKKYMI-UHFFFAOYSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCCCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368408507 429844984 /nfs/dbraw/zinc/84/49/84/429844984.db2.gz DBBCOQAKXLBLSU-HNNXBMFYSA-N 1 2 302.422 2.706 20 30 DFEDLO C[C@@H](C#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528512455 429895755 /nfs/dbraw/zinc/89/57/55/429895755.db2.gz LPNNMSKHLZQYDM-WFASDCNBSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528512455 429895756 /nfs/dbraw/zinc/89/57/56/429895756.db2.gz LPNNMSKHLZQYDM-WFASDCNBSA-N 1 2 305.809 2.580 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000369018935 429907501 /nfs/dbraw/zinc/90/75/01/429907501.db2.gz NGRMDNMQMGEKCV-LBPRGKRZSA-N 1 2 317.252 2.951 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000369018935 429907503 /nfs/dbraw/zinc/90/75/03/429907503.db2.gz NGRMDNMQMGEKCV-LBPRGKRZSA-N 1 2 317.252 2.951 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000369148477 429916097 /nfs/dbraw/zinc/91/60/97/429916097.db2.gz UGFOJBPUKDUDOI-UHFFFAOYSA-N 1 2 306.369 2.530 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000369148477 429916099 /nfs/dbraw/zinc/91/60/99/429916099.db2.gz UGFOJBPUKDUDOI-UHFFFAOYSA-N 1 2 306.369 2.530 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000573135957 429929215 /nfs/dbraw/zinc/92/92/15/429929215.db2.gz LFNSRCCMQDZBTL-SNVBAGLBSA-N 1 2 302.765 2.946 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000573135957 429929218 /nfs/dbraw/zinc/92/92/18/429929218.db2.gz LFNSRCCMQDZBTL-SNVBAGLBSA-N 1 2 302.765 2.946 20 30 DFEDLO C=CCC1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC000628825722 429958656 /nfs/dbraw/zinc/95/86/56/429958656.db2.gz QHGOFOFMYDJTLC-UHFFFAOYSA-N 1 2 316.449 3.183 20 30 DFEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(OCc2cccnc2)c1 ZINC000573551577 429959582 /nfs/dbraw/zinc/95/95/82/429959582.db2.gz ZASPOWVPTGYYKS-AWEZNQCLSA-N 1 2 311.385 2.918 20 30 DFEDLO C=CCCc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629738237 429963004 /nfs/dbraw/zinc/96/30/04/429963004.db2.gz JYVHCVPKBOIPPF-UHFFFAOYSA-N 1 2 312.413 3.288 20 30 DFEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000574410787 430041051 /nfs/dbraw/zinc/04/10/51/430041051.db2.gz VMHHLLTZEHIHPX-CYBMUJFWSA-N 1 2 303.406 2.895 20 30 DFEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000574410787 430041054 /nfs/dbraw/zinc/04/10/54/430041054.db2.gz VMHHLLTZEHIHPX-CYBMUJFWSA-N 1 2 303.406 2.895 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000574055891 430007821 /nfs/dbraw/zinc/00/78/21/430007821.db2.gz HYEAAXYERQYDNF-GOSISDBHSA-N 1 2 324.428 2.548 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000574055891 430007826 /nfs/dbraw/zinc/00/78/26/430007826.db2.gz HYEAAXYERQYDNF-GOSISDBHSA-N 1 2 324.428 2.548 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000637621904 430092732 /nfs/dbraw/zinc/09/27/32/430092732.db2.gz SOOVFTBLMZADKB-AWEZNQCLSA-N 1 2 304.438 2.737 20 30 DFEDLO CCN1CCN(c2c(Cl)cccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375357 430114843 /nfs/dbraw/zinc/11/48/43/430114843.db2.gz OHAROYIEILHSGC-CQSZACIVSA-N 1 2 315.808 2.818 20 30 DFEDLO N#CCc1cccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000562625814 430156242 /nfs/dbraw/zinc/15/62/42/430156242.db2.gz CSOFUIRDPFXEMZ-AWEZNQCLSA-N 1 2 309.373 2.648 20 30 DFEDLO N#CC1(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC000534309137 430159764 /nfs/dbraw/zinc/15/97/64/430159764.db2.gz MWOHEPVFYNOZDI-HNNXBMFYSA-N 1 2 323.396 2.931 20 30 DFEDLO N#CC1(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC000534309137 430159770 /nfs/dbraw/zinc/15/97/70/430159770.db2.gz MWOHEPVFYNOZDI-HNNXBMFYSA-N 1 2 323.396 2.931 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577960837 430119095 /nfs/dbraw/zinc/11/90/95/430119095.db2.gz AMRUBICEOUWASE-GXTWGEPZSA-N 1 2 311.389 2.686 20 30 DFEDLO CCN(CC)c1ccc(CNc2ncc3c(c2C#N)CCC3)c[nH+]1 ZINC000578620559 430121817 /nfs/dbraw/zinc/12/18/17/430121817.db2.gz KQIIKIFKTJYSIG-UHFFFAOYSA-N 1 2 321.428 3.295 20 30 DFEDLO C[C@H](C#N)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000531543300 430144926 /nfs/dbraw/zinc/14/49/26/430144926.db2.gz MOXHBYMXVZWEJB-VXGBXAGGSA-N 1 2 321.450 2.656 20 30 DFEDLO C[C@H](C#N)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000531543300 430144929 /nfs/dbraw/zinc/14/49/29/430144929.db2.gz MOXHBYMXVZWEJB-VXGBXAGGSA-N 1 2 321.450 2.656 20 30 DFEDLO N#Cc1cccc(CCNc2nc(C3CC3)[nH+]c3c2CCC3)c1 ZINC000564003462 430193228 /nfs/dbraw/zinc/19/32/28/430193228.db2.gz NCUUZKILEXSDEE-UHFFFAOYSA-N 1 2 304.397 3.369 20 30 DFEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(F)cc1C#N ZINC000541984882 430199093 /nfs/dbraw/zinc/19/90/93/430199093.db2.gz ZHKNGYQTFVTORM-MRXNPFEDSA-N 1 2 300.333 2.529 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000566428477 430260453 /nfs/dbraw/zinc/26/04/53/430260453.db2.gz GHFXKVRJDSUGTA-CMPLNLGQSA-N 1 2 309.797 2.957 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@H](C#N)CCC#N)c1cccc(F)c1 ZINC000567935058 430294967 /nfs/dbraw/zinc/29/49/67/430294967.db2.gz ZPXHDVYFTFJIFT-BBRMVZONSA-N 1 2 311.364 2.682 20 30 DFEDLO Cc1ccc2c(c1)scc2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995939 430303598 /nfs/dbraw/zinc/30/35/98/430303598.db2.gz ZKHYQJVCFIBBAV-INIZCTEOSA-N 1 2 301.415 2.783 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCc2ccc3ccccc3c2)nn1 ZINC000641045468 430312243 /nfs/dbraw/zinc/31/22/43/430312243.db2.gz LYAIWFBXFBKJHU-UHFFFAOYSA-N 1 2 304.397 2.787 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000641131122 430337811 /nfs/dbraw/zinc/33/78/11/430337811.db2.gz CCDNCLKJSBDEPG-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000568833021 430395262 /nfs/dbraw/zinc/39/52/62/430395262.db2.gz OFNYSNODYWDODA-KFWWJZLASA-N 1 2 302.422 2.858 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000568833021 430395267 /nfs/dbraw/zinc/39/52/67/430395267.db2.gz OFNYSNODYWDODA-KFWWJZLASA-N 1 2 302.422 2.858 20 30 DFEDLO C=C(C)[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000569221835 430434053 /nfs/dbraw/zinc/43/40/53/430434053.db2.gz DKCYOHNSACNCTA-INIZCTEOSA-N 1 2 305.328 2.674 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Br)cn1 ZINC000583863625 430434831 /nfs/dbraw/zinc/43/48/31/430434831.db2.gz VOXAYLNBPFIZOP-JTQLQIEISA-N 1 2 317.190 2.962 20 30 DFEDLO CC(C)c1ccccc1OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569248301 430437507 /nfs/dbraw/zinc/43/75/07/430437507.db2.gz KKFFASPHJMOLSK-SFHVURJKSA-N 1 2 317.433 2.539 20 30 DFEDLO N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000584003587 430449351 /nfs/dbraw/zinc/44/93/51/430449351.db2.gz JWVRIQIPWHFKRG-GFCCVEGCSA-N 1 2 314.776 2.804 20 30 DFEDLO Cc1nc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)no1 ZINC000585116507 430478998 /nfs/dbraw/zinc/47/89/98/430478998.db2.gz ZCIQQHACTTUQJJ-GFCCVEGCSA-N 1 2 311.389 2.887 20 30 DFEDLO N#Cc1ccc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nn1 ZINC000591974041 430492188 /nfs/dbraw/zinc/49/21/88/430492188.db2.gz YOKMUXHRGJBKAG-CHWSQXEVSA-N 1 2 318.384 3.363 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618226 430503577 /nfs/dbraw/zinc/50/35/77/430503577.db2.gz ZHLUQOQZYZLAAM-HUUCEWRRSA-N 1 2 318.421 3.106 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618226 430503581 /nfs/dbraw/zinc/50/35/81/430503581.db2.gz ZHLUQOQZYZLAAM-HUUCEWRRSA-N 1 2 318.421 3.106 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639101320 430524788 /nfs/dbraw/zinc/52/47/88/430524788.db2.gz XUVGCGDVQBXURL-UHFFFAOYSA-N 1 2 317.355 2.873 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639101320 430524791 /nfs/dbraw/zinc/52/47/91/430524791.db2.gz XUVGCGDVQBXURL-UHFFFAOYSA-N 1 2 317.355 2.873 20 30 DFEDLO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)nc2ccccc12 ZINC000599133734 430527396 /nfs/dbraw/zinc/52/73/96/430527396.db2.gz LNZJLJHTEVKGJK-ZDUSSCGKSA-N 1 2 316.355 3.248 20 30 DFEDLO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)nc2ccccc12 ZINC000599133734 430527399 /nfs/dbraw/zinc/52/73/99/430527399.db2.gz LNZJLJHTEVKGJK-ZDUSSCGKSA-N 1 2 316.355 3.248 20 30 DFEDLO COc1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)c(C#N)c1 ZINC000600788943 430533605 /nfs/dbraw/zinc/53/36/05/430533605.db2.gz CRNFLNHKIOEJST-UHFFFAOYSA-N 1 2 323.396 3.467 20 30 DFEDLO N#Cc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)nc(C2CC2)n1 ZINC000601101870 430536692 /nfs/dbraw/zinc/53/66/92/430536692.db2.gz WLJIAVMBEYMWGF-UHFFFAOYSA-N 1 2 324.775 3.139 20 30 DFEDLO Cc1csc(NC(=O)NCCNc2cccc[nH+]2)c1C#N ZINC000570354232 430536704 /nfs/dbraw/zinc/53/67/04/430536704.db2.gz ZQTNDVBZWKWXND-UHFFFAOYSA-N 1 2 301.375 2.557 20 30 DFEDLO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000552227492 430591897 /nfs/dbraw/zinc/59/18/97/430591897.db2.gz HETRCYYETNDWIH-CYBMUJFWSA-N 1 2 312.373 2.708 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981407 430593741 /nfs/dbraw/zinc/59/37/41/430593741.db2.gz MDKAPXDQUSTAGE-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981407 430593743 /nfs/dbraw/zinc/59/37/43/430593743.db2.gz MDKAPXDQUSTAGE-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO COC(=O)c1ccc(Sc2[nH+]cc3ccccn32)c(C#N)n1 ZINC000554800175 430652999 /nfs/dbraw/zinc/65/29/99/430652999.db2.gz FRBCCKDBWRNAQB-UHFFFAOYSA-N 1 2 310.338 2.539 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000553271055 430613324 /nfs/dbraw/zinc/61/33/24/430613324.db2.gz BNFFLKAMOWXVSF-INIZCTEOSA-N 1 2 320.396 2.856 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)s1 ZINC000571513284 430633028 /nfs/dbraw/zinc/63/30/28/430633028.db2.gz HCUGCJRBLHSZQG-MRXNPFEDSA-N 1 2 317.458 2.891 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)s1 ZINC000571513284 430633030 /nfs/dbraw/zinc/63/30/30/430633030.db2.gz HCUGCJRBLHSZQG-MRXNPFEDSA-N 1 2 317.458 2.891 20 30 DFEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1c(F)cccc1F ZINC000555532288 430669144 /nfs/dbraw/zinc/66/91/44/430669144.db2.gz NCYDIYWOSGPSBT-SNVBAGLBSA-N 1 2 313.311 2.730 20 30 DFEDLO CCc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000555687178 430672430 /nfs/dbraw/zinc/67/24/30/430672430.db2.gz KPILLCIIAOHXOE-CYBMUJFWSA-N 1 2 314.414 2.625 20 30 DFEDLO CCc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000555687178 430672432 /nfs/dbraw/zinc/67/24/32/430672432.db2.gz KPILLCIIAOHXOE-CYBMUJFWSA-N 1 2 314.414 2.625 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000644626896 430774595 /nfs/dbraw/zinc/77/45/95/430774595.db2.gz ZDKWVSKOBDKHKB-UHFFFAOYSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000644626896 430774598 /nfs/dbraw/zinc/77/45/98/430774598.db2.gz ZDKWVSKOBDKHKB-UHFFFAOYSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000644626896 430774602 /nfs/dbraw/zinc/77/46/02/430774602.db2.gz ZDKWVSKOBDKHKB-UHFFFAOYSA-N 1 2 318.465 2.540 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658137740 430824378 /nfs/dbraw/zinc/82/43/78/430824378.db2.gz LKXNYZSXJHDYBG-GDBMZVCRSA-N 1 2 315.417 2.888 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000665388467 430919040 /nfs/dbraw/zinc/91/90/40/430919040.db2.gz OTBQILOEWKKWCC-ARFHVFGLSA-N 1 2 316.449 2.880 20 30 DFEDLO CC#CC[C@@H](CO)Nc1[nH+]ccc2cc(Br)ccc21 ZINC000645407007 430992560 /nfs/dbraw/zinc/99/25/60/430992560.db2.gz HANKSKHIQURFPN-ZDUSSCGKSA-N 1 2 319.202 3.184 20 30 DFEDLO CC#CC[C@H](CO)Nc1[nH+]ccc2cc(Br)ccc21 ZINC000645407006 430992578 /nfs/dbraw/zinc/99/25/78/430992578.db2.gz HANKSKHIQURFPN-CYBMUJFWSA-N 1 2 319.202 3.184 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645435051 431001964 /nfs/dbraw/zinc/00/19/64/431001964.db2.gz WGHMICVUBITMAB-UHFFFAOYSA-N 1 2 300.406 2.697 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665866418 431054349 /nfs/dbraw/zinc/05/43/49/431054349.db2.gz NSMFLEYJFBGXIC-GFCCVEGCSA-N 1 2 301.415 2.791 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665866418 431054353 /nfs/dbraw/zinc/05/43/53/431054353.db2.gz NSMFLEYJFBGXIC-GFCCVEGCSA-N 1 2 301.415 2.791 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665866419 431055534 /nfs/dbraw/zinc/05/55/34/431055534.db2.gz NSMFLEYJFBGXIC-LBPRGKRZSA-N 1 2 301.415 2.791 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665866419 431055538 /nfs/dbraw/zinc/05/55/38/431055538.db2.gz NSMFLEYJFBGXIC-LBPRGKRZSA-N 1 2 301.415 2.791 20 30 DFEDLO C=CCC1(NC(=O)Nc2ccc3[nH+]ccn3c2)CCOCC1 ZINC000666132131 431122413 /nfs/dbraw/zinc/12/24/13/431122413.db2.gz QQUOWRWXIDCUGA-UHFFFAOYSA-N 1 2 300.362 2.581 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000645818200 431082530 /nfs/dbraw/zinc/08/25/30/431082530.db2.gz VEIJTYDGSNEJHH-UHFFFAOYSA-N 1 2 321.380 2.754 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655819701 431169005 /nfs/dbraw/zinc/16/90/05/431169005.db2.gz NMTIGKLMBMDFFA-OAHLLOKOSA-N 1 2 314.389 2.511 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666455618 431237406 /nfs/dbraw/zinc/23/74/06/431237406.db2.gz UNQCNRUVKQPVFI-GOSISDBHSA-N 1 2 311.385 2.762 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000656439591 431382077 /nfs/dbraw/zinc/38/20/77/431382077.db2.gz XGERNBBAKDAOFX-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO C=CCCC1(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000660345293 431392243 /nfs/dbraw/zinc/39/22/43/431392243.db2.gz NLSCVWSBGAEZRX-MRXNPFEDSA-N 1 2 323.481 2.533 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCCOc2ccccc2)nn1 ZINC000653483889 431398278 /nfs/dbraw/zinc/39/82/78/431398278.db2.gz GFEJXLXDVFKMSF-UHFFFAOYSA-N 1 2 300.406 2.755 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCCOc2ccccc2)nn1 ZINC000653483889 431398288 /nfs/dbraw/zinc/39/82/88/431398288.db2.gz GFEJXLXDVFKMSF-UHFFFAOYSA-N 1 2 300.406 2.755 20 30 DFEDLO C=CCCn1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)nn1 ZINC000653593076 431452096 /nfs/dbraw/zinc/45/20/96/431452096.db2.gz FEPPXGOLCQAKJJ-UHFFFAOYSA-N 1 2 300.381 2.668 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)nn1 ZINC000653618395 431461997 /nfs/dbraw/zinc/46/19/97/431461997.db2.gz FBRJCSSLLBZARM-CYBMUJFWSA-N 1 2 316.453 2.965 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000650170653 431472494 /nfs/dbraw/zinc/47/24/94/431472494.db2.gz SZQGCWSAXJKYTP-FMKPAKJESA-N 1 2 303.406 2.548 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)nn1 ZINC000653722307 431500077 /nfs/dbraw/zinc/50/00/77/431500077.db2.gz YGZFNBCUQBWGML-MRXNPFEDSA-N 1 2 320.824 2.673 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)nn1 ZINC000653722307 431500083 /nfs/dbraw/zinc/50/00/83/431500083.db2.gz YGZFNBCUQBWGML-MRXNPFEDSA-N 1 2 320.824 2.673 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1[nH+]ccn1CC(C)C ZINC000660734119 431567590 /nfs/dbraw/zinc/56/75/90/431567590.db2.gz IHDZVINYOIKOIU-GASCZTMLSA-N 1 2 302.422 2.932 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150089 431754380 /nfs/dbraw/zinc/75/43/80/431754380.db2.gz HYUWVMXEIAECPQ-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150089 431754388 /nfs/dbraw/zinc/75/43/88/431754388.db2.gz HYUWVMXEIAECPQ-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661156126 431755200 /nfs/dbraw/zinc/75/52/00/431755200.db2.gz VQVPCCCLSHZNAH-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000661156126 431755203 /nfs/dbraw/zinc/75/52/03/431755203.db2.gz VQVPCCCLSHZNAH-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2oc3ccccc3c2OC)nn1 ZINC000657447123 431756225 /nfs/dbraw/zinc/75/62/25/431756225.db2.gz WGFHCNLXVRCRFG-UHFFFAOYSA-N 1 2 312.373 2.899 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@@H](C)COC ZINC000661240879 431790116 /nfs/dbraw/zinc/79/01/16/431790116.db2.gz SODZEAUTOBRFSJ-AWEZNQCLSA-N 1 2 311.447 2.503 20 30 DFEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@@H](C)COC ZINC000661240879 431790124 /nfs/dbraw/zinc/79/01/24/431790124.db2.gz SODZEAUTOBRFSJ-AWEZNQCLSA-N 1 2 311.447 2.503 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H](C)COC ZINC000661239211 431790670 /nfs/dbraw/zinc/79/06/70/431790670.db2.gz DAWAYHLYRINHCQ-ZDUSSCGKSA-N 1 2 319.380 2.822 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H](C)COC ZINC000661239211 431790677 /nfs/dbraw/zinc/79/06/77/431790677.db2.gz DAWAYHLYRINHCQ-ZDUSSCGKSA-N 1 2 319.380 2.822 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@H](C)COC ZINC000661242241 431792431 /nfs/dbraw/zinc/79/24/31/431792431.db2.gz LSODMBAYWFZCSX-CQSZACIVSA-N 1 2 300.406 2.505 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@H](C)COC ZINC000661242241 431792436 /nfs/dbraw/zinc/79/24/36/431792436.db2.gz LSODMBAYWFZCSX-CQSZACIVSA-N 1 2 300.406 2.505 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H](C)COC ZINC000661242240 431792826 /nfs/dbraw/zinc/79/28/26/431792826.db2.gz LSODMBAYWFZCSX-AWEZNQCLSA-N 1 2 300.406 2.505 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H](C)COC ZINC000661242240 431792833 /nfs/dbraw/zinc/79/28/33/431792833.db2.gz LSODMBAYWFZCSX-AWEZNQCLSA-N 1 2 300.406 2.505 20 30 DFEDLO C=CCOCCNc1cc(N[C@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000664560177 431817778 /nfs/dbraw/zinc/81/77/78/431817778.db2.gz GFZHPJSKTKAGCU-WMLDXEAASA-N 1 2 320.437 2.707 20 30 DFEDLO C=CCOCCNc1cc(N[C@H]2CCCO[C@@H]2C(C)C)[nH+]cn1 ZINC000664560177 431817783 /nfs/dbraw/zinc/81/77/83/431817783.db2.gz GFZHPJSKTKAGCU-WMLDXEAASA-N 1 2 320.437 2.707 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000364904448 294466449 /nfs/dbraw/zinc/46/64/49/294466449.db2.gz HXGIAEKIOMTPGO-UHFFFAOYSA-N 1 2 306.291 2.873 20 30 DFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4)CC3)n2c1 ZINC000157523024 295349600 /nfs/dbraw/zinc/34/96/00/295349600.db2.gz XFCCUNFOPWGKAU-UHFFFAOYSA-N 1 2 317.396 2.528 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000284514749 301078198 /nfs/dbraw/zinc/07/81/98/301078198.db2.gz JKVKPAUQXDQHOF-OAHLLOKOSA-N 1 2 308.389 2.600 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000535206400 301250807 /nfs/dbraw/zinc/25/08/07/301250807.db2.gz MKDINXJUPKBQNN-NWDGAFQWSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000535206400 301250810 /nfs/dbraw/zinc/25/08/10/301250810.db2.gz MKDINXJUPKBQNN-NWDGAFQWSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000535964103 301265459 /nfs/dbraw/zinc/26/54/59/301265459.db2.gz PXNLPHZGXBQLAT-UHFFFAOYSA-N 1 2 308.328 2.822 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@H]2CC(C)C)c1C#N ZINC000535963568 301265480 /nfs/dbraw/zinc/26/54/80/301265480.db2.gz KTLNZAALTSFVIM-OAHLLOKOSA-N 1 2 316.401 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@H]2CC(C)C)c1C#N ZINC000535963568 301265482 /nfs/dbraw/zinc/26/54/82/301265482.db2.gz KTLNZAALTSFVIM-OAHLLOKOSA-N 1 2 316.401 2.592 20 30 DFEDLO CC[N@H+](Cc1ccncc1)Cc1cccc(C(=O)OC)c1C#N ZINC000536606042 301282220 /nfs/dbraw/zinc/28/22/20/301282220.db2.gz UDFBMYTXXCYTPG-UHFFFAOYSA-N 1 2 309.369 2.762 20 30 DFEDLO CC[N@@H+](Cc1ccncc1)Cc1cccc(C(=O)OC)c1C#N ZINC000536606042 301282222 /nfs/dbraw/zinc/28/22/22/301282222.db2.gz UDFBMYTXXCYTPG-UHFFFAOYSA-N 1 2 309.369 2.762 20 30 DFEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000547978994 301555854 /nfs/dbraw/zinc/55/58/54/301555854.db2.gz XIARPRIPRCGKCF-UHFFFAOYSA-N 1 2 302.765 2.618 20 30 DFEDLO CC[C@@H]1C[NH+](Cc2cccc(C(=O)OC)c2C#N)C[C@@H](CC)O1 ZINC000562933677 302014491 /nfs/dbraw/zinc/01/44/91/302014491.db2.gz LKJAZSCAJAEZBS-HUUCEWRRSA-N 1 2 316.401 2.734 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000563204603 302049240 /nfs/dbraw/zinc/04/92/40/302049240.db2.gz UMAKOLDPLBOXMU-WMLDXEAASA-N 1 2 322.412 2.927 20 30 DFEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)nc1 ZINC000563616754 302087785 /nfs/dbraw/zinc/08/77/85/302087785.db2.gz GSKZRKIMAZNZQB-CYBMUJFWSA-N 1 2 312.398 2.647 20 30 DFEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)nc1 ZINC000563616754 302087786 /nfs/dbraw/zinc/08/77/86/302087786.db2.gz GSKZRKIMAZNZQB-CYBMUJFWSA-N 1 2 312.398 2.647 20 30 DFEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1c1ccncc1 ZINC000566243048 302269404 /nfs/dbraw/zinc/26/94/04/302269404.db2.gz RKWPYGYJOUZXHB-INIZCTEOSA-N 1 2 318.384 2.579 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1c1ccncc1 ZINC000566243048 302269406 /nfs/dbraw/zinc/26/94/06/302269406.db2.gz RKWPYGYJOUZXHB-INIZCTEOSA-N 1 2 318.384 2.579 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)nc1 ZINC000571616982 302625301 /nfs/dbraw/zinc/62/53/01/302625301.db2.gz TVBGTWYJEDTBAE-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2snc(Cl)c2C#N)CC1(C)C ZINC000295622776 303011299 /nfs/dbraw/zinc/01/12/99/303011299.db2.gz AFDPCLQESCAYCJ-SECBINFHSA-N 1 2 307.810 2.989 20 30 DFEDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000183093854 316130350 /nfs/dbraw/zinc/13/03/50/316130350.db2.gz IFNMGJXZQAVECU-JTSKRJEESA-N 1 2 316.401 2.907 20 30 DFEDLO Cc1cccn2cc(Cc3noc(-c4ccnc(C#N)c4)n3)[nH+]c12 ZINC000350029947 316373694 /nfs/dbraw/zinc/37/36/94/316373694.db2.gz AFXCPPBJSAMDRI-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)C1CCCCC1 ZINC000571006353 317973640 /nfs/dbraw/zinc/97/36/40/317973640.db2.gz RBMHMPCZAWSJKM-QGZVFWFLSA-N 1 2 316.401 2.649 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC(=O)CC12CCC2 ZINC000574701258 318034461 /nfs/dbraw/zinc/03/44/61/318034461.db2.gz WJWVYZLWHJMXEJ-UHFFFAOYSA-N 1 2 317.414 2.536 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC(=O)CC12CCC2 ZINC000574701258 318034463 /nfs/dbraw/zinc/03/44/63/318034463.db2.gz WJWVYZLWHJMXEJ-UHFFFAOYSA-N 1 2 317.414 2.536 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCC2)O1 ZINC000574986500 318055080 /nfs/dbraw/zinc/05/50/80/318055080.db2.gz NCQQHXMIQVUMSF-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCC2)O1 ZINC000574986500 318055081 /nfs/dbraw/zinc/05/50/81/318055081.db2.gz NCQQHXMIQVUMSF-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2nc3ccccc3n2C2CC2)n1 ZINC000575170993 318068034 /nfs/dbraw/zinc/06/80/34/318068034.db2.gz BPOFPPSWCGAQHS-UHFFFAOYSA-N 1 2 309.398 2.989 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000576647225 318140368 /nfs/dbraw/zinc/14/03/68/318140368.db2.gz OZMYIRFLYUTGTF-LBPRGKRZSA-N 1 2 312.373 2.886 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000576647225 318140372 /nfs/dbraw/zinc/14/03/72/318140372.db2.gz OZMYIRFLYUTGTF-LBPRGKRZSA-N 1 2 312.373 2.886 20 30 DFEDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cc(C#N)cs3)n2)c1 ZINC000578295673 318250559 /nfs/dbraw/zinc/25/05/59/318250559.db2.gz WIIOCVDCRWWIDG-NSHDSACASA-N 1 2 324.413 2.959 20 30 DFEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccnc1 ZINC000578359184 318255548 /nfs/dbraw/zinc/25/55/48/318255548.db2.gz SSASZJSEKVMZBY-MRXNPFEDSA-N 1 2 318.384 2.579 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccnc1 ZINC000578359184 318255551 /nfs/dbraw/zinc/25/55/51/318255551.db2.gz SSASZJSEKVMZBY-MRXNPFEDSA-N 1 2 318.384 2.579 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000580036467 318370470 /nfs/dbraw/zinc/37/04/70/318370470.db2.gz BSKZMGVBFMURDL-HNNXBMFYSA-N 1 2 321.471 2.777 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000580036467 318370472 /nfs/dbraw/zinc/37/04/72/318370472.db2.gz BSKZMGVBFMURDL-HNNXBMFYSA-N 1 2 321.471 2.777 20 30 DFEDLO Cc1csc(NC(=O)NCCCNc2cccc[nH+]2)c1C#N ZINC000582615501 323704895 /nfs/dbraw/zinc/70/48/95/323704895.db2.gz XQLUWLTXAPWDMT-UHFFFAOYSA-N 1 2 315.402 2.947 20 30 DFEDLO C=CC[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000116857795 331465785 /nfs/dbraw/zinc/46/57/85/331465785.db2.gz LMSRHBHUJPEDEP-CYBMUJFWSA-N 1 2 303.431 2.957 20 30 DFEDLO C=CCC[C@H](O)C[NH2+][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000370502759 331535532 /nfs/dbraw/zinc/53/55/32/331535532.db2.gz JVTUXDVAVKTIDL-JKSUJKDBSA-N 1 2 313.401 2.953 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000530527651 331567899 /nfs/dbraw/zinc/56/78/99/331567899.db2.gz OWAOMDLGEWKOGF-UHFFFAOYSA-N 1 2 324.775 2.994 20 30 DFEDLO C=CCC(F)(F)C(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000297713793 331605438 /nfs/dbraw/zinc/60/54/38/331605438.db2.gz MWGSZPQZTVEWDL-UHFFFAOYSA-N 1 2 321.331 2.737 20 30 DFEDLO N#CCCN(CCC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255441782 331743067 /nfs/dbraw/zinc/74/30/67/331743067.db2.gz DCPRJZDGUYALFX-YVMONPNESA-N 1 2 319.368 2.541 20 30 DFEDLO C=CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000363440162 331910958 /nfs/dbraw/zinc/91/09/58/331910958.db2.gz TVFRMOAFGCQCIZ-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)c(C)s2)cc1OC ZINC000088511594 332053429 /nfs/dbraw/zinc/05/34/29/332053429.db2.gz DNZBSCIFFRFPFN-UHFFFAOYSA-N 1 2 321.402 2.614 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCSCc1ccccc1 ZINC000090191551 332083717 /nfs/dbraw/zinc/08/37/17/332083717.db2.gz SGTDGWJLMJMNTB-UHFFFAOYSA-N 1 2 323.462 2.513 20 30 DFEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093773221 332142418 /nfs/dbraw/zinc/14/24/18/332142418.db2.gz QVUSQWHUUNNHSY-HNNXBMFYSA-N 1 2 317.433 2.808 20 30 DFEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093773221 332142420 /nfs/dbraw/zinc/14/24/20/332142420.db2.gz QVUSQWHUUNNHSY-HNNXBMFYSA-N 1 2 317.433 2.808 20 30 DFEDLO CCCC(C#N)(CCC)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410557320 332151252 /nfs/dbraw/zinc/15/12/52/332151252.db2.gz LAHAIHJXAAUXQH-UHFFFAOYSA-N 1 2 315.408 2.942 20 30 DFEDLO Oc1ccc(/C=[NH+]/C2CCN(c3ccccc3)CC2)c(O)c1O ZINC000098161445 332206756 /nfs/dbraw/zinc/20/67/56/332206756.db2.gz AHLAPNPMFYCJHN-XDHOZWIPSA-N 1 2 312.369 2.891 20 30 DFEDLO N#CCCN(CCC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000103207111 332235487 /nfs/dbraw/zinc/23/54/87/332235487.db2.gz DCPRJZDGUYALFX-VMPITWQZSA-N 1 2 319.368 2.541 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000106878170 332262006 /nfs/dbraw/zinc/26/20/06/332262006.db2.gz JAVHYLYTIKFMTQ-LRDDRELGSA-N 1 2 322.478 2.807 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000106878170 332262008 /nfs/dbraw/zinc/26/20/08/332262008.db2.gz JAVHYLYTIKFMTQ-LRDDRELGSA-N 1 2 322.478 2.807 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000292918481 335097810 /nfs/dbraw/zinc/09/78/10/335097810.db2.gz XQMNCCZXIWATIV-UHFFFAOYSA-N 1 2 305.422 2.709 20 30 DFEDLO Cn1c[nH+]c2c1CCN(C(=O)N[C@H](CCC#N)c1ccccc1)C2 ZINC000370879607 332276193 /nfs/dbraw/zinc/27/61/93/332276193.db2.gz VSHUJZJZFIHSIZ-OAHLLOKOSA-N 1 2 323.400 2.533 20 30 DFEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2cccc(Cl)c2)no1 ZINC000109061552 332276530 /nfs/dbraw/zinc/27/65/30/332276530.db2.gz YIMBRYOWNZUMGI-UHFFFAOYSA-N 1 2 308.769 2.858 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000109812660 332284065 /nfs/dbraw/zinc/28/40/65/332284065.db2.gz NBXUREXNQOHCOC-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000109812660 332284066 /nfs/dbraw/zinc/28/40/66/332284066.db2.gz NBXUREXNQOHCOC-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO COc1cc(F)c([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OC ZINC000114500754 332327834 /nfs/dbraw/zinc/32/78/34/332327834.db2.gz ZGWRYMZLRRGETG-NWDGAFQWSA-N 1 2 305.353 2.937 20 30 DFEDLO N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000583390520 332381649 /nfs/dbraw/zinc/38/16/49/332381649.db2.gz SVVPVDUJKATRJJ-GFCCVEGCSA-N 1 2 314.776 2.804 20 30 DFEDLO C[C@@H](O[NH+]=C(N)CCO)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000121382008 332395447 /nfs/dbraw/zinc/39/54/47/332395447.db2.gz QWXNPUNIGQPQEM-SECBINFHSA-N 1 2 309.753 2.727 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293331745 335104332 /nfs/dbraw/zinc/10/43/32/335104332.db2.gz YBRHXBRPUKRBNK-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000293331745 335104333 /nfs/dbraw/zinc/10/43/33/335104333.db2.gz YBRHXBRPUKRBNK-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO COc1ccc(C(N)=[NH+]OC/C(Cl)=C/Cl)cc1OC ZINC000124029329 332430961 /nfs/dbraw/zinc/43/09/61/332430961.db2.gz BKRLVBWJIAHUOC-TWGQIWQCSA-N 1 2 305.161 2.660 20 30 DFEDLO N#CCc1cccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000562625815 332611497 /nfs/dbraw/zinc/61/14/97/332611497.db2.gz CSOFUIRDPFXEMZ-CQSZACIVSA-N 1 2 309.373 2.648 20 30 DFEDLO N#C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000580267111 333045793 /nfs/dbraw/zinc/04/57/93/333045793.db2.gz NOHOQKAQACSJEI-NSHDSACASA-N 1 2 309.156 2.571 20 30 DFEDLO N#CCOc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000171543883 333050409 /nfs/dbraw/zinc/05/04/09/333050409.db2.gz JQGAAWFFFCPQJA-UHFFFAOYSA-N 1 2 323.400 2.981 20 30 DFEDLO N#CCOc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000171543883 333050411 /nfs/dbraw/zinc/05/04/11/333050411.db2.gz JQGAAWFFFCPQJA-UHFFFAOYSA-N 1 2 323.400 2.981 20 30 DFEDLO N#CCCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171592301 333051388 /nfs/dbraw/zinc/05/13/88/333051388.db2.gz PVDVYEHMNDNSFA-INIZCTEOSA-N 1 2 317.458 2.587 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(Cl)ccc1Cl ZINC000174152012 333082707 /nfs/dbraw/zinc/08/27/07/333082707.db2.gz RGRWDPOGGHSRHR-UHFFFAOYSA-N 1 2 318.204 2.697 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174214748 333083294 /nfs/dbraw/zinc/08/32/94/333083294.db2.gz CBGUKVNVDDMIML-CQSZACIVSA-N 1 2 323.400 2.878 20 30 DFEDLO C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174214737 333083305 /nfs/dbraw/zinc/08/33/05/333083305.db2.gz CBGUKVNVDDMIML-AWEZNQCLSA-N 1 2 323.400 2.878 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)c2cccc(OC)c2)cs1 ZINC000174212783 333083317 /nfs/dbraw/zinc/08/33/17/333083317.db2.gz VSIFHTMQPSNEAX-UHFFFAOYSA-N 1 2 305.403 2.941 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cn2cc(Cl)ccc2n1 ZINC000174221995 333083486 /nfs/dbraw/zinc/08/34/86/333083486.db2.gz XHKZZGLRYAHMCC-LLVKDONJSA-N 1 2 324.812 2.838 20 30 DFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)C#N ZINC000174902954 333092394 /nfs/dbraw/zinc/09/23/94/333092394.db2.gz LCBNJSCQSVWSGU-UHFFFAOYSA-N 1 2 314.433 2.696 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000294260470 335122119 /nfs/dbraw/zinc/12/21/19/335122119.db2.gz AEKCUQJHRRICNE-AWEZNQCLSA-N 1 2 323.396 2.863 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000177526089 333129706 /nfs/dbraw/zinc/12/97/06/333129706.db2.gz SDJQZSQMQJCCSN-RHSMWYFYSA-N 1 2 308.385 2.672 20 30 DFEDLO CCC(C)(C)NC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178133021 333135363 /nfs/dbraw/zinc/13/53/63/333135363.db2.gz WFFRJYLFLFVXJJ-SNVBAGLBSA-N 1 2 311.813 2.670 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCSCC1 ZINC000179155351 333146989 /nfs/dbraw/zinc/14/69/89/333146989.db2.gz KNBJWKZJTYYTPS-ZDUSSCGKSA-N 1 2 317.458 2.864 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179237142 333148382 /nfs/dbraw/zinc/14/83/82/333148382.db2.gz ZASMGSBJUCALAM-HOTGVXAUSA-N 1 2 303.381 2.599 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000179237142 333148383 /nfs/dbraw/zinc/14/83/83/333148383.db2.gz ZASMGSBJUCALAM-HOTGVXAUSA-N 1 2 303.381 2.599 20 30 DFEDLO CC/C=C/CCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000184428544 333196910 /nfs/dbraw/zinc/19/69/10/333196910.db2.gz IPFYBNODINAWMS-AATRIKPKSA-N 1 2 313.405 2.877 20 30 DFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC2CCC2)cc1 ZINC000497272092 333229874 /nfs/dbraw/zinc/22/98/74/333229874.db2.gz NNCXQYHIPSQSME-UHFFFAOYSA-N 1 2 319.405 2.901 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000191888097 333283373 /nfs/dbraw/zinc/28/33/73/333283373.db2.gz YJSIWOOLPPRZPH-KRWDZBQOSA-N 1 2 317.433 2.714 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000193299658 333301386 /nfs/dbraw/zinc/30/13/86/333301386.db2.gz CGKVHHWTWIIASZ-ZIAGYGMSSA-N 1 2 311.389 2.556 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000193299658 333301387 /nfs/dbraw/zinc/30/13/87/333301387.db2.gz CGKVHHWTWIIASZ-ZIAGYGMSSA-N 1 2 311.389 2.556 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000185438561 335133378 /nfs/dbraw/zinc/13/33/78/335133378.db2.gz JEDRMPJLHXFLIP-CQSZACIVSA-N 1 2 307.463 2.780 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000185438561 335133379 /nfs/dbraw/zinc/13/33/79/335133379.db2.gz JEDRMPJLHXFLIP-CQSZACIVSA-N 1 2 307.463 2.780 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309829 333322381 /nfs/dbraw/zinc/32/23/81/333322381.db2.gz CCVXALFVIUMVOP-LBPRGKRZSA-N 1 2 321.371 2.720 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372190722 333331943 /nfs/dbraw/zinc/33/19/43/333331943.db2.gz CYMCHUXAMAFHSG-UHFFFAOYSA-N 1 2 316.420 2.758 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372190722 333331945 /nfs/dbraw/zinc/33/19/45/333331945.db2.gz CYMCHUXAMAFHSG-UHFFFAOYSA-N 1 2 316.420 2.758 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000295266101 335134197 /nfs/dbraw/zinc/13/41/97/335134197.db2.gz LGDVRFLZOSUPQI-UONOGXRCSA-N 1 2 322.474 2.838 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000295266101 335134198 /nfs/dbraw/zinc/13/41/98/335134198.db2.gz LGDVRFLZOSUPQI-UONOGXRCSA-N 1 2 322.474 2.838 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)CCCCC1 ZINC000531440519 333353602 /nfs/dbraw/zinc/35/36/02/333353602.db2.gz UNVROVYJCVMMRK-INIZCTEOSA-N 1 2 312.417 2.561 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)CCCCC1 ZINC000531440519 333353603 /nfs/dbraw/zinc/35/36/03/333353603.db2.gz UNVROVYJCVMMRK-INIZCTEOSA-N 1 2 312.417 2.561 20 30 DFEDLO C#CC[N@@H+](Cc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000295570737 335136081 /nfs/dbraw/zinc/13/60/81/335136081.db2.gz ZVQVEQQEHCDFLZ-UHFFFAOYSA-N 1 2 304.821 2.774 20 30 DFEDLO C#CC[N@H+](Cc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000295570737 335136082 /nfs/dbraw/zinc/13/60/82/335136082.db2.gz ZVQVEQQEHCDFLZ-UHFFFAOYSA-N 1 2 304.821 2.774 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000365521897 333409223 /nfs/dbraw/zinc/40/92/23/333409223.db2.gz LNGJWFJAYODGHG-AWEZNQCLSA-N 1 2 300.406 2.600 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000185573346 335141498 /nfs/dbraw/zinc/14/14/98/335141498.db2.gz QDLHBSMSAZLUMK-CVEARBPZSA-N 1 2 301.434 2.889 20 30 DFEDLO CC#CCN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000296647107 335145375 /nfs/dbraw/zinc/14/53/75/335145375.db2.gz SNJCCVMPTUEZOD-UHFFFAOYSA-N 1 2 306.435 2.616 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)OCC ZINC000339492809 333526595 /nfs/dbraw/zinc/52/65/95/333526595.db2.gz FMBPQKSGTGRGQE-LSDHHAIUSA-N 1 2 305.422 2.556 20 30 DFEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000185882795 335154780 /nfs/dbraw/zinc/15/47/80/335154780.db2.gz WGEPFLVMZRBQJY-UHFFFAOYSA-N 1 2 302.393 2.664 20 30 DFEDLO Cc1cccc(-c2cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000571407560 333785827 /nfs/dbraw/zinc/78/58/27/333785827.db2.gz BOONISVATBXXPG-LJQANCHMSA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)C2(C#N)CCC2)c1)[NH+]1CCOCC1 ZINC000265532081 333966446 /nfs/dbraw/zinc/96/64/46/333966446.db2.gz PKSVHOROFAXFHW-AWEZNQCLSA-N 1 2 313.401 2.712 20 30 DFEDLO CCOc1cccc(CC/[NH+]=C/c2c(O)c(C)ncc2CO)c1 ZINC000269360537 334000870 /nfs/dbraw/zinc/00/08/70/334000870.db2.gz PESHHEZCXOIPNB-YBFXNURJSA-N 1 2 314.385 2.648 20 30 DFEDLO Cc1ccncc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000269654805 334002880 /nfs/dbraw/zinc/00/28/80/334002880.db2.gz RJVHSVTZRBQGCB-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270370818 334012493 /nfs/dbraw/zinc/01/24/93/334012493.db2.gz HOWPHSAIKRWJSL-PBHICJAKSA-N 1 2 308.385 2.672 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000270370827 334012519 /nfs/dbraw/zinc/01/25/19/334012519.db2.gz HOWPHSAIKRWJSL-WMLDXEAASA-N 1 2 308.385 2.672 20 30 DFEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(C3CC3)o2)cc1 ZINC000270470298 334013578 /nfs/dbraw/zinc/01/35/78/334013578.db2.gz VCOFLONNCAJCJN-UHFFFAOYSA-N 1 2 301.346 2.592 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271787885 334027078 /nfs/dbraw/zinc/02/70/78/334027078.db2.gz QFGLLOGQUTYUMC-NWDGAFQWSA-N 1 2 309.360 2.624 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000271937187 334029046 /nfs/dbraw/zinc/02/90/46/334029046.db2.gz PORSTZRFLCYENN-OAHLLOKOSA-N 1 2 320.396 2.985 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000272046671 334030295 /nfs/dbraw/zinc/03/02/95/334030295.db2.gz SHUFWQUNYVCLLT-UHFFFAOYSA-N 1 2 303.381 2.523 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272517292 334036447 /nfs/dbraw/zinc/03/64/47/334036447.db2.gz GWSSNPLJIOJJFA-INIZCTEOSA-N 1 2 324.428 2.947 20 30 DFEDLO N#CCC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1 ZINC000277316393 334087743 /nfs/dbraw/zinc/08/77/43/334087743.db2.gz CVPZVQFCFUGSOG-INIZCTEOSA-N 1 2 323.400 2.770 20 30 DFEDLO N#CCC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1 ZINC000277316393 334087744 /nfs/dbraw/zinc/08/77/44/334087744.db2.gz CVPZVQFCFUGSOG-INIZCTEOSA-N 1 2 323.400 2.770 20 30 DFEDLO CCn1nccc1[C@@H]1OCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000277914438 334091876 /nfs/dbraw/zinc/09/18/76/334091876.db2.gz DPCVZVHEEGORMH-AAAKISGTSA-N 1 2 315.373 2.511 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(CSCC#N)n1 ZINC000277932850 334092160 /nfs/dbraw/zinc/09/21/60/334092160.db2.gz NOLCFLIDGTWHBH-UHFFFAOYSA-N 1 2 313.386 2.787 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(Cl)c1Cl ZINC000278270127 334094186 /nfs/dbraw/zinc/09/41/86/334094186.db2.gz RNRUILRQLYURJF-UHFFFAOYSA-N 1 2 318.204 2.697 20 30 DFEDLO CC(C)(C#N)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000278266342 334094194 /nfs/dbraw/zinc/09/41/94/334094194.db2.gz OONGUFYVADGION-UHFFFAOYSA-N 1 2 312.373 2.840 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)c1cccc(F)c1 ZINC000278591906 334098496 /nfs/dbraw/zinc/09/84/96/334098496.db2.gz UBJHEJMQYHYWKR-HNNXBMFYSA-N 1 2 314.364 2.705 20 30 DFEDLO CCc1cc(N)nc(SCc2ccc(OCC#N)cc2)[nH+]1 ZINC000279112997 334105838 /nfs/dbraw/zinc/10/58/38/334105838.db2.gz RULKVNRWVSGWFZ-UHFFFAOYSA-N 1 2 300.387 2.816 20 30 DFEDLO CC(C)(C#N)CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000279323000 334107859 /nfs/dbraw/zinc/10/78/59/334107859.db2.gz SMVDXGJYXLXBDP-UHFFFAOYSA-N 1 2 310.401 2.682 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1(C#N)CCOCC1 ZINC000280282937 334116006 /nfs/dbraw/zinc/11/60/06/334116006.db2.gz RRIFTYUQBSQFKW-UHFFFAOYSA-N 1 2 310.357 2.644 20 30 DFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000280455347 334117622 /nfs/dbraw/zinc/11/76/22/334117622.db2.gz NXUAOEVPNAYSRD-KRWDZBQOSA-N 1 2 319.474 2.895 20 30 DFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000280455347 334117624 /nfs/dbraw/zinc/11/76/24/334117624.db2.gz NXUAOEVPNAYSRD-KRWDZBQOSA-N 1 2 319.474 2.895 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282397837 334134007 /nfs/dbraw/zinc/13/40/07/334134007.db2.gz RWVJVRLBDXUIPR-AWEZNQCLSA-N 1 2 314.433 2.865 20 30 DFEDLO N#CCc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000340157529 334138826 /nfs/dbraw/zinc/13/88/26/334138826.db2.gz MEFLCTYLJFALBO-UHFFFAOYSA-N 1 2 316.364 2.868 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287061928 334156192 /nfs/dbraw/zinc/15/61/92/334156192.db2.gz MEJAACKMOPVKPK-GOSISDBHSA-N 1 2 314.433 2.865 20 30 DFEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000290890804 334174995 /nfs/dbraw/zinc/17/49/95/334174995.db2.gz CWNYOONEKGKAMN-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1c1ccccc1 ZINC000292106858 334184571 /nfs/dbraw/zinc/18/45/71/334184571.db2.gz IPLWGGIFHRVSMK-ZACQAIPSSA-N 1 2 310.397 2.711 20 30 DFEDLO N#C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1c1ccccc1 ZINC000292106858 334184572 /nfs/dbraw/zinc/18/45/72/334184572.db2.gz IPLWGGIFHRVSMK-ZACQAIPSSA-N 1 2 310.397 2.711 20 30 DFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCC#N ZINC000292100929 334184638 /nfs/dbraw/zinc/18/46/38/334184638.db2.gz LFINPCKLQUNOGW-UHFFFAOYSA-N 1 2 314.433 2.840 20 30 DFEDLO COC(=O)c1coc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1 ZINC000292214293 334185557 /nfs/dbraw/zinc/18/55/57/334185557.db2.gz UJTMDIKOLWYBNH-WBVHZDCISA-N 1 2 310.353 2.805 20 30 DFEDLO COC(=O)c1coc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1 ZINC000292214293 334185558 /nfs/dbraw/zinc/18/55/58/334185558.db2.gz UJTMDIKOLWYBNH-WBVHZDCISA-N 1 2 310.353 2.805 20 30 DFEDLO N#CCC[N@H+](Cc1ccco1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292754981 334191918 /nfs/dbraw/zinc/19/19/18/334191918.db2.gz IKIMNNGLKSHGCU-MRXNPFEDSA-N 1 2 302.349 2.738 20 30 DFEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292754981 334191919 /nfs/dbraw/zinc/19/19/19/334191919.db2.gz IKIMNNGLKSHGCU-MRXNPFEDSA-N 1 2 302.349 2.738 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353204920 334195085 /nfs/dbraw/zinc/19/50/85/334195085.db2.gz SXBTYQODUWTSFR-GJZGRUSLSA-N 1 2 311.372 2.884 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353204920 334195087 /nfs/dbraw/zinc/19/50/87/334195087.db2.gz SXBTYQODUWTSFR-GJZGRUSLSA-N 1 2 311.372 2.884 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)C[C@H]1c1ccccc1 ZINC000293848208 334202811 /nfs/dbraw/zinc/20/28/11/334202811.db2.gz HOBWGEFTGBWARJ-CVEARBPZSA-N 1 2 316.355 2.887 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cnn(CC(F)F)c2)C[C@H]1c1ccccc1 ZINC000293848208 334202814 /nfs/dbraw/zinc/20/28/14/334202814.db2.gz HOBWGEFTGBWARJ-CVEARBPZSA-N 1 2 316.355 2.887 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@]3(C#N)CC34CCCC4)sc2C1 ZINC000294559720 334210806 /nfs/dbraw/zinc/21/08/06/334210806.db2.gz SVDZABINGCBNTP-INIZCTEOSA-N 1 2 316.430 2.544 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)[C@@]3(C#N)CC34CCCC4)sc2C1 ZINC000294559720 334210807 /nfs/dbraw/zinc/21/08/07/334210807.db2.gz SVDZABINGCBNTP-INIZCTEOSA-N 1 2 316.430 2.544 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCSCC2)c1 ZINC000298598997 334250023 /nfs/dbraw/zinc/25/00/23/334250023.db2.gz ZOURSIVFLBPPIS-UHFFFAOYSA-N 1 2 317.458 2.599 20 30 DFEDLO CCC(CC)C(=O)N1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000298769220 334251301 /nfs/dbraw/zinc/25/13/01/334251301.db2.gz HPUDNDFFHFNXPG-XDHOZWIPSA-N 1 2 318.417 2.944 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)cc1 ZINC000299146179 334253541 /nfs/dbraw/zinc/25/35/41/334253541.db2.gz CGWJXMRUNFGGTI-ILXRZTDVSA-N 1 2 301.434 2.906 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000299146179 334253543 /nfs/dbraw/zinc/25/35/43/334253543.db2.gz CGWJXMRUNFGGTI-ILXRZTDVSA-N 1 2 301.434 2.906 20 30 DFEDLO C[N@@H+]1CCc2ncnc(Nc3cccc(OCCCC#N)c3)c2C1 ZINC000299622239 334256490 /nfs/dbraw/zinc/25/64/90/334256490.db2.gz QMIDOGINXFGOMA-UHFFFAOYSA-N 1 2 323.400 2.891 20 30 DFEDLO C[N@H+]1CCc2ncnc(Nc3cccc(OCCCC#N)c3)c2C1 ZINC000299622239 334256491 /nfs/dbraw/zinc/25/64/91/334256491.db2.gz QMIDOGINXFGOMA-UHFFFAOYSA-N 1 2 323.400 2.891 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341991096 334503618 /nfs/dbraw/zinc/50/36/18/334503618.db2.gz LTNGGTABLAKAOK-CQSZACIVSA-N 1 2 319.371 2.705 20 30 DFEDLO C=CCCN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000342394155 334537894 /nfs/dbraw/zinc/53/78/94/334537894.db2.gz XDOWETKUXNIREL-UHFFFAOYSA-N 1 2 312.417 2.691 20 30 DFEDLO COC(=O)C1([NH2+]Cc2ccc(CC#N)cc2)CCC(C)CC1 ZINC000342756729 334573458 /nfs/dbraw/zinc/57/34/58/334573458.db2.gz VHQPWWVUUDZWCW-UHFFFAOYSA-N 1 2 300.402 2.964 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1nccs1)CCC2 ZINC000328641797 334745517 /nfs/dbraw/zinc/74/55/17/334745517.db2.gz DLOGLFZDWSMEMJ-LBPRGKRZSA-N 1 2 319.434 2.571 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1ccccn1)CCC2 ZINC000328727690 334753780 /nfs/dbraw/zinc/75/37/80/334753780.db2.gz VESOEUBDPYIZRW-KBPBESRZSA-N 1 2 313.405 2.729 20 30 DFEDLO C=CC1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330702138 334804310 /nfs/dbraw/zinc/80/43/10/334804310.db2.gz OOHUNTYHPWDEHU-UHFFFAOYSA-N 1 2 316.327 2.757 20 30 DFEDLO Cc1cc(NC(=O)NCCCCO)c[nH+]c1N1CCCC[C@H]1C ZINC000331120004 334837572 /nfs/dbraw/zinc/83/75/72/334837572.db2.gz FZMQUILSXYIKJF-CQSZACIVSA-N 1 2 320.437 2.867 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000072590384 334882710 /nfs/dbraw/zinc/88/27/10/334882710.db2.gz BZHBUQGPHMDHGE-UHFFFAOYSA-N 1 2 304.390 2.665 20 30 DFEDLO C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000425468792 334919802 /nfs/dbraw/zinc/91/98/02/334919802.db2.gz FAUBSCHXECRQMY-IJEWVQPXSA-N 1 2 323.400 2.925 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)C1=O ZINC000343627068 335182900 /nfs/dbraw/zinc/18/29/00/335182900.db2.gz UULYWDRXTZERKV-LLVKDONJSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)C1=O ZINC000343627068 335182901 /nfs/dbraw/zinc/18/29/01/335182901.db2.gz UULYWDRXTZERKV-LLVKDONJSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1ccoc1C(=O)OC ZINC000344395037 335249343 /nfs/dbraw/zinc/24/93/43/335249343.db2.gz UOVVKLPJOYQMIS-UHFFFAOYSA-N 1 2 301.342 2.921 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C2 ZINC000366878353 335275696 /nfs/dbraw/zinc/27/56/96/335275696.db2.gz JGKQNRVPIGNHSW-INIZCTEOSA-N 1 2 322.412 2.738 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCC1 ZINC000345134896 335300432 /nfs/dbraw/zinc/30/04/32/335300432.db2.gz QCNSXCNZVYKJNB-WDEREUQCSA-N 1 2 307.344 2.566 20 30 DFEDLO Cc1c(C#N)c(NC[C@H](C)[NH+]2CCOCC2)nc2ccccc12 ZINC000296619493 533714737 /nfs/dbraw/zinc/71/47/37/533714737.db2.gz USINMEZAFDRDRY-ZDUSSCGKSA-N 1 2 310.401 2.548 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000347711166 335518974 /nfs/dbraw/zinc/51/89/74/335518974.db2.gz YRLUDYPAVLAZNZ-ABAIWWIYSA-N 1 2 302.328 2.932 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000347707616 335523131 /nfs/dbraw/zinc/52/31/31/335523131.db2.gz QRMYNQVELYWFOH-DGCLKSJQSA-N 1 2 321.808 2.877 20 30 DFEDLO Cc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cs1 ZINC000348322627 335577003 /nfs/dbraw/zinc/57/70/03/335577003.db2.gz NYCLNKRDXDAMDS-ZIBATOQPSA-N 1 2 308.451 2.545 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000349232325 335655254 /nfs/dbraw/zinc/65/52/54/335655254.db2.gz BMQXLHHIDPCARG-YXXKGXSTSA-N 1 2 318.421 2.645 20 30 DFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000329668449 336034382 /nfs/dbraw/zinc/03/43/82/336034382.db2.gz QZLVDJWFBDYWHZ-SWLSCSKDSA-N 1 2 305.765 2.871 20 30 DFEDLO C=CCCCCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000351681290 336057630 /nfs/dbraw/zinc/05/76/30/336057630.db2.gz YXGDUHKANLTYNY-UHFFFAOYSA-N 1 2 304.316 2.601 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCSC1)C1CCOCC1 ZINC000329703900 336060880 /nfs/dbraw/zinc/06/08/80/336060880.db2.gz INEDIEFWLSEBFH-UONOGXRCSA-N 1 2 323.462 2.988 20 30 DFEDLO [O-]C(=[NH+]C1CC(C(F)(F)F)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329714213 336067103 /nfs/dbraw/zinc/06/71/03/336067103.db2.gz SQDURFOEBDRHOT-HTAVTVPLSA-N 1 2 316.327 2.602 20 30 DFEDLO CO[C@@](C)(C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000329729021 336071398 /nfs/dbraw/zinc/07/13/98/336071398.db2.gz HLEKCDOACPLEQC-GOSISDBHSA-N 1 2 318.417 2.922 20 30 DFEDLO CCC1(C)CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329787681 336081773 /nfs/dbraw/zinc/08/17/73/336081773.db2.gz YXKORNJIFNAINB-CQSZACIVSA-N 1 2 320.437 2.534 20 30 DFEDLO O=C(N[C@H]1CCc2c1cccc2Cl)N1CCn2cc[nH+]c2C1 ZINC000329843870 336088530 /nfs/dbraw/zinc/08/85/30/336088530.db2.gz OEYXGCHTMUVRKZ-AWEZNQCLSA-N 1 2 316.792 2.954 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)C1CC1 ZINC000329857152 336089744 /nfs/dbraw/zinc/08/97/44/336089744.db2.gz VEURKPGOWQGETK-FRFSOERESA-N 1 2 305.422 2.525 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)C1CC1 ZINC000329857152 336089746 /nfs/dbraw/zinc/08/97/46/336089746.db2.gz VEURKPGOWQGETK-FRFSOERESA-N 1 2 305.422 2.525 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1C1CCC1 ZINC000329872382 336091311 /nfs/dbraw/zinc/09/13/11/336091311.db2.gz BIVXLJHNWFTARP-ZFWWWQNUSA-N 1 2 302.422 2.624 20 30 DFEDLO O=C(N[C@@H]1CCCc2sccc21)N1CCn2cc[nH+]c2C1 ZINC000329881110 336091891 /nfs/dbraw/zinc/09/18/91/336091891.db2.gz OBLHAZVMWOINTM-GFCCVEGCSA-N 1 2 302.403 2.752 20 30 DFEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1csc(=O)[nH]1 ZINC000329904721 336093769 /nfs/dbraw/zinc/09/37/69/336093769.db2.gz JFTJODSDGWKGSM-UHFFFAOYSA-N 1 2 318.402 2.739 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+]C[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000329903441 336093808 /nfs/dbraw/zinc/09/38/08/336093808.db2.gz IIRNPIYPCRMQSU-HNNXBMFYSA-N 1 2 324.428 2.726 20 30 DFEDLO Cc1cn2cc(NC(=O)N3C[C@@H](C)O[C@@H](C4CC4)C3)ccc2[nH+]1 ZINC000329965478 336100789 /nfs/dbraw/zinc/10/07/89/336100789.db2.gz VEBRIIJCZZUQIX-IUODEOHRSA-N 1 2 314.389 2.688 20 30 DFEDLO Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCn3cc[nH+]c3C1)O2 ZINC000330012844 336105838 /nfs/dbraw/zinc/10/58/38/336105838.db2.gz LFWMXJKLWYHXPY-GDBMZVCRSA-N 1 2 311.385 2.857 20 30 DFEDLO CCN1CCOC[C@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000330042606 336108772 /nfs/dbraw/zinc/10/87/72/336108772.db2.gz DTGHLWHWTGHXMS-HNNXBMFYSA-N 1 2 314.389 2.694 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330143391 336117796 /nfs/dbraw/zinc/11/77/96/336117796.db2.gz RBRVESYJUUYIGX-BDJLRTHQSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330143391 336117797 /nfs/dbraw/zinc/11/77/97/336117797.db2.gz RBRVESYJUUYIGX-BDJLRTHQSA-N 1 2 318.373 2.503 20 30 DFEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000330155345 336118921 /nfs/dbraw/zinc/11/89/21/336118921.db2.gz YEVCZGGHCTWJFB-WBVHZDCISA-N 1 2 316.401 2.578 20 30 DFEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000330155345 336118922 /nfs/dbraw/zinc/11/89/22/336118922.db2.gz YEVCZGGHCTWJFB-WBVHZDCISA-N 1 2 316.401 2.578 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330183071 336121504 /nfs/dbraw/zinc/12/15/04/336121504.db2.gz HQNAEGNLTVFJBD-HNNXBMFYSA-N 1 2 324.428 2.905 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H](C)C[C@@H]1CCCO1 ZINC000330180753 336121613 /nfs/dbraw/zinc/12/16/13/336121613.db2.gz GFDBWYMDVSSUOV-KBMXLJTQSA-N 1 2 320.437 2.528 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330191217 336122590 /nfs/dbraw/zinc/12/25/90/336122590.db2.gz WWBPXUCTXKJAEJ-HOCLYGCPSA-N 1 2 310.401 2.697 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330191217 336122591 /nfs/dbraw/zinc/12/25/91/336122591.db2.gz WWBPXUCTXKJAEJ-HOCLYGCPSA-N 1 2 310.401 2.697 20 30 DFEDLO CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199453 336123365 /nfs/dbraw/zinc/12/33/65/336123365.db2.gz VLPXCFKLVGPYDT-ILXRZTDVSA-N 1 2 304.438 2.916 20 30 DFEDLO CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199453 336123369 /nfs/dbraw/zinc/12/33/69/336123369.db2.gz VLPXCFKLVGPYDT-ILXRZTDVSA-N 1 2 304.438 2.916 20 30 DFEDLO CSC[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000330221484 336126254 /nfs/dbraw/zinc/12/62/54/336126254.db2.gz RCMVTFHGFHYXJQ-ZIAGYGMSSA-N 1 2 322.478 2.750 20 30 DFEDLO C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCS1 ZINC000330240997 336128946 /nfs/dbraw/zinc/12/89/46/336128946.db2.gz FNHUMZJVULMGNX-CHWSQXEVSA-N 1 2 308.451 2.502 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)n1 ZINC000330246164 336129408 /nfs/dbraw/zinc/12/94/08/336129408.db2.gz LCSNYCPEDVSOBT-CYBMUJFWSA-N 1 2 309.435 2.788 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)n1 ZINC000330246164 336129410 /nfs/dbraw/zinc/12/94/10/336129410.db2.gz LCSNYCPEDVSOBT-CYBMUJFWSA-N 1 2 309.435 2.788 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1C[C@@H]2CCCC[C@H]2C1 ZINC000330267357 336131611 /nfs/dbraw/zinc/13/16/11/336131611.db2.gz ALJXVJHLUUJJGN-KBPBESRZSA-N 1 2 302.422 2.755 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000330280647 336133389 /nfs/dbraw/zinc/13/33/89/336133389.db2.gz STAQCPPAOIMTRN-KFWWJZLASA-N 1 2 320.437 2.912 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1csc([C@@H]2CCCO2)n1 ZINC000330303352 336145880 /nfs/dbraw/zinc/14/58/80/336145880.db2.gz JWVZACCOWALHCP-PWSUYJOCSA-N 1 2 318.402 2.511 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2CCCCC2)CCO1 ZINC000330318701 336153725 /nfs/dbraw/zinc/15/37/25/336153725.db2.gz CPMOFQXAZBMZKH-ZBFHGGJFSA-N 1 2 320.437 2.724 20 30 DFEDLO CC(C)(C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000332195039 336162275 /nfs/dbraw/zinc/16/22/75/336162275.db2.gz GYYPPTRQDCUIGZ-UHFFFAOYSA-N 1 2 310.401 2.894 20 30 DFEDLO CCc1noc(C)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330340336 336172282 /nfs/dbraw/zinc/17/22/82/336172282.db2.gz XUSFKXOCTUECJD-RISCZKNCSA-N 1 2 318.377 2.504 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000352039728 336191247 /nfs/dbraw/zinc/19/12/47/336191247.db2.gz RDGWKZYNLMUHPH-SFHVURJKSA-N 1 2 320.433 2.894 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000352180395 336199532 /nfs/dbraw/zinc/19/95/32/336199532.db2.gz MNJUPJGPEBUYFD-WMZOPIPTSA-N 1 2 322.412 2.997 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000333681517 336208086 /nfs/dbraw/zinc/20/80/86/336208086.db2.gz ZXVDIBMBPQDIRJ-AEGPPILISA-N 1 2 301.365 2.603 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000352448879 336219691 /nfs/dbraw/zinc/21/96/91/336219691.db2.gz JNMUMHWFACFONW-UHFFFAOYSA-N 1 2 319.771 2.748 20 30 DFEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352463314 336220645 /nfs/dbraw/zinc/22/06/45/336220645.db2.gz JCGKAFNPBLDORU-UHFFFAOYSA-N 1 2 310.756 2.954 20 30 DFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352485515 336221462 /nfs/dbraw/zinc/22/14/62/336221462.db2.gz YYVNYQPBTYRWGM-KGLIPLIRSA-N 1 2 303.381 2.580 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000352788562 336236718 /nfs/dbraw/zinc/23/67/18/336236718.db2.gz ABCWKWAYWFQCOP-CYBMUJFWSA-N 1 2 317.389 2.715 20 30 DFEDLO CC1CC(C#N)(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000532322298 336238912 /nfs/dbraw/zinc/23/89/12/336238912.db2.gz GHJZOUHACWBQOH-UHFFFAOYSA-N 1 2 312.417 2.628 20 30 DFEDLO CC1CC(C#N)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000532335152 336241880 /nfs/dbraw/zinc/24/18/80/336241880.db2.gz KUMNSOANEBDEKF-UHFFFAOYSA-N 1 2 322.412 2.830 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000352821667 336256911 /nfs/dbraw/zinc/25/69/11/336256911.db2.gz BVIRNMGXBHOUGS-UHFFFAOYSA-N 1 2 302.418 2.614 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000352821667 336256912 /nfs/dbraw/zinc/25/69/12/336256912.db2.gz BVIRNMGXBHOUGS-UHFFFAOYSA-N 1 2 302.418 2.614 20 30 DFEDLO C=CCNC(=O)CNc1cc[nH+]c2c(Br)cccc12 ZINC000302077024 336347283 /nfs/dbraw/zinc/34/72/83/336347283.db2.gz YQMKCKVUXFHILH-UHFFFAOYSA-N 1 2 320.190 2.711 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C(C)C)C1=O ZINC000352902322 336375337 /nfs/dbraw/zinc/37/53/37/336375337.db2.gz MHBOGCNSJAWRSG-QGZVFWFLSA-N 1 2 318.465 2.851 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C(C)C)C1=O ZINC000352902322 336375338 /nfs/dbraw/zinc/37/53/38/336375338.db2.gz MHBOGCNSJAWRSG-QGZVFWFLSA-N 1 2 318.465 2.851 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C2CC2)C1=O ZINC000352900900 336375425 /nfs/dbraw/zinc/37/54/25/336375425.db2.gz JAJUBIMZDALYKY-KRWDZBQOSA-N 1 2 316.449 2.605 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C2CC2)C1=O ZINC000352900900 336375426 /nfs/dbraw/zinc/37/54/26/336375426.db2.gz JAJUBIMZDALYKY-KRWDZBQOSA-N 1 2 316.449 2.605 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NC1CCCC1)Cc1cnn(C(C)C)c1 ZINC000352904523 336375710 /nfs/dbraw/zinc/37/57/10/336375710.db2.gz VFKFLDILKPDCFX-UHFFFAOYSA-N 1 2 318.465 2.901 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NC1CCCC1)Cc1cnn(C(C)C)c1 ZINC000352904523 336375711 /nfs/dbraw/zinc/37/57/11/336375711.db2.gz VFKFLDILKPDCFX-UHFFFAOYSA-N 1 2 318.465 2.901 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N(C)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352953644 336379186 /nfs/dbraw/zinc/37/91/86/336379186.db2.gz RUIGHNPTLXVWFZ-UHFFFAOYSA-N 1 2 306.454 2.709 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N(C)C(C)C)Cc1cnn(C(C)C)c1 ZINC000352953644 336379187 /nfs/dbraw/zinc/37/91/87/336379187.db2.gz RUIGHNPTLXVWFZ-UHFFFAOYSA-N 1 2 306.454 2.709 20 30 DFEDLO C=CCCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000353152586 336404834 /nfs/dbraw/zinc/40/48/34/336404834.db2.gz XHUZQGUHAODSJI-UHFFFAOYSA-N 1 2 320.437 2.763 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@H](C)C#N ZINC000354470151 336472057 /nfs/dbraw/zinc/47/20/57/336472057.db2.gz OLKSZXFELZSNTB-AWEZNQCLSA-N 1 2 312.417 2.997 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H](C(=O)OC)[C@H](C)CC)cc(OC)c1O ZINC000355075493 336493909 /nfs/dbraw/zinc/49/39/09/336493909.db2.gz KDZTUKNBMGYXTB-WBMJQRKESA-N 1 2 321.417 2.807 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000361110870 336738951 /nfs/dbraw/zinc/73/89/51/336738951.db2.gz RHVZNQILJSSDRX-WCQYABFASA-N 1 2 305.365 2.534 20 30 DFEDLO C#CCOCCC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000121637049 336969804 /nfs/dbraw/zinc/96/98/04/336969804.db2.gz QBAGGPPJQSJZLC-UHFFFAOYSA-N 1 2 323.396 2.865 20 30 DFEDLO N#CCc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000375190347 337005544 /nfs/dbraw/zinc/00/55/44/337005544.db2.gz ACFZPGBLYQTTES-UHFFFAOYSA-N 1 2 320.396 2.500 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000375983381 337024522 /nfs/dbraw/zinc/02/45/22/337024522.db2.gz HKMDEOPEGISVKI-INIZCTEOSA-N 1 2 311.385 2.642 20 30 DFEDLO C#C[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376641720 337038802 /nfs/dbraw/zinc/03/88/02/337038802.db2.gz SGXDKUJKZWCHIS-CYBMUJFWSA-N 1 2 306.369 2.745 20 30 DFEDLO C#C[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376641722 337038845 /nfs/dbraw/zinc/03/88/45/337038845.db2.gz SGXDKUJKZWCHIS-ZDUSSCGKSA-N 1 2 306.369 2.745 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376920908 337043719 /nfs/dbraw/zinc/04/37/19/337043719.db2.gz BICQKOBEQICLJE-HOTGVXAUSA-N 1 2 322.412 2.921 20 30 DFEDLO C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000377006248 337045110 /nfs/dbraw/zinc/04/51/10/337045110.db2.gz PXDIMPHXRUEACI-GJZGRUSLSA-N 1 2 317.437 2.806 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000377692422 337058442 /nfs/dbraw/zinc/05/84/42/337058442.db2.gz FRDDCHKUMWDVTM-SFHVURJKSA-N 1 2 309.413 2.592 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000377692422 337058443 /nfs/dbraw/zinc/05/84/43/337058443.db2.gz FRDDCHKUMWDVTM-SFHVURJKSA-N 1 2 309.413 2.592 20 30 DFEDLO C=CCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000378301765 337069578 /nfs/dbraw/zinc/06/95/78/337069578.db2.gz PDVBZYVJQVVUTF-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000378301765 337069579 /nfs/dbraw/zinc/06/95/79/337069579.db2.gz PDVBZYVJQVVUTF-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000175376499 337145604 /nfs/dbraw/zinc/14/56/04/337145604.db2.gz YZUBAEFCQMVUHF-SFHVURJKSA-N 1 2 316.445 2.841 20 30 DFEDLO C#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178420338 337164629 /nfs/dbraw/zinc/16/46/29/337164629.db2.gz QBVIKODWAYWQRY-MSOLQXFVSA-N 1 2 322.412 2.824 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000180987394 337179048 /nfs/dbraw/zinc/17/90/48/337179048.db2.gz AAFAGPVJKRQREB-HUUCEWRRSA-N 1 2 302.422 2.704 20 30 DFEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000184728407 337200167 /nfs/dbraw/zinc/20/01/67/337200167.db2.gz MCKZLQGVRNYZOK-MRXNPFEDSA-N 1 2 317.408 2.937 20 30 DFEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000184728407 337200168 /nfs/dbraw/zinc/20/01/68/337200168.db2.gz MCKZLQGVRNYZOK-MRXNPFEDSA-N 1 2 317.408 2.937 20 30 DFEDLO Cn1cc(-c2cc(C[N@H+](CCC#N)CC(C)(C)C)on2)cn1 ZINC000185008583 337201347 /nfs/dbraw/zinc/20/13/47/337201347.db2.gz CRCQFSJZKBZVAV-UHFFFAOYSA-N 1 2 301.394 2.837 20 30 DFEDLO Cn1cc(-c2cc(C[N@@H+](CCC#N)CC(C)(C)C)on2)cn1 ZINC000185008583 337201348 /nfs/dbraw/zinc/20/13/48/337201348.db2.gz CRCQFSJZKBZVAV-UHFFFAOYSA-N 1 2 301.394 2.837 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187314292 337264044 /nfs/dbraw/zinc/26/40/44/337264044.db2.gz ASWYEKRCJLIISF-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187314292 337264045 /nfs/dbraw/zinc/26/40/45/337264045.db2.gz ASWYEKRCJLIISF-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO C=CCC1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC1 ZINC000189493642 337279507 /nfs/dbraw/zinc/27/95/07/337279507.db2.gz QNLJYQMENYTPGL-OAHLLOKOSA-N 1 2 301.434 2.948 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000191099749 337294072 /nfs/dbraw/zinc/29/40/72/337294072.db2.gz OKGLGKAKCRDARP-LLVKDONJSA-N 1 2 321.446 2.797 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000191099749 337294073 /nfs/dbraw/zinc/29/40/73/337294073.db2.gz OKGLGKAKCRDARP-LLVKDONJSA-N 1 2 321.446 2.797 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000191131896 337294447 /nfs/dbraw/zinc/29/44/47/337294447.db2.gz DEMXBGBGTRJQBP-UHFFFAOYSA-N 1 2 307.344 2.785 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000191131896 337294448 /nfs/dbraw/zinc/29/44/48/337294448.db2.gz DEMXBGBGTRJQBP-UHFFFAOYSA-N 1 2 307.344 2.785 20 30 DFEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000584445664 337326375 /nfs/dbraw/zinc/32/63/75/337326375.db2.gz INFGZYBPOINANN-KRWDZBQOSA-N 1 2 320.396 2.927 20 30 DFEDLO CCCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1Cl ZINC000584622895 337375038 /nfs/dbraw/zinc/37/50/38/337375038.db2.gz SNBAVYYWSLFZBE-INIZCTEOSA-N 1 2 307.825 2.866 20 30 DFEDLO CC(C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179627 337387393 /nfs/dbraw/zinc/38/73/93/337387393.db2.gz CKQXQVYBHCUZGA-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000564098275 337454117 /nfs/dbraw/zinc/45/41/17/337454117.db2.gz KRRXCFYJTDYPPK-JTQLQIEISA-N 1 2 318.402 2.525 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000045053182 337817831 /nfs/dbraw/zinc/81/78/31/337817831.db2.gz XXIDJWSODZKEKR-UHFFFAOYSA-N 1 2 323.396 2.609 20 30 DFEDLO CCCNC(=O)C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC ZINC000426376903 338029591 /nfs/dbraw/zinc/02/95/91/338029591.db2.gz GNSFBFBSEHIAGT-UHFFFAOYSA-N 1 2 306.837 2.930 20 30 DFEDLO CCCNC(=O)C[N@H+](CC#Cc1ccc(Cl)cc1)CCC ZINC000426376903 338029592 /nfs/dbraw/zinc/02/95/92/338029592.db2.gz GNSFBFBSEHIAGT-UHFFFAOYSA-N 1 2 306.837 2.930 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000428848818 338062169 /nfs/dbraw/zinc/06/21/69/338062169.db2.gz ZQTHRYNRTRKFBE-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000428848818 338062170 /nfs/dbraw/zinc/06/21/70/338062170.db2.gz ZQTHRYNRTRKFBE-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO COCc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433022101 338176684 /nfs/dbraw/zinc/17/66/84/338176684.db2.gz ISPAVCSIWAYZJE-CQSZACIVSA-N 1 2 300.362 2.741 20 30 DFEDLO COC(=O)c1cnoc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433028110 338177209 /nfs/dbraw/zinc/17/72/09/338177209.db2.gz NOMURXHWOVQOPC-HNNXBMFYSA-N 1 2 313.357 2.986 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433234303 338187085 /nfs/dbraw/zinc/18/70/85/338187085.db2.gz ROJIZCBMXWURIV-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433234303 338187086 /nfs/dbraw/zinc/18/70/86/338187086.db2.gz ROJIZCBMXWURIV-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000433296384 338189989 /nfs/dbraw/zinc/18/99/89/338189989.db2.gz HTUQVXSBSKYVHE-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000433296384 338189990 /nfs/dbraw/zinc/18/99/90/338189990.db2.gz HTUQVXSBSKYVHE-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433323222 338192384 /nfs/dbraw/zinc/19/23/84/338192384.db2.gz VNSGEASEJIPBMZ-UHFFFAOYSA-N 1 2 302.374 2.512 20 30 DFEDLO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433323222 338192385 /nfs/dbraw/zinc/19/23/85/338192385.db2.gz VNSGEASEJIPBMZ-UHFFFAOYSA-N 1 2 302.374 2.512 20 30 DFEDLO Cc1cc(C)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000154777287 338252309 /nfs/dbraw/zinc/25/23/09/338252309.db2.gz DWMLKRKPZYBDME-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO Cc1cc(C)c(C[N@H+](CCC#N)CCN2CCOCC2)cc1C ZINC000154777287 338252310 /nfs/dbraw/zinc/25/23/10/338252310.db2.gz DWMLKRKPZYBDME-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO Cc1cc(C)c(C[N@@H+](CCC#N)CCN2CCOCC2)cc1C ZINC000154777287 338252311 /nfs/dbraw/zinc/25/23/11/338252311.db2.gz DWMLKRKPZYBDME-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000448584417 338300811 /nfs/dbraw/zinc/30/08/11/338300811.db2.gz YHFURHQABRVOKM-SUMWQHHRSA-N 1 2 317.820 2.534 20 30 DFEDLO C=CCN(CC=C)C(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000437264301 338305258 /nfs/dbraw/zinc/30/52/58/338305258.db2.gz DOQHHDCWAMVIHP-UHFFFAOYSA-N 1 2 310.401 2.846 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000437528589 338312762 /nfs/dbraw/zinc/31/27/62/338312762.db2.gz YBCGOUBALMCZDY-DOTOQJQBSA-N 1 2 311.385 2.583 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000438046094 338329049 /nfs/dbraw/zinc/32/90/49/338329049.db2.gz FEPMIVQMQYRQPE-SFHVURJKSA-N 1 2 319.449 2.773 20 30 DFEDLO C=C(CC)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000454642235 338868543 /nfs/dbraw/zinc/86/85/43/338868543.db2.gz LPXIJOWBEVXHSH-CQSZACIVSA-N 1 2 311.376 2.833 20 30 DFEDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000459468077 339030884 /nfs/dbraw/zinc/03/08/84/339030884.db2.gz QNEBMWYRVUBPNS-OUCADQQQSA-N 1 2 316.361 2.512 20 30 DFEDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000459468079 339030918 /nfs/dbraw/zinc/03/09/18/339030918.db2.gz QNEBMWYRVUBPNS-SCRDCRAPSA-N 1 2 316.361 2.512 20 30 DFEDLO COCCN(CC#N)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000459536571 339034543 /nfs/dbraw/zinc/03/45/43/339034543.db2.gz QBYBEVSCAALZLU-UHFFFAOYSA-N 1 2 314.433 2.987 20 30 DFEDLO CCOC1(C)C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000459624996 339039082 /nfs/dbraw/zinc/03/90/82/339039082.db2.gz SEFBFQWYBVIPGN-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459673869 339042302 /nfs/dbraw/zinc/04/23/02/339042302.db2.gz IQOZMNIJFBILPA-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459673869 339042303 /nfs/dbraw/zinc/04/23/03/339042303.db2.gz IQOZMNIJFBILPA-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc2cnccn12)c1ccc(Cl)cc1F ZINC000491264456 339855502 /nfs/dbraw/zinc/85/55/02/339855502.db2.gz GQZVKZFWGMQNSS-OAHLLOKOSA-N 1 2 314.751 2.986 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000491708460 339875363 /nfs/dbraw/zinc/87/53/63/339875363.db2.gz PWIQFVOYLOUANQ-MRXNPFEDSA-N 1 2 314.433 2.673 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000491750697 339878633 /nfs/dbraw/zinc/87/86/33/339878633.db2.gz WYIZDHQGJMKORW-INIZCTEOSA-N 1 2 322.343 2.647 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(Cl)cc1F ZINC000491779294 339881098 /nfs/dbraw/zinc/88/10/98/339881098.db2.gz ITQCGEOMWDBXGA-OAHLLOKOSA-N 1 2 318.783 2.799 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000491783646 339881345 /nfs/dbraw/zinc/88/13/45/339881345.db2.gz RAOBYYCPPSHHBY-ZFWWWQNUSA-N 1 2 305.447 2.548 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)CC1 ZINC000497011452 340018225 /nfs/dbraw/zinc/01/82/25/340018225.db2.gz PSNYHLSBPXFLPH-OAHLLOKOSA-N 1 2 305.422 2.813 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)CC1 ZINC000497011452 340018226 /nfs/dbraw/zinc/01/82/26/340018226.db2.gz PSNYHLSBPXFLPH-OAHLLOKOSA-N 1 2 305.422 2.813 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Br ZINC000516978076 340460590 /nfs/dbraw/zinc/46/05/90/340460590.db2.gz AFAAWCWAIQOPEN-JTQLQIEISA-N 1 2 310.195 2.669 20 30 DFEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)cc(OC)c1OC ZINC000545219665 341115111 /nfs/dbraw/zinc/11/51/11/341115111.db2.gz VBALWSIOQMIARH-UHFFFAOYSA-N 1 2 313.357 2.786 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000547666607 341226263 /nfs/dbraw/zinc/22/62/63/341226263.db2.gz ITHXUHRRQIDGHC-AWEZNQCLSA-N 1 2 312.373 2.584 20 30 DFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000564342825 341248801 /nfs/dbraw/zinc/24/88/01/341248801.db2.gz HXGSUQJCDYVVLK-HOCLYGCPSA-N 1 2 317.433 2.934 20 30 DFEDLO C#CCOc1ccc(F)cc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000137247045 341273883 /nfs/dbraw/zinc/27/38/83/341273883.db2.gz NXEQYDPTKAVDNR-BQYQJAHWSA-N 1 2 313.332 2.706 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798925 341276169 /nfs/dbraw/zinc/27/61/69/341276169.db2.gz SPNWBUMFVGUCES-CQSZACIVSA-N 1 2 315.417 2.669 20 30 DFEDLO CCOc1cc2c(cc1C[NH2+]C[C@@H](C#N)CCC#N)O[C@H](C)C2 ZINC000551660535 341348253 /nfs/dbraw/zinc/34/82/53/341348253.db2.gz HVFASVNCVJJSJC-ZIAGYGMSSA-N 1 2 313.401 2.942 20 30 DFEDLO Cc1nc(C2CCCC2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565051316 341515916 /nfs/dbraw/zinc/51/59/16/341515916.db2.gz KQYAUCSGXXNTMM-INIZCTEOSA-N 1 2 320.462 2.683 20 30 DFEDLO N#CCCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1cccnc1 ZINC000159038839 341667583 /nfs/dbraw/zinc/66/75/83/341667583.db2.gz FSTHNLOUGGCCSA-UHFFFAOYSA-N 1 2 316.368 2.517 20 30 DFEDLO CC[N@H+](Cc1ncnn1CC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000362918458 535393916 /nfs/dbraw/zinc/39/39/16/535393916.db2.gz NLFABTXJMICTKH-GFCCVEGCSA-N 1 2 319.359 2.998 20 30 DFEDLO CC[N@@H+](Cc1ncnn1CC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000362918458 535393917 /nfs/dbraw/zinc/39/39/17/535393917.db2.gz NLFABTXJMICTKH-GFCCVEGCSA-N 1 2 319.359 2.998 20 30 DFEDLO CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000361619143 535395699 /nfs/dbraw/zinc/39/56/99/535395699.db2.gz FMQXNTSGCFZRCS-CYBMUJFWSA-N 1 2 312.421 2.883 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369541431 536155119 /nfs/dbraw/zinc/15/51/19/536155119.db2.gz NXEWTYOCRRYRRG-ZWKOTPCHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369541431 536155126 /nfs/dbraw/zinc/15/51/26/536155126.db2.gz NXEWTYOCRRYRRG-ZWKOTPCHSA-N 1 2 318.392 2.857 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nccs1 ZINC000175047443 536881915 /nfs/dbraw/zinc/88/19/15/536881915.db2.gz ABAOMKRRQROSMI-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nccs1 ZINC000175047443 536881923 /nfs/dbraw/zinc/88/19/23/536881923.db2.gz ABAOMKRRQROSMI-UHFFFAOYSA-N 1 2 303.387 2.534 20 30 DFEDLO O[C@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866555 545555002 /nfs/dbraw/zinc/55/50/02/545555002.db2.gz RJBSJQCIHVRICM-NGJCXOISSA-N 1 2 319.167 2.582 20 30 DFEDLO O[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866555 545555006 /nfs/dbraw/zinc/55/50/06/545555006.db2.gz RJBSJQCIHVRICM-NGJCXOISSA-N 1 2 319.167 2.582 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000680918086 545563299 /nfs/dbraw/zinc/56/32/99/545563299.db2.gz BDXVWIMBQCIJKD-AWEZNQCLSA-N 1 2 308.447 2.546 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)CCC1 ZINC000682923092 545941346 /nfs/dbraw/zinc/94/13/46/545941346.db2.gz ZYGNLUOWYMMCJD-HNNXBMFYSA-N 1 2 317.433 2.762 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCC1 ZINC000682923092 545941349 /nfs/dbraw/zinc/94/13/49/545941349.db2.gz ZYGNLUOWYMMCJD-HNNXBMFYSA-N 1 2 317.433 2.762 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000683223954 545992223 /nfs/dbraw/zinc/99/22/23/545992223.db2.gz NGHRRYLCTRQSFD-AWEZNQCLSA-N 1 2 314.223 2.827 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1cc(OC)ccc1Br ZINC000683223954 545992225 /nfs/dbraw/zinc/99/22/25/545992225.db2.gz NGHRRYLCTRQSFD-AWEZNQCLSA-N 1 2 314.223 2.827 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000683784875 546094205 /nfs/dbraw/zinc/09/42/05/546094205.db2.gz IOVINFZBECLECB-SFHVURJKSA-N 1 2 314.385 2.656 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000683784875 546094209 /nfs/dbraw/zinc/09/42/09/546094209.db2.gz IOVINFZBECLECB-SFHVURJKSA-N 1 2 314.385 2.656 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1c1c[nH+]cn1C)OCC ZINC000685306693 546340998 /nfs/dbraw/zinc/34/09/98/546340998.db2.gz ICUDTICARIALBB-ZBFHGGJFSA-N 1 2 305.422 2.845 20 30 DFEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000685882052 546404816 /nfs/dbraw/zinc/40/48/16/546404816.db2.gz QIVLRDVUQSMQJF-OAHLLOKOSA-N 1 2 305.422 2.939 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(Cl)cc1 ZINC000491438593 398351110 /nfs/dbraw/zinc/35/11/10/398351110.db2.gz DQOZAPQSXATNCS-HNNXBMFYSA-N 1 2 300.793 2.660 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000596197481 398354452 /nfs/dbraw/zinc/35/44/52/398354452.db2.gz DNOGKGQZZGGOHK-ZBFHGGJFSA-N 1 2 323.400 2.754 20 30 DFEDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596214996 398359507 /nfs/dbraw/zinc/35/95/07/398359507.db2.gz OVFRSFMFBVRFJV-MRXNPFEDSA-N 1 2 324.340 2.828 20 30 DFEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CC(C)C1)c1nc2c(s1)CCCC2 ZINC000578203855 398371436 /nfs/dbraw/zinc/37/14/36/398371436.db2.gz ATBLKGPYLVQAEB-CYBMUJFWSA-N 1 2 319.474 2.881 20 30 DFEDLO Cc1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)sc1C ZINC000088593122 185258679 /nfs/dbraw/zinc/25/86/79/185258679.db2.gz VJYWWACMWZZZAF-UHFFFAOYSA-N 1 2 312.442 2.954 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000592056180 398377477 /nfs/dbraw/zinc/37/74/77/398377477.db2.gz XYLXUMRLLFHFRI-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578776216 398375594 /nfs/dbraw/zinc/37/55/94/398375594.db2.gz YYQSZOYOESDXEP-VCBZYWHSSA-N 1 2 313.445 2.936 20 30 DFEDLO Cc1cccc(CCCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[nH+]1 ZINC000286596684 219073991 /nfs/dbraw/zinc/07/39/91/219073991.db2.gz ORSZDRGSHYARBN-UHFFFAOYSA-N 1 2 311.345 2.797 20 30 DFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1C#N ZINC000592120140 398386523 /nfs/dbraw/zinc/38/65/23/398386523.db2.gz DPOWAQKSHQGEEY-SJORKVTESA-N 1 2 305.385 2.507 20 30 DFEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1C#N ZINC000592120140 398386524 /nfs/dbraw/zinc/38/65/24/398386524.db2.gz DPOWAQKSHQGEEY-SJORKVTESA-N 1 2 305.385 2.507 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245727891 398387180 /nfs/dbraw/zinc/38/71/80/398387180.db2.gz BVEUZLLBVZHACC-HQLMBJAVSA-N 1 2 317.477 2.941 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245727891 398387184 /nfs/dbraw/zinc/38/71/84/398387184.db2.gz BVEUZLLBVZHACC-HQLMBJAVSA-N 1 2 317.477 2.941 20 30 DFEDLO C=CCC[C@H]1NC(=O)N([C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000581598203 398391817 /nfs/dbraw/zinc/39/18/17/398391817.db2.gz IJECCJIKDYTBEV-XJKSGUPXSA-N 1 2 324.384 2.820 20 30 DFEDLO N#Cc1ccc2ncc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)n2c1 ZINC000092728982 185336571 /nfs/dbraw/zinc/33/65/71/185336571.db2.gz XHNZVVVYURHFGR-OAHLLOKOSA-N 1 2 306.373 2.656 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000592147763 398392910 /nfs/dbraw/zinc/39/29/10/398392910.db2.gz ODZIFXGKQNIPFR-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000592147763 398392912 /nfs/dbraw/zinc/39/29/12/398392912.db2.gz ODZIFXGKQNIPFR-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO C=CCCSCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000596413065 398406906 /nfs/dbraw/zinc/40/69/06/398406906.db2.gz CJENTNLDKOEHNB-AWEZNQCLSA-N 1 2 322.478 2.549 20 30 DFEDLO C=CCCSCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000596413065 398406909 /nfs/dbraw/zinc/40/69/09/398406909.db2.gz CJENTNLDKOEHNB-AWEZNQCLSA-N 1 2 322.478 2.549 20 30 DFEDLO COc1cc(Cl)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Cl ZINC000592522458 398440665 /nfs/dbraw/zinc/44/06/65/398440665.db2.gz NKMAYQPAFHVXRM-CQSZACIVSA-N 1 2 315.200 2.852 20 30 DFEDLO COc1cc(Cl)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Cl ZINC000592522458 398440667 /nfs/dbraw/zinc/44/06/67/398440667.db2.gz NKMAYQPAFHVXRM-CQSZACIVSA-N 1 2 315.200 2.852 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)Cc1[nH+]ccc(OC)c1OC ZINC000190455885 334950933 /nfs/dbraw/zinc/95/09/33/334950933.db2.gz WRPSHKKRBIENTK-UHFFFAOYSA-N 1 2 314.360 2.873 20 30 DFEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)nc1 ZINC000586759891 398454361 /nfs/dbraw/zinc/45/43/61/398454361.db2.gz GSNSLRFADCOLQP-UHFFFAOYSA-N 1 2 313.332 2.511 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)nc1 ZINC000586759891 398454365 /nfs/dbraw/zinc/45/43/65/398454365.db2.gz GSNSLRFADCOLQP-UHFFFAOYSA-N 1 2 313.332 2.511 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccncc1 ZINC000596595205 398456700 /nfs/dbraw/zinc/45/67/00/398456700.db2.gz YOLNBMAZSFDBKI-GOSISDBHSA-N 1 2 320.396 2.975 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000586777298 398456943 /nfs/dbraw/zinc/45/69/43/398456943.db2.gz KQFCHDGJQLFGBC-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000586777298 398456946 /nfs/dbraw/zinc/45/69/46/398456946.db2.gz KQFCHDGJQLFGBC-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccncc1 ZINC000596595205 398456697 /nfs/dbraw/zinc/45/66/97/398456697.db2.gz YOLNBMAZSFDBKI-GOSISDBHSA-N 1 2 320.396 2.975 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000586777780 398457444 /nfs/dbraw/zinc/45/74/44/398457444.db2.gz YHBSBDKHPQFVFJ-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000586777780 398457446 /nfs/dbraw/zinc/45/74/46/398457446.db2.gz YHBSBDKHPQFVFJ-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000596619823 398462660 /nfs/dbraw/zinc/46/26/60/398462660.db2.gz COHGYIOFDGTQII-WFASDCNBSA-N 1 2 323.400 2.995 20 30 DFEDLO COc1ccc([C@H](NC[C@@H](C#N)CCC#N)c2[nH+]ccn2C)cc1 ZINC000028693497 398474912 /nfs/dbraw/zinc/47/49/12/398474912.db2.gz IUCZMNNOWVXHNJ-PBHICJAKSA-N 1 2 323.400 2.551 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000588015249 398476455 /nfs/dbraw/zinc/47/64/55/398476455.db2.gz YKNNMWUYBXHQNR-UHFFFAOYSA-N 1 2 310.405 2.550 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596722174 398486005 /nfs/dbraw/zinc/48/60/05/398486005.db2.gz PDEDJDHRUDVTSX-CQSZACIVSA-N 1 2 308.451 2.539 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000297443214 398491748 /nfs/dbraw/zinc/49/17/48/398491748.db2.gz BATWRYFVBPELDC-CRAIPNDOSA-N 1 2 322.412 2.657 20 30 DFEDLO N#CCCCCCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000588343445 398495185 /nfs/dbraw/zinc/49/51/85/398495185.db2.gz PGLNXDXRKXQMCM-UHFFFAOYSA-N 1 2 302.300 2.536 20 30 DFEDLO COCC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091069569 398506806 /nfs/dbraw/zinc/50/68/06/398506806.db2.gz WSFRRFPFSQDANC-UHFFFAOYSA-N 1 2 324.428 2.911 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000592998073 398516091 /nfs/dbraw/zinc/51/60/91/398516091.db2.gz PDAFMJIPFZDNNF-GOEBONIOSA-N 1 2 301.346 2.610 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000592998073 398516092 /nfs/dbraw/zinc/51/60/92/398516092.db2.gz PDAFMJIPFZDNNF-GOEBONIOSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccnc(C#N)c1 ZINC000593047860 398530104 /nfs/dbraw/zinc/53/01/04/398530104.db2.gz DESUSKUHRJQBSW-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000593047860 398530105 /nfs/dbraw/zinc/53/01/05/398530105.db2.gz DESUSKUHRJQBSW-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccccc3C#N)n2)C1 ZINC000272639792 210042221 /nfs/dbraw/zinc/04/22/21/210042221.db2.gz LLKGVDKSIAWQJB-KXPUMZMLSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccccc3C#N)n2)C1 ZINC000272639792 210042222 /nfs/dbraw/zinc/04/22/22/210042222.db2.gz LLKGVDKSIAWQJB-KXPUMZMLSA-N 1 2 324.384 2.893 20 30 DFEDLO Cn1ncc(C(F)(F)F)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000596978730 398539315 /nfs/dbraw/zinc/53/93/15/398539315.db2.gz BHSWPUVDGQRAHU-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000596978730 398539321 /nfs/dbraw/zinc/53/93/21/398539321.db2.gz BHSWPUVDGQRAHU-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO COCC[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000091675481 398540002 /nfs/dbraw/zinc/54/00/02/398540002.db2.gz NBVUOFACFNVBLQ-UHFFFAOYSA-N 1 2 300.761 2.720 20 30 DFEDLO COCC[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000091675481 398540004 /nfs/dbraw/zinc/54/00/04/398540004.db2.gz NBVUOFACFNVBLQ-UHFFFAOYSA-N 1 2 300.761 2.720 20 30 DFEDLO Cc1cccc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1C ZINC000320461481 398547266 /nfs/dbraw/zinc/54/72/66/398547266.db2.gz PHKHHOCJSNOFOH-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO CC(C)(C)CN1CCC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593127755 398553211 /nfs/dbraw/zinc/55/32/11/398553211.db2.gz VTTULUBSTWHPFL-KRWDZBQOSA-N 1 2 311.429 2.911 20 30 DFEDLO CC(C)(C)CN1CCC[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593127755 398553215 /nfs/dbraw/zinc/55/32/15/398553215.db2.gz VTTULUBSTWHPFL-KRWDZBQOSA-N 1 2 311.429 2.911 20 30 DFEDLO CCn1cc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)cn1 ZINC000589499677 398557092 /nfs/dbraw/zinc/55/70/92/398557092.db2.gz YKOJTRXIBSMXMY-UHFFFAOYSA-N 1 2 301.419 2.611 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000589510977 398558911 /nfs/dbraw/zinc/55/89/11/398558911.db2.gz ZBCSRXMPYJTJBN-UHFFFAOYSA-N 1 2 317.345 2.507 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000589536817 398559433 /nfs/dbraw/zinc/55/94/33/398559433.db2.gz YTVXCEMNCSTLBC-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000589532482 398559551 /nfs/dbraw/zinc/55/95/51/398559551.db2.gz WFRYHZNQYAKYLI-MRXNPFEDSA-N 1 2 324.384 2.848 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nnc2n1CCCCC2 ZINC000323261802 398560883 /nfs/dbraw/zinc/56/08/83/398560883.db2.gz WZQPWNODHYHPKD-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000597089965 398565415 /nfs/dbraw/zinc/56/54/15/398565415.db2.gz YRUUHJSRNGGOCL-MRXNPFEDSA-N 1 2 300.402 2.919 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069606959 398577844 /nfs/dbraw/zinc/57/78/44/398577844.db2.gz WVZUWDHUIRFHBY-UHFFFAOYSA-N 1 2 323.400 2.764 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)c1C#N ZINC000287036104 219280021 /nfs/dbraw/zinc/28/00/21/219280021.db2.gz WGEHGXPEFZKXEH-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000597180686 398582979 /nfs/dbraw/zinc/58/29/79/398582979.db2.gz XSBWHTXKPLHERD-CYBMUJFWSA-N 1 2 312.348 2.531 20 30 DFEDLO COCc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000597184420 398584153 /nfs/dbraw/zinc/58/41/53/398584153.db2.gz WDSOWFQEDWGSMR-UHFFFAOYSA-N 1 2 317.414 2.681 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000597182483 398583952 /nfs/dbraw/zinc/58/39/52/398583952.db2.gz CDOYQDOJXXLQMU-UHFFFAOYSA-N 1 2 324.453 2.826 20 30 DFEDLO N#CCC1C[NH+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000597194286 398586816 /nfs/dbraw/zinc/58/68/16/398586816.db2.gz QRYBLYOKEAPBIV-UHFFFAOYSA-N 1 2 309.163 2.523 20 30 DFEDLO N#CCC1C[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000597194349 398586372 /nfs/dbraw/zinc/58/63/72/398586372.db2.gz RUCFQCMLUBVSEA-UHFFFAOYSA-N 1 2 300.793 2.930 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000069876006 398587542 /nfs/dbraw/zinc/58/75/42/398587542.db2.gz FZPWYDJTCZHACE-CXAGYDPISA-N 1 2 305.397 2.700 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000069876006 398587547 /nfs/dbraw/zinc/58/75/47/398587547.db2.gz FZPWYDJTCZHACE-CXAGYDPISA-N 1 2 305.397 2.700 20 30 DFEDLO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c(OC)c1OC ZINC000597196526 398587617 /nfs/dbraw/zinc/58/76/17/398587617.db2.gz FGSBWTSYEMSPPR-OCCSQVGLSA-N 1 2 304.390 2.884 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000590071552 398594797 /nfs/dbraw/zinc/59/47/97/398594797.db2.gz VTYRHJVNQYOUPD-LBPRGKRZSA-N 1 2 310.357 2.522 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000072484767 398615736 /nfs/dbraw/zinc/61/57/36/398615736.db2.gz ACKKYEFQWMSEDD-UHFFFAOYSA-N 1 2 310.401 2.815 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351188675 398622140 /nfs/dbraw/zinc/62/21/40/398622140.db2.gz WPCJHWPSVMNYKA-PXAZEXFGSA-N 1 2 305.341 2.783 20 30 DFEDLO N#CC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCCC1 ZINC000593428422 398624973 /nfs/dbraw/zinc/62/49/73/398624973.db2.gz XHRCPXMTHMOFNT-CYBMUJFWSA-N 1 2 301.394 2.730 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000593450026 398633269 /nfs/dbraw/zinc/63/32/69/398633269.db2.gz DVALYIYXCMBYPR-UONOGXRCSA-N 1 2 301.390 2.568 20 30 DFEDLO C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000590587053 398635416 /nfs/dbraw/zinc/63/54/16/398635416.db2.gz VAYRWGLEHBBLEB-KOLCDFICSA-N 1 2 307.810 2.952 20 30 DFEDLO Cn1c[nH+]c2c1CCN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000365881952 398649325 /nfs/dbraw/zinc/64/93/25/398649325.db2.gz ALGXUAFZIYEZKB-UHFFFAOYSA-N 1 2 319.330 2.849 20 30 DFEDLO Cc1c(C#N)c(N2CCc3c([nH+]cn3C)C2)nc2ccccc12 ZINC000590689648 398652350 /nfs/dbraw/zinc/65/23/50/398652350.db2.gz DGHWIEZDPLAZIO-UHFFFAOYSA-N 1 2 303.369 2.711 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000593551655 398654755 /nfs/dbraw/zinc/65/47/55/398654755.db2.gz CJASSXZPTNDLHB-LSDHHAIUSA-N 1 2 310.401 2.886 20 30 DFEDLO Cc1ccccc1CCN(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000590706940 398655856 /nfs/dbraw/zinc/65/58/56/398655856.db2.gz PUDNJKPCVGFQLF-UHFFFAOYSA-N 1 2 320.400 2.727 20 30 DFEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171940559 198011893 /nfs/dbraw/zinc/01/18/93/198011893.db2.gz YGVGMEIXEUIQQJ-GOSISDBHSA-N 1 2 305.381 2.796 20 30 DFEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171940559 198011895 /nfs/dbraw/zinc/01/18/95/198011895.db2.gz YGVGMEIXEUIQQJ-GOSISDBHSA-N 1 2 305.381 2.796 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc1 ZINC000590754888 398667361 /nfs/dbraw/zinc/66/73/61/398667361.db2.gz RIHYOGKPSLAYPR-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc1 ZINC000590754888 398667366 /nfs/dbraw/zinc/66/73/66/398667366.db2.gz RIHYOGKPSLAYPR-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO COc1cccc2c1C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000590759860 398668173 /nfs/dbraw/zinc/66/81/73/398668173.db2.gz UGRWMNDZUKIKDI-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1cccc2c1C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000590759860 398668177 /nfs/dbraw/zinc/66/81/77/398668177.db2.gz UGRWMNDZUKIKDI-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597606885 398668635 /nfs/dbraw/zinc/66/86/35/398668635.db2.gz ZOHZFXNIZWXLOB-LBPRGKRZSA-N 1 2 321.384 2.599 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597606885 398668638 /nfs/dbraw/zinc/66/86/38/398668638.db2.gz ZOHZFXNIZWXLOB-LBPRGKRZSA-N 1 2 321.384 2.599 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000281350016 334976297 /nfs/dbraw/zinc/97/62/97/334976297.db2.gz NBROHZNPRTZZCG-DTWKUNHWSA-N 1 2 319.352 2.599 20 30 DFEDLO C=CCOc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000182054151 199379723 /nfs/dbraw/zinc/37/97/23/199379723.db2.gz GKGOROGDDCMHCN-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000590836185 398684672 /nfs/dbraw/zinc/68/46/72/398684672.db2.gz HRACGELXOKCPIR-XFBWCDHKSA-N 1 2 321.384 2.747 20 30 DFEDLO N#CC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1 ZINC000593787713 398687666 /nfs/dbraw/zinc/68/76/66/398687666.db2.gz ZMBPPIPELVBUFM-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cc(C)cc(C#N)c1)C2 ZINC000590858559 398688199 /nfs/dbraw/zinc/68/81/99/398688199.db2.gz IECXSINBNXPIIK-UHFFFAOYSA-N 1 2 309.373 2.728 20 30 DFEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)c1 ZINC000104716179 398689250 /nfs/dbraw/zinc/68/92/50/398689250.db2.gz IFHLOLWSXUFQIK-UHFFFAOYSA-N 1 2 324.384 2.862 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000597826908 398702148 /nfs/dbraw/zinc/70/21/48/398702148.db2.gz QOKDCGGKVNUVKT-HZPDHXFCSA-N 1 2 320.396 2.591 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590952775 398706814 /nfs/dbraw/zinc/70/68/14/398706814.db2.gz DYAIAKOWZOQAIY-CQSZACIVSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000590956131 398708111 /nfs/dbraw/zinc/70/81/11/398708111.db2.gz YSNUTQNVAWWNGR-LLVKDONJSA-N 1 2 311.288 2.670 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000590956131 398708113 /nfs/dbraw/zinc/70/81/13/398708113.db2.gz YSNUTQNVAWWNGR-LLVKDONJSA-N 1 2 311.288 2.670 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)[NH+]1CCSCC1 ZINC000590999830 398713216 /nfs/dbraw/zinc/71/32/16/398713216.db2.gz JHWAMGHRBXRUKX-NSHDSACASA-N 1 2 323.849 2.782 20 30 DFEDLO Cc1cc(NC(=O)CCCCC#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000593989637 398715387 /nfs/dbraw/zinc/71/53/87/398715387.db2.gz VUZLALUYUWCFCN-UHFFFAOYSA-N 1 2 312.377 2.610 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)cc1 ZINC000003542010 181031993 /nfs/dbraw/zinc/03/19/93/181031993.db2.gz OWDDDBJQEPRFTN-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(F)cc1 ZINC000003542010 181031995 /nfs/dbraw/zinc/03/19/95/181031995.db2.gz OWDDDBJQEPRFTN-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C1(C#N)CCCCC1 ZINC000109812275 398719283 /nfs/dbraw/zinc/71/92/83/398719283.db2.gz ICVIVSWGCMYWDR-UHFFFAOYSA-N 1 2 318.465 2.933 20 30 DFEDLO CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1(C#N)CCCCC1 ZINC000109812275 398719287 /nfs/dbraw/zinc/71/92/87/398719287.db2.gz ICVIVSWGCMYWDR-UHFFFAOYSA-N 1 2 318.465 2.933 20 30 DFEDLO CCOc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594032555 398726670 /nfs/dbraw/zinc/72/66/70/398726670.db2.gz XIOODCGDNNIHKG-UHFFFAOYSA-N 1 2 314.414 2.977 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000130304765 283045209 /nfs/dbraw/zinc/04/52/09/283045209.db2.gz ZFJBLHAXKQOEHJ-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccnc(C#N)c1)C1CCC1 ZINC000594054803 398734054 /nfs/dbraw/zinc/73/40/54/398734054.db2.gz FVYPPEOXXLTDNS-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccnc(C#N)c1)C1CCC1 ZINC000594054803 398734057 /nfs/dbraw/zinc/73/40/57/398734057.db2.gz FVYPPEOXXLTDNS-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccccc1F ZINC000591176627 398736334 /nfs/dbraw/zinc/73/63/34/398736334.db2.gz YPSJZABCFMKTLC-SWLSCSKDSA-N 1 2 322.347 2.847 20 30 DFEDLO CC[C@H](C#N)N(C)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000594088266 398740892 /nfs/dbraw/zinc/74/08/92/398740892.db2.gz LUIPCPAYRAYQEK-CVEARBPZSA-N 1 2 317.458 2.537 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278193773 283120116 /nfs/dbraw/zinc/12/01/16/283120116.db2.gz WBIMRHACVVJUQU-HUUCEWRRSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278193773 283120119 /nfs/dbraw/zinc/12/01/19/283120119.db2.gz WBIMRHACVVJUQU-HUUCEWRRSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183841681 283151095 /nfs/dbraw/zinc/15/10/95/283151095.db2.gz OBKOYJKXXPREGP-UHFFFAOYSA-N 1 2 310.376 2.805 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183841681 283151100 /nfs/dbraw/zinc/15/11/00/283151100.db2.gz OBKOYJKXXPREGP-UHFFFAOYSA-N 1 2 310.376 2.805 20 30 DFEDLO C=CC[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000047913213 398764355 /nfs/dbraw/zinc/76/43/55/398764355.db2.gz YOLUCOQNTULUFP-HNNXBMFYSA-N 1 2 312.417 2.910 20 30 DFEDLO CC(C)OCC[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000074773489 398766590 /nfs/dbraw/zinc/76/65/90/398766590.db2.gz FRZGQZLYYTZUSP-UHFFFAOYSA-N 1 2 307.825 2.759 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C#Cc2ccccc2)c1C ZINC000081616973 192303384 /nfs/dbraw/zinc/30/33/84/192303384.db2.gz BETSTYHMDKXUCK-UHFFFAOYSA-N 1 2 308.381 2.717 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594297673 398780507 /nfs/dbraw/zinc/78/05/07/398780507.db2.gz AGHPHWVRNYQNFH-HNNXBMFYSA-N 1 2 324.428 2.906 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000591808413 398789488 /nfs/dbraw/zinc/78/94/88/398789488.db2.gz ICRBINMUNMHETO-XJKSGUPXSA-N 1 2 308.385 2.537 20 30 DFEDLO Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591823049 398791822 /nfs/dbraw/zinc/79/18/22/398791822.db2.gz IIELNEWSIKRVRK-OAHLLOKOSA-N 1 2 312.373 2.662 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC2)cc1 ZINC000594423221 398797029 /nfs/dbraw/zinc/79/70/29/398797029.db2.gz QZIAYSSKQNZFHK-HNNXBMFYSA-N 1 2 320.396 2.513 20 30 DFEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCn2cc[nH+]c2C1 ZINC000360975006 283241440 /nfs/dbraw/zinc/24/14/40/283241440.db2.gz MEQWBLULYRTVHI-UHFFFAOYSA-N 1 2 309.760 2.977 20 30 DFEDLO CCN(C(=O)C[N@H+](CC)Cc1ccccc1Cl)[C@@H](C)C#N ZINC000598363520 398800374 /nfs/dbraw/zinc/80/03/74/398800374.db2.gz RALVYIRHRZULGE-ZDUSSCGKSA-N 1 2 307.825 2.922 20 30 DFEDLO CCN(C(=O)C[N@@H+](CC)Cc1ccccc1Cl)[C@@H](C)C#N ZINC000598363520 398800375 /nfs/dbraw/zinc/80/03/75/398800375.db2.gz RALVYIRHRZULGE-ZDUSSCGKSA-N 1 2 307.825 2.922 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075551462 398809980 /nfs/dbraw/zinc/80/99/80/398809980.db2.gz BYPBULDBBBYURQ-FYCOFBDGSA-N 1 2 306.369 2.701 20 30 DFEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2ncc3c(n2)CCOC3)cc1 ZINC000594514431 398814165 /nfs/dbraw/zinc/81/41/65/398814165.db2.gz XUHBZFRLUVMCNL-UHFFFAOYSA-N 1 2 322.412 2.640 20 30 DFEDLO N#CC1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCCC1 ZINC000075709487 398818274 /nfs/dbraw/zinc/81/82/74/398818274.db2.gz JPDWULMKQKLBET-UHFFFAOYSA-N 1 2 314.311 2.536 20 30 DFEDLO COc1c(C)[nH+]cnc1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000594548487 398818692 /nfs/dbraw/zinc/81/86/92/398818692.db2.gz FGSGTKUFIIFHSB-UHFFFAOYSA-N 1 2 324.384 2.713 20 30 DFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC(C)(C)C#N ZINC000598594742 398837442 /nfs/dbraw/zinc/83/74/42/398837442.db2.gz ITRHLMINGJOYPL-VIFPVBQESA-N 1 2 321.368 2.894 20 30 DFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC(C)(C)C#N ZINC000598594742 398837446 /nfs/dbraw/zinc/83/74/46/398837446.db2.gz ITRHLMINGJOYPL-VIFPVBQESA-N 1 2 321.368 2.894 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccn1 ZINC000598600271 398839383 /nfs/dbraw/zinc/83/93/83/398839383.db2.gz AGRFZTJSZSRMFG-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000598601661 398839388 /nfs/dbraw/zinc/83/93/88/398839388.db2.gz LTMZBLIKNFNJGO-INIZCTEOSA-N 1 2 324.428 2.531 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000598601661 398839389 /nfs/dbraw/zinc/83/93/89/398839389.db2.gz LTMZBLIKNFNJGO-INIZCTEOSA-N 1 2 324.428 2.531 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000052428400 398839820 /nfs/dbraw/zinc/83/98/20/398839820.db2.gz FXUZYYIYNCNICR-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO N#CCC(=O)N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000598622278 398842660 /nfs/dbraw/zinc/84/26/60/398842660.db2.gz ZWNGUXJORIMNEH-UHFFFAOYSA-N 1 2 317.776 2.644 20 30 DFEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1)C1CC1 ZINC000598649176 398847493 /nfs/dbraw/zinc/84/74/93/398847493.db2.gz JGCYQJAOCHSARW-GOEBONIOSA-N 1 2 313.392 2.598 20 30 DFEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccn1 ZINC000052832586 398852541 /nfs/dbraw/zinc/85/25/41/398852541.db2.gz HJMSGHJYYKEHSN-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccn1 ZINC000052832586 398852545 /nfs/dbraw/zinc/85/25/45/398852545.db2.gz HJMSGHJYYKEHSN-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649206 398847715 /nfs/dbraw/zinc/84/77/15/398847715.db2.gz KQYFRBDNROFJEV-GDBMZVCRSA-N 1 2 315.408 2.844 20 30 DFEDLO C[C@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000598651535 398848289 /nfs/dbraw/zinc/84/82/89/398848289.db2.gz ZYCCLSRYFUGWNJ-WCQYABFASA-N 1 2 313.392 2.741 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000598651534 398848410 /nfs/dbraw/zinc/84/84/10/398848410.db2.gz ZYCCLSRYFUGWNJ-DGCLKSJQSA-N 1 2 313.392 2.741 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180448733 199160139 /nfs/dbraw/zinc/16/01/39/199160139.db2.gz NVVNMVYPCTZECE-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO CC(C)[C@H](O)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000594991045 398887728 /nfs/dbraw/zinc/88/77/28/398887728.db2.gz YJUPGJCHWPAQNF-HOTGVXAUSA-N 1 2 301.415 2.863 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000151123103 398924082 /nfs/dbraw/zinc/92/40/82/398924082.db2.gz RINNJFISDMMXGK-GOSISDBHSA-N 1 2 314.429 2.923 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000151123103 398924084 /nfs/dbraw/zinc/92/40/84/398924084.db2.gz RINNJFISDMMXGK-GOSISDBHSA-N 1 2 314.429 2.923 20 30 DFEDLO C=CC[C@H](CC)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000282045117 334988979 /nfs/dbraw/zinc/98/89/79/334988979.db2.gz UWLHLPJHNBTIRS-AWEZNQCLSA-N 1 2 318.421 2.703 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595392421 398931538 /nfs/dbraw/zinc/93/15/38/398931538.db2.gz SCLHNYOKNSIRGV-UHFFFAOYSA-N 1 2 322.334 2.608 20 30 DFEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)Cc2ccccc21 ZINC000599188879 398937006 /nfs/dbraw/zinc/93/70/06/398937006.db2.gz VXGJPVKZMHPQMG-MRXNPFEDSA-N 1 2 307.353 2.539 20 30 DFEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000595449114 398941233 /nfs/dbraw/zinc/94/12/33/398941233.db2.gz NCTCBKUGDKUGNK-PKOBYXMFSA-N 1 2 303.365 2.847 20 30 DFEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000595449114 398941234 /nfs/dbraw/zinc/94/12/34/398941234.db2.gz NCTCBKUGDKUGNK-PKOBYXMFSA-N 1 2 303.365 2.847 20 30 DFEDLO C=CC[N@H+](CCC#N)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595500236 398951039 /nfs/dbraw/zinc/95/10/39/398951039.db2.gz CNXQVCFMJLAPPL-HNNXBMFYSA-N 1 2 301.415 2.891 20 30 DFEDLO C=CC[N@@H+](CCC#N)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595500236 398951041 /nfs/dbraw/zinc/95/10/41/398951041.db2.gz CNXQVCFMJLAPPL-HNNXBMFYSA-N 1 2 301.415 2.891 20 30 DFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC1(C#N)CC1 ZINC000599304796 398951449 /nfs/dbraw/zinc/95/14/49/398951449.db2.gz PDZGKLFAXWOXTQ-VIFPVBQESA-N 1 2 319.352 2.648 20 30 DFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)CC1(C#N)CC1 ZINC000599304796 398951452 /nfs/dbraw/zinc/95/14/52/398951452.db2.gz PDZGKLFAXWOXTQ-VIFPVBQESA-N 1 2 319.352 2.648 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1C#N ZINC000599335738 398955256 /nfs/dbraw/zinc/95/52/56/398955256.db2.gz BXIKVNWGOVFRKK-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000599335738 398955259 /nfs/dbraw/zinc/95/52/59/398955259.db2.gz BXIKVNWGOVFRKK-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000193251292 201013368 /nfs/dbraw/zinc/01/33/68/201013368.db2.gz IMOPNXUABWNSDT-CYBMUJFWSA-N 1 2 306.431 2.518 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)CCc1c[nH+]cn1C ZINC000193345066 201035287 /nfs/dbraw/zinc/03/52/87/201035287.db2.gz HQJIFOZCINGMAM-UHFFFAOYSA-N 1 2 311.389 2.685 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000613417753 398976945 /nfs/dbraw/zinc/97/69/45/398976945.db2.gz LYLBUMUWQHBHNN-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000613417753 398976947 /nfs/dbraw/zinc/97/69/47/398976947.db2.gz LYLBUMUWQHBHNN-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000613443585 398987410 /nfs/dbraw/zinc/98/74/10/398987410.db2.gz RKONSNGUFGXAJU-UHFFFAOYSA-N 1 2 312.421 2.683 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599455763 398988252 /nfs/dbraw/zinc/98/82/52/398988252.db2.gz WLGGBFUUDFGCDY-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599455763 398988254 /nfs/dbraw/zinc/98/82/54/398988254.db2.gz WLGGBFUUDFGCDY-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000595610254 398997781 /nfs/dbraw/zinc/99/77/81/398997781.db2.gz UXOCUQBBTNVBOW-AWEZNQCLSA-N 1 2 315.442 2.751 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000595610254 398997785 /nfs/dbraw/zinc/99/77/85/398997785.db2.gz UXOCUQBBTNVBOW-AWEZNQCLSA-N 1 2 315.442 2.751 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514774 399000154 /nfs/dbraw/zinc/00/01/54/399000154.db2.gz ZRTVTECOFYNKNO-ZOWXZIJZSA-N 1 2 322.355 2.995 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514774 399000158 /nfs/dbraw/zinc/00/01/58/399000158.db2.gz ZRTVTECOFYNKNO-ZOWXZIJZSA-N 1 2 322.355 2.995 20 30 DFEDLO Cn1cc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cn1 ZINC000595613341 399000740 /nfs/dbraw/zinc/00/07/40/399000740.db2.gz BHZRXAITHVNXGA-LBPRGKRZSA-N 1 2 301.419 2.669 20 30 DFEDLO Cn1cc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cn1 ZINC000595613341 399000743 /nfs/dbraw/zinc/00/07/43/399000743.db2.gz BHZRXAITHVNXGA-LBPRGKRZSA-N 1 2 301.419 2.669 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615045 399003028 /nfs/dbraw/zinc/00/30/28/399003028.db2.gz OLBCVKJTSZJEFJ-XJKSGUPXSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615045 399003033 /nfs/dbraw/zinc/00/30/33/399003033.db2.gz OLBCVKJTSZJEFJ-XJKSGUPXSA-N 1 2 301.365 2.557 20 30 DFEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595613915 399001755 /nfs/dbraw/zinc/00/17/55/399001755.db2.gz FRNIPNUOLLCSSF-AWEZNQCLSA-N 1 2 301.390 2.649 20 30 DFEDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595613915 399001761 /nfs/dbraw/zinc/00/17/61/399001761.db2.gz FRNIPNUOLLCSSF-AWEZNQCLSA-N 1 2 301.390 2.649 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595616137 399002444 /nfs/dbraw/zinc/00/24/44/399002444.db2.gz QDFSJMRWTQPQJN-LBPRGKRZSA-N 1 2 316.792 2.776 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595616137 399002448 /nfs/dbraw/zinc/00/24/48/399002448.db2.gz QDFSJMRWTQPQJN-LBPRGKRZSA-N 1 2 316.792 2.776 20 30 DFEDLO C[C@@]1(C2CC2)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000595618861 399004586 /nfs/dbraw/zinc/00/45/86/399004586.db2.gz TXNNHUBJOQTBAC-SFHVURJKSA-N 1 2 324.384 2.609 20 30 DFEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000595618861 399004588 /nfs/dbraw/zinc/00/45/88/399004588.db2.gz TXNNHUBJOQTBAC-SFHVURJKSA-N 1 2 324.384 2.609 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595621126 399006247 /nfs/dbraw/zinc/00/62/47/399006247.db2.gz UBWXUBUKLWSIRV-MRXNPFEDSA-N 1 2 320.458 2.785 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595621126 399006253 /nfs/dbraw/zinc/00/62/53/399006253.db2.gz UBWXUBUKLWSIRV-MRXNPFEDSA-N 1 2 320.458 2.785 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599546332 399009314 /nfs/dbraw/zinc/00/93/14/399009314.db2.gz YQTCYPNLJZXSTF-UXIGCNINSA-N 1 2 323.318 2.954 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595681358 399032274 /nfs/dbraw/zinc/03/22/74/399032274.db2.gz KXGRXLIZCKWAKB-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595681358 399032281 /nfs/dbraw/zinc/03/22/81/399032281.db2.gz KXGRXLIZCKWAKB-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595687383 399035426 /nfs/dbraw/zinc/03/54/26/399035426.db2.gz CBDRZAXATLZBPQ-RCBQFDQVSA-N 1 2 301.365 2.603 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000595689316 399036036 /nfs/dbraw/zinc/03/60/36/399036036.db2.gz LNNZHCBKBLBTBK-TZMCWYRMSA-N 1 2 317.345 2.553 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000595689310 399036889 /nfs/dbraw/zinc/03/68/89/399036889.db2.gz LNNZHCBKBLBTBK-GXTWGEPZSA-N 1 2 317.345 2.553 20 30 DFEDLO Cn1cc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3C#N)cs2)cn1 ZINC000595692796 399038090 /nfs/dbraw/zinc/03/80/90/399038090.db2.gz QMNXKUWPVYPWKX-SMDDNHRTSA-N 1 2 301.419 2.716 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c([N+](=O)[O-])cc1F ZINC000595694100 399038280 /nfs/dbraw/zinc/03/82/80/399038280.db2.gz LGWNHVZXNBFXLT-MFKMUULPSA-N 1 2 307.325 2.914 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000595695145 399039145 /nfs/dbraw/zinc/03/91/45/399039145.db2.gz SXTLFXNXPATICA-BPUTZDHNSA-N 1 2 315.392 2.993 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000595695157 399039852 /nfs/dbraw/zinc/03/98/52/399039852.db2.gz SXTLFXNXPATICA-NUEKZKHPSA-N 1 2 315.392 2.993 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595701614 399044124 /nfs/dbraw/zinc/04/41/24/399044124.db2.gz UBWJUWVJZVLSSA-CMPLNLGQSA-N 1 2 300.318 2.908 20 30 DFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595701543 399044240 /nfs/dbraw/zinc/04/42/40/399044240.db2.gz SNGKYFMIZQXTLB-STQMWFEESA-N 1 2 316.361 2.514 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)on1 ZINC000595704268 399046215 /nfs/dbraw/zinc/04/62/15/399046215.db2.gz RJISXGKJYWAMOT-VXGBXAGGSA-N 1 2 304.394 2.583 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000595705408 399047666 /nfs/dbraw/zinc/04/76/66/399047666.db2.gz VODSKCQEZVCYSO-ZFWWWQNUSA-N 1 2 315.421 2.609 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000599667418 399053165 /nfs/dbraw/zinc/05/31/65/399053165.db2.gz QHNJPKNEUDWDGR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000599667418 399053166 /nfs/dbraw/zinc/05/31/66/399053166.db2.gz QHNJPKNEUDWDGR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000599667128 399053791 /nfs/dbraw/zinc/05/37/91/399053791.db2.gz PRMKEMCQPPUPIG-SFHVURJKSA-N 1 2 306.365 2.831 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000599667128 399053794 /nfs/dbraw/zinc/05/37/94/399053794.db2.gz PRMKEMCQPPUPIG-SFHVURJKSA-N 1 2 306.365 2.831 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000599668760 399053871 /nfs/dbraw/zinc/05/38/71/399053871.db2.gz YRYBOMMOHAJZSM-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000599668760 399053876 /nfs/dbraw/zinc/05/38/76/399053876.db2.gz YRYBOMMOHAJZSM-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COCc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599679441 399059411 /nfs/dbraw/zinc/05/94/11/399059411.db2.gz SBOQJXPBJSZRJL-UHFFFAOYSA-N 1 2 313.426 2.914 20 30 DFEDLO COCc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599679441 399059416 /nfs/dbraw/zinc/05/94/16/399059416.db2.gz SBOQJXPBJSZRJL-UHFFFAOYSA-N 1 2 313.426 2.914 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)cc1 ZINC000275184222 212180290 /nfs/dbraw/zinc/18/02/90/212180290.db2.gz XIRYICJEFCKYQN-QGZVFWFLSA-N 1 2 323.440 2.949 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C#N ZINC000595817166 399097072 /nfs/dbraw/zinc/09/70/72/399097072.db2.gz GYWAGEOSFKSXBZ-NSHDSACASA-N 1 2 316.430 2.671 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C#N ZINC000595817166 399097078 /nfs/dbraw/zinc/09/70/78/399097078.db2.gz GYWAGEOSFKSXBZ-NSHDSACASA-N 1 2 316.430 2.671 20 30 DFEDLO C=C[C@H]([NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12)C(=O)OC ZINC000600614033 399099287 /nfs/dbraw/zinc/09/92/87/399099287.db2.gz FUSHAQFMXGNNMJ-ZDUSSCGKSA-N 1 2 310.756 2.820 20 30 DFEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000060893838 335004778 /nfs/dbraw/zinc/00/47/78/335004778.db2.gz PJHGLRHZVVHLLA-UHFFFAOYSA-N 1 2 311.307 2.879 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838418 399107044 /nfs/dbraw/zinc/10/70/44/399107044.db2.gz BROHSOJFQFIKKL-MLGOLLRUSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838418 399107046 /nfs/dbraw/zinc/10/70/46/399107046.db2.gz BROHSOJFQFIKKL-MLGOLLRUSA-N 1 2 305.809 2.580 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845822 399111048 /nfs/dbraw/zinc/11/10/48/399111048.db2.gz RZIKFQWVHWUDMZ-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845822 399111051 /nfs/dbraw/zinc/11/10/51/399111051.db2.gz RZIKFQWVHWUDMZ-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1[nH+]ccn1C ZINC000595844147 399111399 /nfs/dbraw/zinc/11/13/99/399111399.db2.gz APCQTHMQQNAZOE-LRDDRELGSA-N 1 2 323.400 2.730 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000600677471 399115636 /nfs/dbraw/zinc/11/56/36/399115636.db2.gz FEAAFLQYEMAXJA-UHFFFAOYSA-N 1 2 322.412 2.506 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599948720 399116745 /nfs/dbraw/zinc/11/67/45/399116745.db2.gz SDNMAFDKSCQGJC-DLBZAZTESA-N 1 2 322.412 2.697 20 30 DFEDLO Cc1[nH+]cn(-c2ccc(NC[C@@H](O)CC3(C#N)CC3)cc2)c1C ZINC000600736513 399129679 /nfs/dbraw/zinc/12/96/79/399129679.db2.gz BATWKGVPWAVXFT-KRWDZBQOSA-N 1 2 310.401 2.956 20 30 DFEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000179902366 399131709 /nfs/dbraw/zinc/13/17/09/399131709.db2.gz MAMYABYRSGUISY-SJKOYZFVSA-N 1 2 321.396 2.539 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000180439856 399134009 /nfs/dbraw/zinc/13/40/09/399134009.db2.gz JIYYHCRHSDIOHH-CQSZACIVSA-N 1 2 300.406 2.921 20 30 DFEDLO Cc1[nH]c(CN2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000600118590 399142476 /nfs/dbraw/zinc/14/24/76/399142476.db2.gz YZBDQECXCFCXBF-UHFFFAOYSA-N 1 2 310.401 2.942 20 30 DFEDLO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000600118590 399142482 /nfs/dbraw/zinc/14/24/82/399142482.db2.gz YZBDQECXCFCXBF-UHFFFAOYSA-N 1 2 310.401 2.942 20 30 DFEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)CCc1ccccc1 ZINC000182444673 399144038 /nfs/dbraw/zinc/14/40/38/399144038.db2.gz GHIIBBLZIXBCPZ-LJQANCHMSA-N 1 2 309.413 2.791 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)CCc1ccccc1 ZINC000182444673 399144041 /nfs/dbraw/zinc/14/40/41/399144041.db2.gz GHIIBBLZIXBCPZ-LJQANCHMSA-N 1 2 309.413 2.791 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000264614679 204030060 /nfs/dbraw/zinc/03/00/60/204030060.db2.gz GNMUDQKLNJEUDA-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1ccc(CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)c(F)c1 ZINC000618567710 399161706 /nfs/dbraw/zinc/16/17/06/399161706.db2.gz CCHBJFXOXZKCQF-INIZCTEOSA-N 1 2 307.332 2.695 20 30 DFEDLO CSCCCCCNc1[nH+]cnc2c1cnn2CCC#N ZINC000614149495 399164315 /nfs/dbraw/zinc/16/43/15/399164315.db2.gz RYIZOHWOIJHNPX-UHFFFAOYSA-N 1 2 304.423 2.685 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176794 399170231 /nfs/dbraw/zinc/17/02/31/399170231.db2.gz ILGRBUMAOQYPNL-MRXNPFEDSA-N 1 2 309.417 2.953 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176794 399170233 /nfs/dbraw/zinc/17/02/33/399170233.db2.gz ILGRBUMAOQYPNL-MRXNPFEDSA-N 1 2 309.417 2.953 20 30 DFEDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596111988 399177322 /nfs/dbraw/zinc/17/73/22/399177322.db2.gz GOKIMGQUYFQLNQ-CQSZACIVSA-N 1 2 311.345 2.813 20 30 DFEDLO C=CCSCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000195163382 399183311 /nfs/dbraw/zinc/18/33/11/399183311.db2.gz AIYBXRALVQDOEV-UHFFFAOYSA-N 1 2 323.462 2.768 20 30 DFEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000063508396 399193215 /nfs/dbraw/zinc/19/32/15/399193215.db2.gz CBSHZXYQUPTLJL-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C[C@H]1CCN(c2nc3ncccc3cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000596157856 399195844 /nfs/dbraw/zinc/19/58/44/399195844.db2.gz IDZWPTRPOYRARI-BBRMVZONSA-N 1 2 318.384 2.785 20 30 DFEDLO CC[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)(C)C ZINC000601023668 399205029 /nfs/dbraw/zinc/20/50/29/399205029.db2.gz JADYCHGKSBAJQM-MRXNPFEDSA-N 1 2 323.481 2.523 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000016591460 182050929 /nfs/dbraw/zinc/05/09/29/182050929.db2.gz ZPHFVDSTQZJWHG-LBPRGKRZSA-N 1 2 311.307 2.771 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000016591460 182050930 /nfs/dbraw/zinc/05/09/30/182050930.db2.gz ZPHFVDSTQZJWHG-LBPRGKRZSA-N 1 2 311.307 2.771 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000614406155 399228171 /nfs/dbraw/zinc/22/81/71/399228171.db2.gz SIOFXEGTKRVQJK-UHFFFAOYSA-N 1 2 305.381 2.716 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000614406155 399228173 /nfs/dbraw/zinc/22/81/73/399228173.db2.gz SIOFXEGTKRVQJK-UHFFFAOYSA-N 1 2 305.381 2.716 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)nc(C3CC3)n2)c1C ZINC000601109136 399229826 /nfs/dbraw/zinc/22/98/26/399229826.db2.gz RPAVCJGMWDXACA-UHFFFAOYSA-N 1 2 323.400 2.883 20 30 DFEDLO N#CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000022859841 182337490 /nfs/dbraw/zinc/33/74/90/182337490.db2.gz PCYQNVFANGLXGM-UHFFFAOYSA-N 1 2 313.430 2.538 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2cc(C#N)nc(C3CC3)n2)CC1(C)C ZINC000601170358 399246829 /nfs/dbraw/zinc/24/68/29/399246829.db2.gz PFJPWQVPGKGGCG-AWEZNQCLSA-N 1 2 308.389 2.547 20 30 DFEDLO N#Cc1cnnc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000601186943 399250575 /nfs/dbraw/zinc/25/05/75/399250575.db2.gz HNKJPWFMPNFZMD-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1oncc1C(=O)OC ZINC000286136181 335032749 /nfs/dbraw/zinc/03/27/49/335032749.db2.gz WQNHWYAHESWRCC-UHFFFAOYSA-N 1 2 300.358 2.692 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1oncc1C(=O)OC ZINC000286136181 335032750 /nfs/dbraw/zinc/03/27/50/335032750.db2.gz WQNHWYAHESWRCC-UHFFFAOYSA-N 1 2 300.358 2.692 20 30 DFEDLO C#Cc1cccc(NC(=O)CN(C)c2cc[nH+]c(C(C)C)n2)c1 ZINC000135468614 335034186 /nfs/dbraw/zinc/03/41/86/335034186.db2.gz YSJVSKZEWGXSPA-UHFFFAOYSA-N 1 2 308.385 2.656 20 30 DFEDLO N#Cc1ncccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239819 399262420 /nfs/dbraw/zinc/26/24/20/399262420.db2.gz CVOPQYNZJUAFDY-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO N#Cc1ccncc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240691 399262531 /nfs/dbraw/zinc/26/25/31/399262531.db2.gz NKGZSFUALGNWAS-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO C[C@H](c1cnn(C2CCCC2)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601315852 399275805 /nfs/dbraw/zinc/27/58/05/399275805.db2.gz DPVIHKDINQKOOR-OAHLLOKOSA-N 1 2 301.438 2.590 20 30 DFEDLO C=CCC1(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000619111399 399297140 /nfs/dbraw/zinc/29/71/40/399297140.db2.gz ZXCHWIPHRUNVFH-JKSUJKDBSA-N 1 2 308.466 2.881 20 30 DFEDLO C=CCC1(NC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000619111399 399297141 /nfs/dbraw/zinc/29/71/41/399297141.db2.gz ZXCHWIPHRUNVFH-JKSUJKDBSA-N 1 2 308.466 2.881 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609169086 399307696 /nfs/dbraw/zinc/30/76/96/399307696.db2.gz NTHKNEUNBFMZNT-UHFFFAOYSA-N 1 2 306.325 2.821 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609166256 399307837 /nfs/dbraw/zinc/30/78/37/399307837.db2.gz NGKQJEXAIJAKEU-UHFFFAOYSA-N 1 2 319.368 2.878 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccccc1C#N)C2 ZINC000609313605 399313597 /nfs/dbraw/zinc/31/35/97/399313597.db2.gz GGAXMLLUBJTOFJ-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccccc1C#N)C2 ZINC000609313605 399313599 /nfs/dbraw/zinc/31/35/99/399313599.db2.gz GGAXMLLUBJTOFJ-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO Cc1nc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cs1 ZINC000609350577 399315623 /nfs/dbraw/zinc/31/56/23/399315623.db2.gz BCFMGNDKUJMPJP-SECBINFHSA-N 1 2 313.390 2.678 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540130 399321908 /nfs/dbraw/zinc/32/19/08/399321908.db2.gz QSIWUNJVNBXYTG-GFCCVEGCSA-N 1 2 301.371 2.641 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540130 399321912 /nfs/dbraw/zinc/32/19/12/399321912.db2.gz QSIWUNJVNBXYTG-GFCCVEGCSA-N 1 2 301.371 2.641 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)c(C#N)c1C ZINC000609540401 399322490 /nfs/dbraw/zinc/32/24/90/399322490.db2.gz UYSOXQIQCRGNTF-ZDUSSCGKSA-N 1 2 313.357 2.789 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c(C#N)c1C ZINC000609540401 399322491 /nfs/dbraw/zinc/32/24/91/399322491.db2.gz UYSOXQIQCRGNTF-ZDUSSCGKSA-N 1 2 313.357 2.789 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000287105287 335040564 /nfs/dbraw/zinc/04/05/64/335040564.db2.gz WFAXGZNVLGOARX-OAHLLOKOSA-N 1 2 320.437 2.588 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc3ccccc3o2)C(N)=O)cc1 ZINC000609676535 399329783 /nfs/dbraw/zinc/32/97/83/399329783.db2.gz MTJKIKKBDIMUSK-KRWDZBQOSA-N 1 2 305.337 2.621 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc3ccccc3o2)C(N)=O)cc1 ZINC000609676536 399329785 /nfs/dbraw/zinc/32/97/85/399329785.db2.gz MTJKIKKBDIMUSK-QGZVFWFLSA-N 1 2 305.337 2.621 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004003 399338862 /nfs/dbraw/zinc/33/88/62/399338862.db2.gz YAYKGBWFDJJAKJ-ACJLOTCBSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004003 399338864 /nfs/dbraw/zinc/33/88/64/399338864.db2.gz YAYKGBWFDJJAKJ-ACJLOTCBSA-N 1 2 317.408 2.799 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623254606 399347729 /nfs/dbraw/zinc/34/77/29/399347729.db2.gz LYMKDHSDHKBOLR-ZDUSSCGKSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623254606 399347731 /nfs/dbraw/zinc/34/77/31/399347731.db2.gz LYMKDHSDHKBOLR-ZDUSSCGKSA-N 1 2 314.198 2.883 20 30 DFEDLO C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000610349977 399359554 /nfs/dbraw/zinc/35/95/54/399359554.db2.gz IFYRWVLJAJDRFF-ZDUSSCGKSA-N 1 2 323.400 2.651 20 30 DFEDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(C#N)c1 ZINC000610345014 399358461 /nfs/dbraw/zinc/35/84/61/399358461.db2.gz QBRXHBUFXGHGIN-CQSZACIVSA-N 1 2 303.369 2.990 20 30 DFEDLO N#Cc1cccc(Oc2ccc(NC(=O)Cn3cc[nH+]c3)cn2)c1 ZINC000610424011 399366394 /nfs/dbraw/zinc/36/63/94/399366394.db2.gz QLNIHJRNWRRPAM-UHFFFAOYSA-N 1 2 319.324 2.581 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000601942686 399364682 /nfs/dbraw/zinc/36/46/82/399364682.db2.gz RRNPDKFCJXVIPI-MQBCKMQZSA-N 1 2 316.401 2.829 20 30 DFEDLO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000619620592 399368558 /nfs/dbraw/zinc/36/85/58/399368558.db2.gz RPLUQSSNQJUVLE-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000619620592 399368561 /nfs/dbraw/zinc/36/85/61/399368561.db2.gz RPLUQSSNQJUVLE-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(Cc3ccccc3C#N)CC2)s1 ZINC000105813687 194134497 /nfs/dbraw/zinc/13/44/97/194134497.db2.gz AQNQOUQRAGTLKJ-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000619620593 399368768 /nfs/dbraw/zinc/36/87/68/399368768.db2.gz RPLUQSSNQJUVLE-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000619620593 399368770 /nfs/dbraw/zinc/36/87/70/399368770.db2.gz RPLUQSSNQJUVLE-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601969527 399371631 /nfs/dbraw/zinc/37/16/31/399371631.db2.gz USGWQFGZIPTNSS-SMDDNHRTSA-N 1 2 311.307 2.772 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000610492398 399373195 /nfs/dbraw/zinc/37/31/95/399373195.db2.gz MGLRYQLSPWULDL-UHFFFAOYSA-N 1 2 311.389 2.996 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505676 399375220 /nfs/dbraw/zinc/37/52/20/399375220.db2.gz RICUMYAXYUUSAR-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505676 399375222 /nfs/dbraw/zinc/37/52/22/399375222.db2.gz RICUMYAXYUUSAR-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]2c2cccc(F)c2)CCCCC1 ZINC000610504975 399374526 /nfs/dbraw/zinc/37/45/26/399374526.db2.gz PCGSUDOPEROXSF-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)CCCCC1 ZINC000610504975 399374530 /nfs/dbraw/zinc/37/45/30/399374530.db2.gz PCGSUDOPEROXSF-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO C=C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)C(=O)OC ZINC000619704249 399380918 /nfs/dbraw/zinc/38/09/18/399380918.db2.gz ZESVELSQVHHZFT-AWEZNQCLSA-N 1 2 306.793 2.691 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000619716253 399381399 /nfs/dbraw/zinc/38/13/99/399381399.db2.gz CVRPIGPQRKFABM-CQSZACIVSA-N 1 2 311.328 2.536 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610584890 399383746 /nfs/dbraw/zinc/38/37/46/399383746.db2.gz IEYABGRXNPNCAG-UHFFFAOYSA-N 1 2 324.359 2.835 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000615798678 399384399 /nfs/dbraw/zinc/38/43/99/399384399.db2.gz KSCOWJOKOUGJLL-JTQLQIEISA-N 1 2 300.271 2.826 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000615798678 399384403 /nfs/dbraw/zinc/38/44/03/399384403.db2.gz KSCOWJOKOUGJLL-JTQLQIEISA-N 1 2 300.271 2.826 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000615798685 399384435 /nfs/dbraw/zinc/38/44/35/399384435.db2.gz KSCOWJOKOUGJLL-SNVBAGLBSA-N 1 2 300.271 2.826 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000615798685 399384438 /nfs/dbraw/zinc/38/44/38/399384438.db2.gz KSCOWJOKOUGJLL-SNVBAGLBSA-N 1 2 300.271 2.826 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1ccccc1=O ZINC000610604066 399386116 /nfs/dbraw/zinc/38/61/16/399386116.db2.gz PILJXSQIOUWHMN-MSOLQXFVSA-N 1 2 307.397 2.620 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccccc1=O ZINC000610604066 399386120 /nfs/dbraw/zinc/38/61/20/399386120.db2.gz PILJXSQIOUWHMN-MSOLQXFVSA-N 1 2 307.397 2.620 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602055366 399390284 /nfs/dbraw/zinc/39/02/84/399390284.db2.gz ZLYKKTCNFNPISB-ZDUSSCGKSA-N 1 2 322.290 2.565 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602090534 399393625 /nfs/dbraw/zinc/39/36/25/399393625.db2.gz CIAWKBZAEJELBP-GFCCVEGCSA-N 1 2 314.311 2.529 20 30 DFEDLO CCc1c[nH]c(CC(=O)N(CCC#N)c2ccc(F)cc2)[nH+]1 ZINC000602096536 399394102 /nfs/dbraw/zinc/39/41/02/399394102.db2.gz LWAKZEULVIQPBV-UHFFFAOYSA-N 1 2 300.337 2.601 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602106868 399395361 /nfs/dbraw/zinc/39/53/61/399395361.db2.gz LWBWTBLQARFNHU-YFHUEUNASA-N 1 2 320.396 2.812 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602106868 399395365 /nfs/dbraw/zinc/39/53/65/399395365.db2.gz LWBWTBLQARFNHU-YFHUEUNASA-N 1 2 320.396 2.812 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602106866 399395556 /nfs/dbraw/zinc/39/55/56/399395556.db2.gz LWBWTBLQARFNHU-KONPQCLYSA-N 1 2 320.396 2.812 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602106866 399395558 /nfs/dbraw/zinc/39/55/58/399395558.db2.gz LWBWTBLQARFNHU-KONPQCLYSA-N 1 2 320.396 2.812 20 30 DFEDLO C=C[C@@H](NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1)C(=O)OC ZINC000619856129 399395813 /nfs/dbraw/zinc/39/58/13/399395813.db2.gz SWKWZWGYFBODMW-CQSZACIVSA-N 1 2 313.401 2.751 20 30 DFEDLO N#CCC1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602132118 399399488 /nfs/dbraw/zinc/39/94/88/399399488.db2.gz XUPIJZOSWQCSEU-GFCCVEGCSA-N 1 2 314.311 2.529 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602166630 399403495 /nfs/dbraw/zinc/40/34/95/399403495.db2.gz XSILUWIXANTXGC-BZUAXINKSA-N 1 2 306.369 2.579 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602166630 399403499 /nfs/dbraw/zinc/40/34/99/399403499.db2.gz XSILUWIXANTXGC-BZUAXINKSA-N 1 2 306.369 2.579 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000623497142 399402819 /nfs/dbraw/zinc/40/28/19/399402819.db2.gz ZNAAKGOKQNFMBU-HNNXBMFYSA-N 1 2 310.401 2.980 20 30 DFEDLO CC(C)C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)n1cc[nH+]c1 ZINC000602172792 399404879 /nfs/dbraw/zinc/40/48/79/399404879.db2.gz BKMHTEDEJNDZSV-KRWDZBQOSA-N 1 2 308.385 2.884 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602178227 399405830 /nfs/dbraw/zinc/40/58/30/399405830.db2.gz MCWHJVJDFRFJHS-NEPJUHHUSA-N 1 2 314.311 2.529 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602178230 399406023 /nfs/dbraw/zinc/40/60/23/399406023.db2.gz MCWHJVJDFRFJHS-VXGBXAGGSA-N 1 2 314.311 2.529 20 30 DFEDLO Cc1ccc2c(c1)[C@@H](Nc1[nH+]cnc3c1cnn3CCC#N)CO2 ZINC000610786822 399406076 /nfs/dbraw/zinc/40/60/76/399406076.db2.gz KJIBTWSXVJKHPS-AWEZNQCLSA-N 1 2 320.356 2.594 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610909023 399417903 /nfs/dbraw/zinc/41/79/03/399417903.db2.gz FUDSDWHKVYEEJJ-UHFFFAOYSA-N 1 2 318.384 2.951 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000623575763 399420010 /nfs/dbraw/zinc/42/00/10/399420010.db2.gz OHSRWUINIRESAD-LLVKDONJSA-N 1 2 316.327 2.553 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000602334470 399426380 /nfs/dbraw/zinc/42/63/80/399426380.db2.gz RXOMQRQCHHEKMG-INIZCTEOSA-N 1 2 319.792 2.589 20 30 DFEDLO COc1cc(C)cc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000611030643 399429591 /nfs/dbraw/zinc/42/95/91/399429591.db2.gz VUAXDLCSMLHLDI-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO N#Cc1cc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000611093313 399433677 /nfs/dbraw/zinc/43/36/77/399433677.db2.gz YEERJSNEJFDIRZ-UHFFFAOYSA-N 1 2 323.183 2.882 20 30 DFEDLO CC(C)CSCCNc1[nH+]cnc2c1cnn2CCC#N ZINC000611116405 399434776 /nfs/dbraw/zinc/43/47/76/399434776.db2.gz IXSWEOIMRRUMPV-UHFFFAOYSA-N 1 2 304.423 2.541 20 30 DFEDLO N#CCCN1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000611174912 399441193 /nfs/dbraw/zinc/44/11/93/399441193.db2.gz PGDLZVPSLKCQIJ-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO N#CCCN1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000611175377 399441235 /nfs/dbraw/zinc/44/12/35/399441235.db2.gz AKJXXACOJQVLHO-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3ccc(CC#N)cc3)[nH+]c12 ZINC000611152128 399439500 /nfs/dbraw/zinc/43/95/00/399439500.db2.gz GNINCFAUPZYFQO-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000602438254 399444025 /nfs/dbraw/zinc/44/40/25/399444025.db2.gz PFZPBTHRSWUVOS-GOSISDBHSA-N 1 2 321.428 2.565 20 30 DFEDLO CC[C@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)OC ZINC000602429894 399441617 /nfs/dbraw/zinc/44/16/17/399441617.db2.gz ZODPPJIQVXQDOG-QZTJIDSGSA-N 1 2 301.434 2.511 20 30 DFEDLO CC[C@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)OC ZINC000602429894 399441618 /nfs/dbraw/zinc/44/16/18/399441618.db2.gz ZODPPJIQVXQDOG-QZTJIDSGSA-N 1 2 301.434 2.511 20 30 DFEDLO Cc1ccc(-c2cc(C[NH+]3CCN(CCC#N)CC3)on2)cc1 ZINC000611175340 399441675 /nfs/dbraw/zinc/44/16/75/399441675.db2.gz DWJBHXKRMGVJBI-UHFFFAOYSA-N 1 2 310.401 2.681 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000611253801 399451818 /nfs/dbraw/zinc/45/18/18/399451818.db2.gz FYSJBJAUALENCD-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000611253801 399451821 /nfs/dbraw/zinc/45/18/21/399451821.db2.gz FYSJBJAUALENCD-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO CCC(CC)C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611254877 399451943 /nfs/dbraw/zinc/45/19/43/399451943.db2.gz VHYLYRLNCZNICL-UHFFFAOYSA-N 1 2 305.447 2.700 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](C)CCC#N ZINC000602472315 399454233 /nfs/dbraw/zinc/45/42/33/399454233.db2.gz DWMUJATZFUZGFR-GFCCVEGCSA-N 1 2 310.344 2.880 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@H](C)CCC#N ZINC000602472315 399454235 /nfs/dbraw/zinc/45/42/35/399454235.db2.gz DWMUJATZFUZGFR-GFCCVEGCSA-N 1 2 310.344 2.880 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2cccnc2OC2CCCC2)n1 ZINC000602508663 399463309 /nfs/dbraw/zinc/46/33/09/399463309.db2.gz DBFRFROPVXPPDZ-UHFFFAOYSA-N 1 2 308.385 2.959 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)n1 ZINC000602510512 399464370 /nfs/dbraw/zinc/46/43/70/399464370.db2.gz XQFPHZMKDXJWLQ-UHFFFAOYSA-N 1 2 322.290 2.579 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000611346954 399465093 /nfs/dbraw/zinc/46/50/93/399465093.db2.gz TXGPXDUOPYXOPK-AWEZNQCLSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000611346954 399465095 /nfs/dbraw/zinc/46/50/95/399465095.db2.gz TXGPXDUOPYXOPK-AWEZNQCLSA-N 1 2 310.401 2.663 20 30 DFEDLO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](CC3(C#N)CC3)C2)o1 ZINC000611429966 399475612 /nfs/dbraw/zinc/47/56/12/399475612.db2.gz KRMYFILSRSTGRX-AWEZNQCLSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CC3(C#N)CC3)C2)o1 ZINC000611429966 399475613 /nfs/dbraw/zinc/47/56/13/399475613.db2.gz KRMYFILSRSTGRX-AWEZNQCLSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(CC3(C#N)CC3)C2)o1 ZINC000611429966 399475615 /nfs/dbraw/zinc/47/56/15/399475615.db2.gz KRMYFILSRSTGRX-AWEZNQCLSA-N 1 2 302.422 2.608 20 30 DFEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(CC3(C#N)CC3)C2)o1 ZINC000611429966 399475616 /nfs/dbraw/zinc/47/56/16/399475616.db2.gz KRMYFILSRSTGRX-AWEZNQCLSA-N 1 2 302.422 2.608 20 30 DFEDLO COc1nsc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1Br ZINC000602606573 399488433 /nfs/dbraw/zinc/48/84/33/399488433.db2.gz AZJUHMRTDXCQTP-SFYZADRCSA-N 1 2 316.224 2.696 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C#N)cc1F ZINC000611586112 399497352 /nfs/dbraw/zinc/49/73/52/399497352.db2.gz AGOFLUBNNXMXRS-LBPRGKRZSA-N 1 2 313.380 2.866 20 30 DFEDLO CN(C)C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602649989 399502098 /nfs/dbraw/zinc/50/20/98/399502098.db2.gz BCAOFNKUGHMLSF-QGZVFWFLSA-N 1 2 314.820 2.999 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)OCC ZINC000270076592 208134173 /nfs/dbraw/zinc/13/41/73/208134173.db2.gz YYAXCZRBUNNHPS-MRXNPFEDSA-N 1 2 317.433 2.669 20 30 DFEDLO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c(C(=O)OC(C)(C)C)n1 ZINC000602705553 399530083 /nfs/dbraw/zinc/53/00/83/399530083.db2.gz BBVVMJVVGVMEHC-TZMCWYRMSA-N 1 2 318.421 2.547 20 30 DFEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1Cn1cccn1 ZINC000602719205 399537712 /nfs/dbraw/zinc/53/77/12/399537712.db2.gz VKLRPQIXVZVICN-GOSISDBHSA-N 1 2 310.401 2.676 20 30 DFEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1Cn1cccn1 ZINC000602719205 399537716 /nfs/dbraw/zinc/53/77/16/399537716.db2.gz VKLRPQIXVZVICN-GOSISDBHSA-N 1 2 310.401 2.676 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000602747622 399554769 /nfs/dbraw/zinc/55/47/69/399554769.db2.gz FBQXXCQWYLZJPG-UHFFFAOYSA-N 1 2 316.355 2.544 20 30 DFEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000602748910 399555264 /nfs/dbraw/zinc/55/52/64/399555264.db2.gz WHMJSVPKPZHNMO-UHFFFAOYSA-N 1 2 323.444 2.520 20 30 DFEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000602770485 399564738 /nfs/dbraw/zinc/56/47/38/399564738.db2.gz SKEVNSQLONODGO-UHFFFAOYSA-N 1 2 322.412 2.620 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602779586 399568462 /nfs/dbraw/zinc/56/84/62/399568462.db2.gz JEARAXOZWBMBQS-INIZCTEOSA-N 1 2 300.402 2.786 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602779586 399568468 /nfs/dbraw/zinc/56/84/68/399568468.db2.gz JEARAXOZWBMBQS-INIZCTEOSA-N 1 2 300.402 2.786 20 30 DFEDLO C#CCOc1ccccc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000288425060 335052625 /nfs/dbraw/zinc/05/26/25/335052625.db2.gz KDILZTUHMRIDDV-UHFFFAOYSA-N 1 2 303.312 2.716 20 30 DFEDLO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000156769930 197139676 /nfs/dbraw/zinc/13/96/76/197139676.db2.gz JGVVCIMAYSUMHS-OAHLLOKOSA-N 1 2 305.374 2.585 20 30 DFEDLO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000156769930 197139678 /nfs/dbraw/zinc/13/96/78/197139678.db2.gz JGVVCIMAYSUMHS-OAHLLOKOSA-N 1 2 305.374 2.585 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166830 399596846 /nfs/dbraw/zinc/59/68/46/399596846.db2.gz RWNDOTOFCNITIM-WMZOPIPTSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166830 399596852 /nfs/dbraw/zinc/59/68/52/399596852.db2.gz RWNDOTOFCNITIM-WMZOPIPTSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@H]1C[NH+](Cc2coc(-c3cccs3)n2)C[C@H](C)N1CC#N ZINC000602856144 399605350 /nfs/dbraw/zinc/60/53/50/399605350.db2.gz JBKAUXARZPQQOZ-STQMWFEESA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@H]1C[NH+](Cc2ncc(-c3ccccc3)o2)C[C@H](C)N1CC#N ZINC000602858039 399604788 /nfs/dbraw/zinc/60/47/88/399604788.db2.gz XXHWGVMSCQACCV-GJZGRUSLSA-N 1 2 310.401 2.760 20 30 DFEDLO CCCCc1nc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cs1 ZINC000602858204 399605022 /nfs/dbraw/zinc/60/50/22/399605022.db2.gz PZOFJFFKRHWSBS-ZIAGYGMSSA-N 1 2 306.479 2.904 20 30 DFEDLO C[C@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000602860960 399606415 /nfs/dbraw/zinc/60/64/15/399606415.db2.gz FAVVRURKEAMNMV-SECBINFHSA-N 1 2 311.179 2.612 20 30 DFEDLO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C)CC#N)c2)cs1 ZINC000602867906 399608935 /nfs/dbraw/zinc/60/89/35/399608935.db2.gz FODHODNUFARDCK-LLVKDONJSA-N 1 2 314.414 2.949 20 30 DFEDLO C=CCCC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000620858588 399617149 /nfs/dbraw/zinc/61/71/49/399617149.db2.gz KFFZJZCLTNBARM-QGZVFWFLSA-N 1 2 316.445 2.748 20 30 DFEDLO C=CCCC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000620858588 399617152 /nfs/dbraw/zinc/61/71/52/399617152.db2.gz KFFZJZCLTNBARM-QGZVFWFLSA-N 1 2 316.445 2.748 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602895504 399618116 /nfs/dbraw/zinc/61/81/16/399618116.db2.gz PGJVLMFWVNYXRZ-LBPRGKRZSA-N 1 2 311.389 2.887 20 30 DFEDLO CCc1nnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602900022 399619533 /nfs/dbraw/zinc/61/95/33/399619533.db2.gz WZOYOAUVKSSYKY-UHFFFAOYSA-N 1 2 311.389 2.580 20 30 DFEDLO CCc1nnc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602908042 399621898 /nfs/dbraw/zinc/62/18/98/399621898.db2.gz YCFFJGYVSREPQE-GFCCVEGCSA-N 1 2 310.405 2.574 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC000602917562 399625678 /nfs/dbraw/zinc/62/56/78/399625678.db2.gz NKFCAALMIYCBSG-UHFFFAOYSA-N 1 2 308.385 2.646 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC000602917562 399625682 /nfs/dbraw/zinc/62/56/82/399625682.db2.gz NKFCAALMIYCBSG-UHFFFAOYSA-N 1 2 308.385 2.646 20 30 DFEDLO CN(C)c1cc[nH+]c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000612346133 399629206 /nfs/dbraw/zinc/62/92/06/399629206.db2.gz IODYHVADHHQTBK-UHFFFAOYSA-N 1 2 302.284 2.550 20 30 DFEDLO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]CCCC(C)(C)C#N ZINC000602943563 399635566 /nfs/dbraw/zinc/63/55/66/399635566.db2.gz LONOLQYJCHJZGN-MRXNPFEDSA-N 1 2 318.417 2.699 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1C#N ZINC000603028914 399660578 /nfs/dbraw/zinc/66/05/78/399660578.db2.gz IDUZFOADYHTIAV-HOCLYGCPSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1C#N ZINC000603028914 399660580 /nfs/dbraw/zinc/66/05/80/399660580.db2.gz IDUZFOADYHTIAV-HOCLYGCPSA-N 1 2 324.428 2.645 20 30 DFEDLO N#CC1(NC(=O)C[NH2+][C@@H](CF)c2ccc(F)cc2)CCCCC1 ZINC000603024256 399660714 /nfs/dbraw/zinc/66/07/14/399660714.db2.gz XFOPHHMDFKXHBU-HNNXBMFYSA-N 1 2 321.371 2.769 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000603078736 399674756 /nfs/dbraw/zinc/67/47/56/399674756.db2.gz NRSZXMNGTGXXMQ-OAHLLOKOSA-N 1 2 313.336 2.763 20 30 DFEDLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976838 399644950 /nfs/dbraw/zinc/64/49/50/399644950.db2.gz UGCGCAHMXIQAPV-SJLPKXTDSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976838 399644957 /nfs/dbraw/zinc/64/49/57/399644957.db2.gz UGCGCAHMXIQAPV-SJLPKXTDSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602976800 399645601 /nfs/dbraw/zinc/64/56/01/399645601.db2.gz SYXNOCNXBFBKBZ-CGTJXYLNSA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602976800 399645602 /nfs/dbraw/zinc/64/56/02/399645602.db2.gz SYXNOCNXBFBKBZ-CGTJXYLNSA-N 1 2 311.429 2.804 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000602977908 399646569 /nfs/dbraw/zinc/64/65/69/399646569.db2.gz ISLZLFAGEMAVIE-DOMZBBRYSA-N 1 2 305.447 2.551 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000602977908 399646571 /nfs/dbraw/zinc/64/65/71/399646571.db2.gz ISLZLFAGEMAVIE-DOMZBBRYSA-N 1 2 305.447 2.551 20 30 DFEDLO C[S@](=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000121711984 195332975 /nfs/dbraw/zinc/33/29/75/195332975.db2.gz HOEISOKDSOLEDS-JOCHJYFZSA-N 1 2 310.382 2.555 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1 ZINC000121800274 195350394 /nfs/dbraw/zinc/35/03/94/195350394.db2.gz NNQJFCHXXFAYPC-UHFFFAOYSA-N 1 2 322.368 2.631 20 30 DFEDLO C=CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)COC ZINC000617577810 399746116 /nfs/dbraw/zinc/74/61/16/399746116.db2.gz WIDAQITVVOTTRQ-HNNXBMFYSA-N 1 2 313.401 2.595 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCCCC1 ZINC000617719025 399783196 /nfs/dbraw/zinc/78/31/96/399783196.db2.gz GRGQQVUUGWHGMQ-HOTGVXAUSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCCCC1 ZINC000617719025 399783200 /nfs/dbraw/zinc/78/32/00/399783200.db2.gz GRGQQVUUGWHGMQ-HOTGVXAUSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617725006 399784703 /nfs/dbraw/zinc/78/47/03/399784703.db2.gz FUIBUTNBHCHLGT-JZXOWHBKSA-N 1 2 316.445 2.572 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617725006 399784711 /nfs/dbraw/zinc/78/47/11/399784711.db2.gz FUIBUTNBHCHLGT-JZXOWHBKSA-N 1 2 316.445 2.572 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621406106 399786024 /nfs/dbraw/zinc/78/60/24/399786024.db2.gz LXIZCFMLIFGBGO-HNNXBMFYSA-N 1 2 300.393 2.991 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000613103020 399793925 /nfs/dbraw/zinc/79/39/25/399793925.db2.gz GLVKKCSJSZERSP-KRWDZBQOSA-N 1 2 301.390 2.746 20 30 DFEDLO Cc1ccc(C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C2CC2)o1 ZINC000603890717 399814329 /nfs/dbraw/zinc/81/43/29/399814329.db2.gz KKZAJGZCKNPORJ-UHFFFAOYSA-N 1 2 323.396 2.741 20 30 DFEDLO Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C2CC2)o1 ZINC000603890717 399814335 /nfs/dbraw/zinc/81/43/35/399814335.db2.gz KKZAJGZCKNPORJ-UHFFFAOYSA-N 1 2 323.396 2.741 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000353550606 146664865 /nfs/dbraw/zinc/66/48/65/146664865.db2.gz RMJWURCETQEKNT-GFCCVEGCSA-N 1 2 313.336 2.832 20 30 DFEDLO C[C@@H](CNC(=O)c1coc(C2CCCCC2)n1)[NH+]1CCOCC1 ZINC000328761332 543097248 /nfs/dbraw/zinc/09/72/48/543097248.db2.gz YESWRXFWUNJYDR-ZDUSSCGKSA-N 1 2 321.421 2.748 20 30 DFEDLO Cc1cccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604558712 399856334 /nfs/dbraw/zinc/85/63/34/399856334.db2.gz MGAMYUKODJYXMW-UHFFFAOYSA-N 1 2 306.373 2.685 20 30 DFEDLO CCc1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000604558506 399856359 /nfs/dbraw/zinc/85/63/59/399856359.db2.gz HHEJRTFDAGGURI-UHFFFAOYSA-N 1 2 312.402 2.976 20 30 DFEDLO C[C@@H](Cc1ccccc1F)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558821 399856390 /nfs/dbraw/zinc/85/63/90/399856390.db2.gz RTFWAHOWVPBNRK-LBPRGKRZSA-N 1 2 324.363 2.922 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000350405935 543204691 /nfs/dbraw/zinc/20/46/91/543204691.db2.gz UHNMYQCNPODHIJ-KKUMJFAQSA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000350405935 543204694 /nfs/dbraw/zinc/20/46/94/543204694.db2.gz UHNMYQCNPODHIJ-KKUMJFAQSA-N 1 2 321.421 2.519 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCCCC1 ZINC000025404758 145186294 /nfs/dbraw/zinc/18/62/94/145186294.db2.gz PAQXLNPTTQFYPL-NSHDSACASA-N 1 2 303.431 2.921 20 30 DFEDLO Cc1cc[nH+]c(N2CCN(Cc3cc(F)ccc3C#N)CC2)c1 ZINC000166348049 145234362 /nfs/dbraw/zinc/23/43/62/145234362.db2.gz VZPGEBOWZMJIKE-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ncc(Br)cc1F ZINC000628251501 400008329 /nfs/dbraw/zinc/00/83/29/400008329.db2.gz JMCTZYMLNJGXRX-UHFFFAOYSA-N 1 2 303.175 2.618 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ncc(Br)cc1F ZINC000628251501 400008330 /nfs/dbraw/zinc/00/83/30/400008330.db2.gz JMCTZYMLNJGXRX-UHFFFAOYSA-N 1 2 303.175 2.618 20 30 DFEDLO CO[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@@H]1C ZINC000251640016 146214591 /nfs/dbraw/zinc/21/45/91/146214591.db2.gz HCYZAVXDKLJRRI-HZMBPMFUSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@@H]1C ZINC000251640016 146214592 /nfs/dbraw/zinc/21/45/92/146214592.db2.gz HCYZAVXDKLJRRI-HZMBPMFUSA-N 1 2 321.446 2.532 20 30 DFEDLO Cc1ccc(Cc2noc(CNc3ccc(C#N)cc3)n2)c[nH+]1 ZINC000356170882 147590054 /nfs/dbraw/zinc/59/00/54/147590054.db2.gz MKPPVUSOYYFXIK-UHFFFAOYSA-N 1 2 305.341 2.848 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595845073 543465530 /nfs/dbraw/zinc/46/55/30/543465530.db2.gz YHUYVJFJQDDDDE-ACJLOTCBSA-N 1 2 323.400 2.639 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(C#N)ccn1 ZINC000357532717 148025746 /nfs/dbraw/zinc/02/57/46/148025746.db2.gz HFIVWFZXRALBIK-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3c(cc1C#N)CCC3)CCC2 ZINC000361186152 149050419 /nfs/dbraw/zinc/05/04/19/149050419.db2.gz BPBDYJZNKIYGOV-CQSZACIVSA-N 1 2 307.401 2.936 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000361650857 149180497 /nfs/dbraw/zinc/18/04/97/149180497.db2.gz BZPKLHUIZMCTCN-IBGZPJMESA-N 1 2 308.381 2.838 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000361650857 149180498 /nfs/dbraw/zinc/18/04/98/149180498.db2.gz BZPKLHUIZMCTCN-IBGZPJMESA-N 1 2 308.381 2.838 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667252451 543573439 /nfs/dbraw/zinc/57/34/39/543573439.db2.gz HLEXWWGMAXRQPV-CYBMUJFWSA-N 1 2 302.378 2.514 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(F)c1 ZINC000371556123 150064328 /nfs/dbraw/zinc/06/43/28/150064328.db2.gz WYBMZNYRARSELK-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1C#N ZINC000372993615 150213008 /nfs/dbraw/zinc/21/30/08/150213008.db2.gz UILYKXHAILQXQH-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO CO[C@H]1Cc2ccccc2N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000374379866 150356082 /nfs/dbraw/zinc/35/60/82/150356082.db2.gz YNWBFIIUNULXNO-KRWDZBQOSA-N 1 2 318.380 2.784 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2noc(C)c2C#N)[nH+]1 ZINC000354590644 158234946 /nfs/dbraw/zinc/23/49/46/158234946.db2.gz FCDBUANZTDGJGJ-UHFFFAOYSA-N 1 2 321.340 2.734 20 30 DFEDLO N#Cc1csc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000354997145 158251027 /nfs/dbraw/zinc/25/10/27/158251027.db2.gz HVUIOGKCCGTXSC-UHFFFAOYSA-N 1 2 321.409 2.935 20 30 DFEDLO CCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000355152701 158286464 /nfs/dbraw/zinc/28/64/64/158286464.db2.gz UVQBOLPFAAUWGA-GOSISDBHSA-N 1 2 310.401 2.738 20 30 DFEDLO CCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000355152701 158286469 /nfs/dbraw/zinc/28/64/69/158286469.db2.gz UVQBOLPFAAUWGA-GOSISDBHSA-N 1 2 310.401 2.738 20 30 DFEDLO N#Cc1ccc(O[C@H]2CCN(c3cc[nH+]c4ccncc43)C2)nc1 ZINC000368219682 158618072 /nfs/dbraw/zinc/61/80/72/158618072.db2.gz CXHNGUGQNVQVMU-AWEZNQCLSA-N 1 2 317.352 2.554 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130863850 196117637 /nfs/dbraw/zinc/11/76/37/196117637.db2.gz QXBZJDFLENKWEQ-KRWDZBQOSA-N 1 2 322.412 2.756 20 30 DFEDLO CCc1nnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000134147586 196366075 /nfs/dbraw/zinc/36/60/75/196366075.db2.gz MCMMTODRGNGOKW-CXAGYDPISA-N 1 2 324.432 2.757 20 30 DFEDLO Cc1nc([C@](C)([NH2+]CCOc2ccccc2C#N)C2CC2)no1 ZINC000433296929 296905083 /nfs/dbraw/zinc/90/50/83/296905083.db2.gz UTKOCUBOEHPACJ-QGZVFWFLSA-N 1 2 312.373 2.544 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000291115518 335081318 /nfs/dbraw/zinc/08/13/18/335081318.db2.gz FSEOUPCYSUDHKG-LLVKDONJSA-N 1 2 319.405 2.902 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)OCC ZINC000677311530 544469044 /nfs/dbraw/zinc/46/90/44/544469044.db2.gz LYCUSLDULNKMMP-MRXNPFEDSA-N 1 2 315.417 2.673 20 30 DFEDLO C=CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1F ZINC000677678319 544520348 /nfs/dbraw/zinc/52/03/48/544520348.db2.gz HGBMFYWGCYULJH-AWEZNQCLSA-N 1 2 311.422 2.639 20 30 DFEDLO C=CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1F ZINC000677678319 544520354 /nfs/dbraw/zinc/52/03/54/544520354.db2.gz HGBMFYWGCYULJH-AWEZNQCLSA-N 1 2 311.422 2.639 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1 ZINC000678220338 544622571 /nfs/dbraw/zinc/62/25/71/544622571.db2.gz HHPKEBQFINPSJO-LJQANCHMSA-N 1 2 322.408 2.836 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1 ZINC000678220338 544622572 /nfs/dbraw/zinc/62/25/72/544622572.db2.gz HHPKEBQFINPSJO-LJQANCHMSA-N 1 2 322.408 2.836 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057906948 425897489 /nfs/dbraw/zinc/89/74/89/425897489.db2.gz JQADQJTXHARCIC-LLVKDONJSA-N 1 2 323.343 2.851 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880865 425897346 /nfs/dbraw/zinc/89/73/46/425897346.db2.gz ATVLYXREBGSPAX-ZDUSSCGKSA-N 1 2 301.390 2.648 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297559 425900435 /nfs/dbraw/zinc/90/04/35/425900435.db2.gz FUJJAUFFRFNEFO-UHFFFAOYSA-N 1 2 319.405 2.888 20 30 DFEDLO C=CC[N@H+](CC(=O)NC(C)(C)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297559 425900436 /nfs/dbraw/zinc/90/04/36/425900436.db2.gz FUJJAUFFRFNEFO-UHFFFAOYSA-N 1 2 319.405 2.888 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)c1cccc(C#N)c1 ZINC000063326873 425900547 /nfs/dbraw/zinc/90/05/47/425900547.db2.gz SCVCCCYNHJDKQZ-UHFFFAOYSA-N 1 2 304.353 2.879 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000066564685 425905065 /nfs/dbraw/zinc/90/50/65/425905065.db2.gz QTYSBOADLODJPU-LBPRGKRZSA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000066564685 425905066 /nfs/dbraw/zinc/90/50/66/425905066.db2.gz QTYSBOADLODJPU-LBPRGKRZSA-N 1 2 314.414 2.782 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419014908 269883753 /nfs/dbraw/zinc/88/37/53/269883753.db2.gz LHEQWMNCIPZMAC-BLLLJJGKSA-N 1 2 323.400 2.630 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC000419014908 269883755 /nfs/dbraw/zinc/88/37/55/269883755.db2.gz LHEQWMNCIPZMAC-BLLLJJGKSA-N 1 2 323.400 2.630 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184747286 335085400 /nfs/dbraw/zinc/08/54/00/335085400.db2.gz SPLQJJDJUCZBAO-LSDHHAIUSA-N 1 2 308.422 2.678 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000068871134 425923756 /nfs/dbraw/zinc/92/37/56/425923756.db2.gz AWXLYLXTRSSWOB-OAHLLOKOSA-N 1 2 323.400 2.541 20 30 DFEDLO O[C@@H](C1CC[NH+](CC#Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000157186830 425937013 /nfs/dbraw/zinc/93/70/13/425937013.db2.gz VSFFZTPGTYXCKU-HNNXBMFYSA-N 1 2 315.310 2.812 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157026452 425937029 /nfs/dbraw/zinc/93/70/29/425937029.db2.gz IDWPPUKIBGFKGO-HNNXBMFYSA-N 1 2 323.845 2.672 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157026452 425937032 /nfs/dbraw/zinc/93/70/32/425937032.db2.gz IDWPPUKIBGFKGO-HNNXBMFYSA-N 1 2 323.845 2.672 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1F ZINC000353200701 266103065 /nfs/dbraw/zinc/10/30/65/266103065.db2.gz KQYHVLDSDXQDQQ-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1F ZINC000353200701 266103069 /nfs/dbraw/zinc/10/30/69/266103069.db2.gz KQYHVLDSDXQDQQ-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245520576 266134294 /nfs/dbraw/zinc/13/42/94/266134294.db2.gz JRVRZQMWEDURJI-PBHICJAKSA-N 1 2 310.401 2.535 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245520576 266134295 /nfs/dbraw/zinc/13/42/95/266134295.db2.gz JRVRZQMWEDURJI-PBHICJAKSA-N 1 2 310.401 2.535 20 30 DFEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H](CC)O1 ZINC000398514308 266381933 /nfs/dbraw/zinc/38/19/33/266381933.db2.gz JQJLLVZYARCWPA-FVQBIDKESA-N 1 2 315.417 2.775 20 30 DFEDLO COc1coc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1=O ZINC000347988861 266908408 /nfs/dbraw/zinc/90/84/08/266908408.db2.gz JRDWCIMKZCFUIW-UHFFFAOYSA-N 1 2 322.364 2.809 20 30 DFEDLO COc1coc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1=O ZINC000347988861 266908410 /nfs/dbraw/zinc/90/84/10/266908410.db2.gz JRDWCIMKZCFUIW-UHFFFAOYSA-N 1 2 322.364 2.809 20 30 DFEDLO C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344690661 267016180 /nfs/dbraw/zinc/01/61/80/267016180.db2.gz SBMYYDKWKSWUOZ-QAPCUYQASA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000399225975 267027330 /nfs/dbraw/zinc/02/73/30/267027330.db2.gz XXUIDHFSPCXPJJ-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000399225975 267027333 /nfs/dbraw/zinc/02/73/33/267027333.db2.gz XXUIDHFSPCXPJJ-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO CC[C@](CNc1cc(C)[nH+]cc1C#N)(C(=O)OC)c1ccccc1 ZINC000425270731 267237899 /nfs/dbraw/zinc/23/78/99/267237899.db2.gz UCUDDDYADIQXEY-LJQANCHMSA-N 1 2 323.396 2.617 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N ZINC000454922676 267257394 /nfs/dbraw/zinc/25/73/94/267257394.db2.gz KGHANUSGEPQUHA-SNVBAGLBSA-N 1 2 301.325 2.796 20 30 DFEDLO CCn1cc[nH+]c1CNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000450675761 267257981 /nfs/dbraw/zinc/25/79/81/267257981.db2.gz DKDSAHDZCMFEEM-UHFFFAOYSA-N 1 2 305.385 2.974 20 30 DFEDLO Cc1cc(C#N)nc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000342294820 267313947 /nfs/dbraw/zinc/31/39/47/267313947.db2.gz NGKRLXAAAMUZJA-UHFFFAOYSA-N 1 2 318.384 2.538 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C\c1cccc(C#N)c1 ZINC000493375794 267322491 /nfs/dbraw/zinc/32/24/91/267322491.db2.gz ZUTOVKUWEPTOCC-HJWRWDBZSA-N 1 2 320.396 2.763 20 30 DFEDLO CC[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487264 425645993 /nfs/dbraw/zinc/64/59/93/425645993.db2.gz CUZKFQSODUGEND-UHFFFAOYSA-N 1 2 318.380 2.817 20 30 DFEDLO CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487264 425645996 /nfs/dbraw/zinc/64/59/96/425645996.db2.gz CUZKFQSODUGEND-UHFFFAOYSA-N 1 2 318.380 2.817 20 30 DFEDLO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000184313818 267771246 /nfs/dbraw/zinc/77/12/46/267771246.db2.gz UJHUAMWCNNOELG-HOTGVXAUSA-N 1 2 318.417 2.548 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000032668190 425839276 /nfs/dbraw/zinc/83/92/76/425839276.db2.gz NWTLPPHVKCEPOC-OUCADQQQSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000032668190 425839277 /nfs/dbraw/zinc/83/92/77/425839277.db2.gz NWTLPPHVKCEPOC-OUCADQQQSA-N 1 2 319.371 2.704 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000038450486 425850659 /nfs/dbraw/zinc/85/06/59/425850659.db2.gz IQUCCUBJJBJBLR-UHFFFAOYSA-N 1 2 318.380 2.817 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000038450486 425850660 /nfs/dbraw/zinc/85/06/60/425850660.db2.gz IQUCCUBJJBJBLR-UHFFFAOYSA-N 1 2 318.380 2.817 20 30 DFEDLO CCOC(=O)N[C@@H](C/[NH+]=C/c1cccc(OC)c1O)CC(C)C ZINC000041701589 425852411 /nfs/dbraw/zinc/85/24/11/425852411.db2.gz FKXQMHNVCLJNOT-YFEUJDIGSA-N 1 2 322.405 2.981 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1C#N ZINC000192258880 268028155 /nfs/dbraw/zinc/02/81/55/268028155.db2.gz AMCFAFANWMCGPK-UHFFFAOYSA-N 1 2 316.430 2.931 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])CCC2 ZINC000450410656 268069478 /nfs/dbraw/zinc/06/94/78/268069478.db2.gz WJSNNTWUAOYVOE-CYBMUJFWSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1noc(C2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000459610412 268098144 /nfs/dbraw/zinc/09/81/44/268098144.db2.gz RPJSMKKIOBPBFJ-UHFFFAOYSA-N 1 2 322.290 2.868 20 30 DFEDLO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000195313261 268132517 /nfs/dbraw/zinc/13/25/17/268132517.db2.gz FSYGPZNLRUFURB-OKILXGFUSA-N 1 2 321.852 2.753 20 30 DFEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000195313261 268132519 /nfs/dbraw/zinc/13/25/19/268132519.db2.gz FSYGPZNLRUFURB-OKILXGFUSA-N 1 2 321.852 2.753 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000428226513 268163440 /nfs/dbraw/zinc/16/34/40/268163440.db2.gz PEIKMRZZKBWWQE-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000428226513 268163442 /nfs/dbraw/zinc/16/34/42/268163442.db2.gz PEIKMRZZKBWWQE-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000428300594 268163500 /nfs/dbraw/zinc/16/35/00/268163500.db2.gz HUNGVQGIBQDHSB-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000428300594 268163501 /nfs/dbraw/zinc/16/35/01/268163501.db2.gz HUNGVQGIBQDHSB-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)o1 ZINC000529669324 268220602 /nfs/dbraw/zinc/22/06/02/268220602.db2.gz LNTPHLZYFIDYDW-UHFFFAOYSA-N 1 2 306.369 2.955 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(CC(F)(F)F)no3)CC2)c1 ZINC000341956161 268241421 /nfs/dbraw/zinc/24/14/21/268241421.db2.gz AZJORHDQYKOUHG-UHFFFAOYSA-N 1 2 322.290 2.825 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411930785 268291592 /nfs/dbraw/zinc/29/15/92/268291592.db2.gz ZRNIWEGZXQBHMQ-YJBOKZPZSA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411930785 268291593 /nfs/dbraw/zinc/29/15/93/268291593.db2.gz ZRNIWEGZXQBHMQ-YJBOKZPZSA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000103226343 425938880 /nfs/dbraw/zinc/93/88/80/425938880.db2.gz WHSCJOOUJPVDRR-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000103226343 425938883 /nfs/dbraw/zinc/93/88/83/425938883.db2.gz WHSCJOOUJPVDRR-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000158260634 425940346 /nfs/dbraw/zinc/94/03/46/425940346.db2.gz ISTIOHSEAODTCR-KZNAEPCWSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000158260634 425940349 /nfs/dbraw/zinc/94/03/49/425940349.db2.gz ISTIOHSEAODTCR-KZNAEPCWSA-N 1 2 319.832 2.960 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCSCC1 ZINC000103468175 425949453 /nfs/dbraw/zinc/94/94/53/425949453.db2.gz WUUTXASZEDESHN-UHFFFAOYSA-N 1 2 308.472 2.952 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)c1 ZINC000126213980 426009696 /nfs/dbraw/zinc/00/96/96/426009696.db2.gz OJARCABXOQMNNM-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1cccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)c1 ZINC000126213980 426009698 /nfs/dbraw/zinc/00/96/98/426009698.db2.gz OJARCABXOQMNNM-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000126347534 426015454 /nfs/dbraw/zinc/01/54/54/426015454.db2.gz FUANTSVDMPONJG-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000126347534 426015456 /nfs/dbraw/zinc/01/54/56/426015456.db2.gz FUANTSVDMPONJG-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000072590375 426018104 /nfs/dbraw/zinc/01/81/04/426018104.db2.gz YSLBLJKGJSIMAQ-UHFFFAOYSA-N 1 2 322.430 2.764 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)Cc1ccccc1 ZINC000072692173 426019241 /nfs/dbraw/zinc/01/92/41/426019241.db2.gz XQAJZWMPSXRHEP-UHFFFAOYSA-N 1 2 301.434 2.907 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)Cc1ccccc1 ZINC000072692173 426019243 /nfs/dbraw/zinc/01/92/43/426019243.db2.gz XQAJZWMPSXRHEP-UHFFFAOYSA-N 1 2 301.434 2.907 20 30 DFEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000128002382 426096206 /nfs/dbraw/zinc/09/62/06/426096206.db2.gz RUFWWKBWOUURNN-OAHLLOKOSA-N 1 2 314.433 2.759 20 30 DFEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000128002382 426096207 /nfs/dbraw/zinc/09/62/07/426096207.db2.gz RUFWWKBWOUURNN-OAHLLOKOSA-N 1 2 314.433 2.759 20 30 DFEDLO C=C(C)CN(CC)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164736006 426117609 /nfs/dbraw/zinc/11/76/09/426117609.db2.gz LYQCBBAGDFJUDK-HNNXBMFYSA-N 1 2 302.422 2.658 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000114490612 426137364 /nfs/dbraw/zinc/13/73/64/426137364.db2.gz YVSXJEIOVLKFDN-UHFFFAOYSA-N 1 2 315.314 2.576 20 30 DFEDLO CCOC(=O)N[C@@H](C/[NH+]=C/c1cc(OC)ccc1O)CC(C)C ZINC000075474254 426073483 /nfs/dbraw/zinc/07/34/83/426073483.db2.gz VHAACONLSIJIEQ-YFEUJDIGSA-N 1 2 322.405 2.981 20 30 DFEDLO C=CC[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000117051927 426204834 /nfs/dbraw/zinc/20/48/34/426204834.db2.gz MJPCHYRKCMQLQZ-SMDDNHRTSA-N 1 2 311.376 2.831 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000130871538 426162421 /nfs/dbraw/zinc/16/24/21/426162421.db2.gz IOPYPJVRWQYQJM-CXAGYDPISA-N 1 2 314.385 2.658 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131372626 426164901 /nfs/dbraw/zinc/16/49/01/426164901.db2.gz XAAWATOQFPHFSO-AWEZNQCLSA-N 1 2 313.376 2.799 20 30 DFEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1C ZINC000115541747 426166333 /nfs/dbraw/zinc/16/63/33/426166333.db2.gz AHQRSHMABHRHTC-SFHVURJKSA-N 1 2 323.396 2.534 20 30 DFEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1C ZINC000115541747 426166334 /nfs/dbraw/zinc/16/63/34/426166334.db2.gz AHQRSHMABHRHTC-SFHVURJKSA-N 1 2 323.396 2.534 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171064401 426167424 /nfs/dbraw/zinc/16/74/24/426167424.db2.gz ZYPYGUGSGLHRMQ-UHFFFAOYSA-N 1 2 311.385 2.925 20 30 DFEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc(C)cs1 ZINC000115599622 426169735 /nfs/dbraw/zinc/16/97/35/426169735.db2.gz RFBSDAFKZURPPE-ZIAGYGMSSA-N 1 2 314.414 2.591 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000133408033 426176142 /nfs/dbraw/zinc/17/61/42/426176142.db2.gz VZXRAXDZWGJLPY-UHFFFAOYSA-N 1 2 308.341 2.557 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000133894753 426185319 /nfs/dbraw/zinc/18/53/19/426185319.db2.gz IHHONZZMZXKDAA-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000133894753 426185320 /nfs/dbraw/zinc/18/53/20/426185320.db2.gz IHHONZZMZXKDAA-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000171500315 426191296 /nfs/dbraw/zinc/19/12/96/426191296.db2.gz RPIHKZZAEIXKKQ-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000171500315 426191297 /nfs/dbraw/zinc/19/12/97/426191297.db2.gz RPIHKZZAEIXKKQ-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO C=CCOCCCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000079500559 426194659 /nfs/dbraw/zinc/19/46/59/426194659.db2.gz ODFJUAPKYAIWOH-UHFFFAOYSA-N 1 2 313.401 2.530 20 30 DFEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1Cl ZINC000172028539 426221292 /nfs/dbraw/zinc/22/12/92/426221292.db2.gz HXVBZEUKRJCKCT-OAHLLOKOSA-N 1 2 324.771 2.911 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000081577153 426223752 /nfs/dbraw/zinc/22/37/52/426223752.db2.gz DUAPGKNCIZENML-GFCCVEGCSA-N 1 2 313.430 2.601 20 30 DFEDLO C[N@H+](CCC#N)Cc1ccc(I)cc1 ZINC000083849617 426231149 /nfs/dbraw/zinc/23/11/49/426231149.db2.gz JBISOHKVZBDYQJ-UHFFFAOYSA-N 1 2 300.143 2.637 20 30 DFEDLO C[N@@H+](CCC#N)Cc1ccc(I)cc1 ZINC000083849617 426231150 /nfs/dbraw/zinc/23/11/50/426231150.db2.gz JBISOHKVZBDYQJ-UHFFFAOYSA-N 1 2 300.143 2.637 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175433495 426304982 /nfs/dbraw/zinc/30/49/82/426304982.db2.gz ULSVADWJHDRQQH-HNNXBMFYSA-N 1 2 312.417 2.890 20 30 DFEDLO C=C(C)C[N@@H+](CC)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000120107782 426305626 /nfs/dbraw/zinc/30/56/26/426305626.db2.gz QANYRXJVXKJJCC-UHFFFAOYSA-N 1 2 312.421 2.904 20 30 DFEDLO C=C(C)C[N@H+](CC)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000120107782 426305629 /nfs/dbraw/zinc/30/56/29/426305629.db2.gz QANYRXJVXKJJCC-UHFFFAOYSA-N 1 2 312.421 2.904 20 30 DFEDLO C=C(C)C[N@@H+](CC)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000120138149 426307806 /nfs/dbraw/zinc/30/78/06/426307806.db2.gz DHNKZIIEFJZYBX-UHFFFAOYSA-N 1 2 306.406 2.889 20 30 DFEDLO C=C(C)C[N@H+](CC)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000120138149 426307810 /nfs/dbraw/zinc/30/78/10/426307810.db2.gz DHNKZIIEFJZYBX-UHFFFAOYSA-N 1 2 306.406 2.889 20 30 DFEDLO N#CC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CCCC1 ZINC000151124429 426279851 /nfs/dbraw/zinc/27/98/51/426279851.db2.gz XQIMIYWSTPOCMN-CQSZACIVSA-N 1 2 308.809 2.848 20 30 DFEDLO N#CC[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CCCC1 ZINC000151124429 426279853 /nfs/dbraw/zinc/27/98/53/426279853.db2.gz XQIMIYWSTPOCMN-CQSZACIVSA-N 1 2 308.809 2.848 20 30 DFEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000122941399 426403978 /nfs/dbraw/zinc/40/39/78/426403978.db2.gz SMWGLHZJQQHPFG-YOEHRIQHSA-N 1 2 322.412 2.992 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891510 426344192 /nfs/dbraw/zinc/34/41/92/426344192.db2.gz LSFOQZGWGLLTEO-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891510 426344195 /nfs/dbraw/zinc/34/41/95/426344195.db2.gz LSFOQZGWGLLTEO-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000093416716 426356549 /nfs/dbraw/zinc/35/65/49/426356549.db2.gz RWGCVIYRIPYQFQ-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000093416716 426356552 /nfs/dbraw/zinc/35/65/52/426356552.db2.gz RWGCVIYRIPYQFQ-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO CC[C@@H](C)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000153444810 426386204 /nfs/dbraw/zinc/38/62/04/426386204.db2.gz KHPODCBRZRNSNG-LLVKDONJSA-N 1 2 301.394 2.567 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000123400175 426430796 /nfs/dbraw/zinc/43/07/96/426430796.db2.gz WRMYGDJWHDQCRO-SJORKVTESA-N 1 2 313.401 2.805 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000123400175 426430798 /nfs/dbraw/zinc/43/07/98/426430798.db2.gz WRMYGDJWHDQCRO-SJORKVTESA-N 1 2 313.401 2.805 20 30 DFEDLO C[C@@]([NH2+]CC#Cc1ccc(Cl)cc1)(C(N)=O)c1ccccc1 ZINC000177086830 426443128 /nfs/dbraw/zinc/44/31/28/426443128.db2.gz QHWMMDSOOFHVTF-SFHVURJKSA-N 1 2 312.800 2.682 20 30 DFEDLO Cc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nc1 ZINC000340845807 269020952 /nfs/dbraw/zinc/02/09/52/269020952.db2.gz ZDJJBYNFEOZZJG-UHFFFAOYSA-N 1 2 308.385 2.700 20 30 DFEDLO CCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000177255771 426460522 /nfs/dbraw/zinc/46/05/22/426460522.db2.gz BRJPBTMRTRHUIW-UHFFFAOYSA-N 1 2 312.335 2.644 20 30 DFEDLO CCCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000177255771 426460525 /nfs/dbraw/zinc/46/05/25/426460525.db2.gz BRJPBTMRTRHUIW-UHFFFAOYSA-N 1 2 312.335 2.644 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000155197440 426465760 /nfs/dbraw/zinc/46/57/60/426465760.db2.gz LWQNBFBLJUDTOO-ZBFHGGJFSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000155197440 426465764 /nfs/dbraw/zinc/46/57/64/426465764.db2.gz LWQNBFBLJUDTOO-ZBFHGGJFSA-N 1 2 301.434 2.824 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000155289258 426468821 /nfs/dbraw/zinc/46/88/21/426468821.db2.gz VZKBQPQMGQREHZ-LJQANCHMSA-N 1 2 307.397 2.775 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000280202301 426521226 /nfs/dbraw/zinc/52/12/26/426521226.db2.gz UQPYQPKKZPYGON-OAHLLOKOSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000280202301 426521229 /nfs/dbraw/zinc/52/12/29/426521229.db2.gz UQPYQPKKZPYGON-OAHLLOKOSA-N 1 2 312.373 2.638 20 30 DFEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000186163576 426490162 /nfs/dbraw/zinc/49/01/62/426490162.db2.gz DVVAUJLQBIUJPF-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO COC(=O)C1([NH2+]Cc2ccc(OCC#N)cc2)CCCCC1 ZINC000264624326 426575516 /nfs/dbraw/zinc/57/55/16/426575516.db2.gz OZRHPJAWDQMLBW-UHFFFAOYSA-N 1 2 302.374 2.554 20 30 DFEDLO C#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000178159713 426578690 /nfs/dbraw/zinc/57/86/90/426578690.db2.gz CZJQJBREPOKILM-UHFFFAOYSA-N 1 2 312.442 2.979 20 30 DFEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H](C#N)CCC#N ZINC000264908083 426579875 /nfs/dbraw/zinc/57/98/75/426579875.db2.gz YJRNMIMVXLDQQA-AWEZNQCLSA-N 1 2 301.390 2.969 20 30 DFEDLO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H](C#N)CCC#N ZINC000264908083 426579883 /nfs/dbraw/zinc/57/98/83/426579883.db2.gz YJRNMIMVXLDQQA-AWEZNQCLSA-N 1 2 301.390 2.969 20 30 DFEDLO C[C@@]([NH2+]Cc1ccc(Cl)cc1C#N)(C(N)=O)c1ccccc1 ZINC000187222057 426638230 /nfs/dbraw/zinc/63/82/30/426638230.db2.gz KYNZEMGVYVOXET-KRWDZBQOSA-N 1 2 313.788 2.702 20 30 DFEDLO N#Cc1cccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000265598871 426659479 /nfs/dbraw/zinc/65/94/79/426659479.db2.gz ZGEZTVDQZVDGIU-AWEZNQCLSA-N 1 2 314.414 2.500 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1cn(Cc2cccnc2)nn1 ZINC000273236501 426624201 /nfs/dbraw/zinc/62/42/01/426624201.db2.gz XXHLKRWLDISWMV-UHFFFAOYSA-N 1 2 323.400 2.545 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1cn(Cc2cccnc2)nn1 ZINC000273236501 426624202 /nfs/dbraw/zinc/62/42/02/426624202.db2.gz XXHLKRWLDISWMV-UHFFFAOYSA-N 1 2 323.400 2.545 20 30 DFEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)nc(C2CC2)[nH+]1 ZINC000265389551 426628863 /nfs/dbraw/zinc/62/88/63/426628863.db2.gz TZBVTJHSKRUGOD-UHFFFAOYSA-N 1 2 319.412 2.861 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1=O ZINC000281369583 426717010 /nfs/dbraw/zinc/71/70/10/426717010.db2.gz YIIUASNVQLOOJI-HUUCEWRRSA-N 1 2 313.426 2.609 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](c2nccs2)c2ccccc2)C1=O ZINC000281369580 426717485 /nfs/dbraw/zinc/71/74/85/426717485.db2.gz YIIUASNVQLOOJI-GJZGRUSLSA-N 1 2 313.426 2.609 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(CC)c1nc2ccccc2s1)C1CC1 ZINC000274251135 426729397 /nfs/dbraw/zinc/72/93/97/426729397.db2.gz ZSGBFTCEFRCGHW-UHFFFAOYSA-N 1 2 313.426 2.747 20 30 DFEDLO C#CC[N@H+](CC(=O)N(CC)c1nc2ccccc2s1)C1CC1 ZINC000274251135 426729400 /nfs/dbraw/zinc/72/94/00/426729400.db2.gz ZSGBFTCEFRCGHW-UHFFFAOYSA-N 1 2 313.426 2.747 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000274247639 426729424 /nfs/dbraw/zinc/72/94/24/426729424.db2.gz YXBSMZRMNPKMSB-UHFFFAOYSA-N 1 2 322.408 2.906 20 30 DFEDLO C#CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000274247639 426729428 /nfs/dbraw/zinc/72/94/28/426729428.db2.gz YXBSMZRMNPKMSB-UHFFFAOYSA-N 1 2 322.408 2.906 20 30 DFEDLO Cc1ccc([C@@H](CNc2cccnc2C#N)[NH+]2CCOCC2)cc1 ZINC000290546294 426788471 /nfs/dbraw/zinc/78/84/71/426788471.db2.gz IZSDRFRMCFLGFT-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274259414 426730637 /nfs/dbraw/zinc/73/06/37/426730637.db2.gz BFXHRNJPPHVCNC-WMZOPIPTSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274259414 426730640 /nfs/dbraw/zinc/73/06/40/426730640.db2.gz BFXHRNJPPHVCNC-WMZOPIPTSA-N 1 2 316.445 2.606 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1O ZINC000188323374 426742342 /nfs/dbraw/zinc/74/23/42/426742342.db2.gz BJMVGISXIAQHBM-UHFFFAOYSA-N 1 2 304.309 2.702 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000179654313 426809967 /nfs/dbraw/zinc/80/99/67/426809967.db2.gz JEUZLTFQGCWRMJ-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000179654313 426809971 /nfs/dbraw/zinc/80/99/71/426809971.db2.gz JEUZLTFQGCWRMJ-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1C#N ZINC000282203581 426850846 /nfs/dbraw/zinc/85/08/46/426850846.db2.gz GXXUSMLBTBZXQR-UHFFFAOYSA-N 1 2 324.428 2.982 20 30 DFEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000267328390 426871991 /nfs/dbraw/zinc/87/19/91/426871991.db2.gz QBXZRKZVUGGYTM-UHFFFAOYSA-N 1 2 302.399 2.979 20 30 DFEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000267328390 426871999 /nfs/dbraw/zinc/87/19/99/426871999.db2.gz QBXZRKZVUGGYTM-UHFFFAOYSA-N 1 2 302.399 2.979 20 30 DFEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189543182 426884884 /nfs/dbraw/zinc/88/48/84/426884884.db2.gz WIGQXHGVEKKUCH-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189543182 426884888 /nfs/dbraw/zinc/88/48/88/426884888.db2.gz WIGQXHGVEKKUCH-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1 ZINC000282403833 426903172 /nfs/dbraw/zinc/90/31/72/426903172.db2.gz KGJVVUROOMMNOM-KVULBXGLSA-N 1 2 311.385 2.692 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247570160 426952035 /nfs/dbraw/zinc/95/20/35/426952035.db2.gz LIWODUWCIWDTMR-CMPLNLGQSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247570160 426952043 /nfs/dbraw/zinc/95/20/43/426952043.db2.gz LIWODUWCIWDTMR-CMPLNLGQSA-N 1 2 317.216 2.967 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000268214126 426953332 /nfs/dbraw/zinc/95/33/32/426953332.db2.gz POJTZPAOWJEEMG-UHFFFAOYSA-N 1 2 314.429 2.805 20 30 DFEDLO CCc1nnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000268259200 426966556 /nfs/dbraw/zinc/96/65/56/426966556.db2.gz MCMMTODRGNGOKW-GUYCJALGSA-N 1 2 324.432 2.757 20 30 DFEDLO C[C@@H]1c2cccn2CCN1C([O-])=[NH+]C[C@H]1CCCn2cc[nH+]c21 ZINC000328610636 426980138 /nfs/dbraw/zinc/98/01/38/426980138.db2.gz NVYIYMOTOGRXLY-ZIAGYGMSSA-N 1 2 313.405 2.553 20 30 DFEDLO C[C@@H]1c2cccn2CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328610636 426980143 /nfs/dbraw/zinc/98/01/43/426980143.db2.gz NVYIYMOTOGRXLY-ZIAGYGMSSA-N 1 2 313.405 2.553 20 30 DFEDLO Cc1cccc([C@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)c1 ZINC000283699112 427058428 /nfs/dbraw/zinc/05/84/28/427058428.db2.gz ZXBGFAISQLXOSE-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1[nH+]ccn1C ZINC000329164558 427058767 /nfs/dbraw/zinc/05/87/67/427058767.db2.gz GXLBJIZUZXAFPW-UHFFFAOYSA-N 1 2 316.449 2.777 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268377744 426999586 /nfs/dbraw/zinc/99/95/86/426999586.db2.gz MCBZBCUFCBNNJW-YOBDTOFLSA-N 1 2 320.396 2.878 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)[N@@H+]1CCO[C@H](CC)C1 ZINC000328795734 426999547 /nfs/dbraw/zinc/99/95/47/426999547.db2.gz UHEYGEROGZODDN-JJTUDDRGSA-N 1 2 324.465 2.790 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)[N@H+]1CCO[C@H](CC)C1 ZINC000328795734 426999557 /nfs/dbraw/zinc/99/95/57/426999557.db2.gz UHEYGEROGZODDN-JJTUDDRGSA-N 1 2 324.465 2.790 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000328951216 427016707 /nfs/dbraw/zinc/01/67/07/427016707.db2.gz CLSLFUDIJQCPAD-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000328951216 427016712 /nfs/dbraw/zinc/01/67/12/427016712.db2.gz CLSLFUDIJQCPAD-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000182191953 427023074 /nfs/dbraw/zinc/02/30/74/427023074.db2.gz WGOPMQUTNFBTLT-UHFFFAOYSA-N 1 2 302.305 2.757 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329020926 427026632 /nfs/dbraw/zinc/02/66/32/427026632.db2.gz HUKLIDCNCRRYOP-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329020926 427026636 /nfs/dbraw/zinc/02/66/36/427026636.db2.gz HUKLIDCNCRRYOP-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000329025892 427027473 /nfs/dbraw/zinc/02/74/73/427027473.db2.gz NXHLJMLQBQMNKR-QKPAOTATSA-N 1 2 317.433 2.662 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCCO1)C1CCOCC1 ZINC000329097708 427043662 /nfs/dbraw/zinc/04/36/62/427043662.db2.gz YQHATIDSNUHYJE-HUUCEWRRSA-N 1 2 321.421 2.896 20 30 DFEDLO CCN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000190198135 427043946 /nfs/dbraw/zinc/04/39/46/427043946.db2.gz XLNDXVNALDACEF-UHFFFAOYSA-N 1 2 324.346 2.611 20 30 DFEDLO CCN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000190198135 427043947 /nfs/dbraw/zinc/04/39/47/427043947.db2.gz XLNDXVNALDACEF-UHFFFAOYSA-N 1 2 324.346 2.611 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CC12CCCCC2 ZINC000329129709 427048738 /nfs/dbraw/zinc/04/87/38/427048738.db2.gz WHFUNCAGACMJEM-KBPBESRZSA-N 1 2 302.422 2.987 20 30 DFEDLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329141032 427052769 /nfs/dbraw/zinc/05/27/69/427052769.db2.gz TZZPHNYBYQDXFL-SNPRPXQTSA-N 1 2 320.437 2.580 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329141517 427052795 /nfs/dbraw/zinc/05/27/95/427052795.db2.gz KKUPMMHHQIVWTO-KFWWJZLASA-N 1 2 320.437 2.707 20 30 DFEDLO O=C(NCC[C@@H]1CCCCO1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329252768 427071530 /nfs/dbraw/zinc/07/15/30/427071530.db2.gz BZRVWTPQWCXTMZ-HOTGVXAUSA-N 1 2 310.438 2.546 20 30 DFEDLO O=C(NCC[C@@H]1CCCCO1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329252768 427071540 /nfs/dbraw/zinc/07/15/40/427071540.db2.gz BZRVWTPQWCXTMZ-HOTGVXAUSA-N 1 2 310.438 2.546 20 30 DFEDLO O=C(NCCOC1CCCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329239363 427072631 /nfs/dbraw/zinc/07/26/31/427072631.db2.gz LYPLCXFATKRFSB-QGZVFWFLSA-N 1 2 324.465 2.936 20 30 DFEDLO O=C(NCCOC1CCCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329239363 427072638 /nfs/dbraw/zinc/07/26/38/427072638.db2.gz LYPLCXFATKRFSB-QGZVFWFLSA-N 1 2 324.465 2.936 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)[nH]1 ZINC000329506390 427128496 /nfs/dbraw/zinc/12/84/96/427128496.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)[nH]1 ZINC000329506390 427128502 /nfs/dbraw/zinc/12/85/02/427128502.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)n1 ZINC000329506390 427128506 /nfs/dbraw/zinc/12/85/06/427128506.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)n1 ZINC000329506390 427128511 /nfs/dbraw/zinc/12/85/11/427128511.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)n[nH]1 ZINC000329506390 427128516 /nfs/dbraw/zinc/12/85/16/427128516.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)n[nH]1 ZINC000329506390 427128522 /nfs/dbraw/zinc/12/85/22/427128522.db2.gz ZOHDPATYAOGCCN-AWEZNQCLSA-N 1 2 319.453 2.972 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329462833 427118204 /nfs/dbraw/zinc/11/82/04/427118204.db2.gz QHMIGPKVHDBPBH-ZDUSSCGKSA-N 1 2 304.390 2.784 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329462833 427118212 /nfs/dbraw/zinc/11/82/12/427118212.db2.gz QHMIGPKVHDBPBH-ZDUSSCGKSA-N 1 2 304.390 2.784 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329479930 427124154 /nfs/dbraw/zinc/12/41/54/427124154.db2.gz CTUKDAACKQYUMJ-BFYDXBDKSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329479930 427124162 /nfs/dbraw/zinc/12/41/62/427124162.db2.gz CTUKDAACKQYUMJ-BFYDXBDKSA-N 1 2 324.465 2.792 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000268816349 427125094 /nfs/dbraw/zinc/12/50/94/427125094.db2.gz ILYMBTJAEOUKGR-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H]1C ZINC000329486054 427126066 /nfs/dbraw/zinc/12/60/66/427126066.db2.gz QYGIOIWZASEDJH-NFAWXSAZSA-N 1 2 320.437 2.532 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249737173 427139468 /nfs/dbraw/zinc/13/94/68/427139468.db2.gz GEAFMGNKQHJMIF-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249737173 427139474 /nfs/dbraw/zinc/13/94/74/427139474.db2.gz GEAFMGNKQHJMIF-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985520 427142853 /nfs/dbraw/zinc/14/28/53/427142853.db2.gz QLEUSSQUJUEBFI-LKBUQDJMSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985520 427142857 /nfs/dbraw/zinc/14/28/57/427142857.db2.gz QLEUSSQUJUEBFI-LKBUQDJMSA-N 1 2 304.459 2.829 20 30 DFEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329572303 427145194 /nfs/dbraw/zinc/14/51/94/427145194.db2.gz UYCNVZYQKMRJEG-CABCVRRESA-N 1 2 320.437 2.597 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000190629424 271214707 /nfs/dbraw/zinc/21/47/07/271214707.db2.gz NWLNSNHGSMTFFY-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000190629424 271214710 /nfs/dbraw/zinc/21/47/10/271214710.db2.gz NWLNSNHGSMTFFY-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(F)c1 ZINC000190737760 427170621 /nfs/dbraw/zinc/17/06/21/427170621.db2.gz IKGGQGJHPGAQLN-QGZVFWFLSA-N 1 2 323.375 2.649 20 30 DFEDLO C[N@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1ccccc1 ZINC000338256528 427218059 /nfs/dbraw/zinc/21/80/59/427218059.db2.gz NUCPWZSNWZGBCI-UHFFFAOYSA-N 1 2 313.323 2.817 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N(CCC#N)c1ccccc1 ZINC000338256528 427218064 /nfs/dbraw/zinc/21/80/64/427218064.db2.gz NUCPWZSNWZGBCI-UHFFFAOYSA-N 1 2 313.323 2.817 20 30 DFEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000269369641 427181051 /nfs/dbraw/zinc/18/10/51/427181051.db2.gz YLBYSILAQGZCAC-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190816490 427183417 /nfs/dbraw/zinc/18/34/17/427183417.db2.gz JQYTZSHBYDJJDE-OAQYLSRUSA-N 1 2 305.378 2.924 20 30 DFEDLO CCn1cc[nH+]c1[C@H](Nc1ncccc1C#N)C1CCOCC1 ZINC000284472335 427191762 /nfs/dbraw/zinc/19/17/62/427191762.db2.gz DROMSUCDHLYPLE-OAHLLOKOSA-N 1 2 311.389 2.749 20 30 DFEDLO C[C@@H]1CN(c2ccc(NCc3ccc(C#N)o3)c[nH+]2)C[C@H](C)O1 ZINC000269424313 427192441 /nfs/dbraw/zinc/19/24/41/427192441.db2.gz MVJAZDKUHYZRKZ-BETUJISGSA-N 1 2 312.373 2.772 20 30 DFEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277464894 427211178 /nfs/dbraw/zinc/21/11/78/427211178.db2.gz OMCKBJDULGACTO-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277464894 427211186 /nfs/dbraw/zinc/21/11/86/427211186.db2.gz OMCKBJDULGACTO-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nncn1C ZINC000285398712 427221853 /nfs/dbraw/zinc/22/18/53/427221853.db2.gz OONYKRIGLZIXKI-CQSZACIVSA-N 1 2 303.797 2.827 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000338266990 427225717 /nfs/dbraw/zinc/22/57/17/427225717.db2.gz BYNGETPCRLKNKF-GOSISDBHSA-N 1 2 323.371 2.793 20 30 DFEDLO COC(C)(C)C[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330401341 427230704 /nfs/dbraw/zinc/23/07/04/427230704.db2.gz OGLQZUZBKYEDGZ-GXTWGEPZSA-N 1 2 322.453 2.776 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)[nH]1 ZINC000269645099 427238959 /nfs/dbraw/zinc/23/89/59/427238959.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)[nH]1 ZINC000269645099 427238966 /nfs/dbraw/zinc/23/89/66/427238966.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000269645099 427238970 /nfs/dbraw/zinc/23/89/70/427238970.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000269645099 427238975 /nfs/dbraw/zinc/23/89/75/427238975.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000269645099 427238981 /nfs/dbraw/zinc/23/89/81/427238981.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000269645099 427238987 /nfs/dbraw/zinc/23/89/87/427238987.db2.gz TWNKNMWMWXEYBQ-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255153302 427243270 /nfs/dbraw/zinc/24/32/70/427243270.db2.gz FBQVURLIQFMHGL-YFHOEESVSA-N 1 2 322.368 2.702 20 30 DFEDLO CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330530704 427259147 /nfs/dbraw/zinc/25/91/47/427259147.db2.gz MBGGPGMKRFGWSH-LLVKDONJSA-N 1 2 318.343 2.981 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000255576943 427279620 /nfs/dbraw/zinc/27/96/20/427279620.db2.gz HOTFCYHGVOZCES-YMYIHSNWSA-N 1 2 318.417 2.702 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000255576943 427279628 /nfs/dbraw/zinc/27/96/28/427279628.db2.gz HOTFCYHGVOZCES-YMYIHSNWSA-N 1 2 318.417 2.702 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@@H+]2CC#Cc2ccc(F)cc2)cn1 ZINC000191185785 427281402 /nfs/dbraw/zinc/28/14/02/427281402.db2.gz JLEZMTZYXSGNTI-QGZVFWFLSA-N 1 2 315.417 2.701 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@H+]2CC#Cc2ccc(F)cc2)cn1 ZINC000191185785 427281407 /nfs/dbraw/zinc/28/14/07/427281407.db2.gz JLEZMTZYXSGNTI-QGZVFWFLSA-N 1 2 315.417 2.701 20 30 DFEDLO Cc1cc(NC(=O)NCC[C@H](C)O)c[nH+]c1N1CCCC[C@@H]1C ZINC000330782377 427301477 /nfs/dbraw/zinc/30/14/77/427301477.db2.gz PLHMFQVBGZHSFO-KBPBESRZSA-N 1 2 320.437 2.866 20 30 DFEDLO CC(C)[C@H](CNC(=O)c1cc(C(C)(C)C)on1)[NH+]1CCOCC1 ZINC000330867403 427311702 /nfs/dbraw/zinc/31/17/02/427311702.db2.gz DFPCTYAHBVVOSN-AWEZNQCLSA-N 1 2 323.437 2.634 20 30 DFEDLO CCC1(CC)CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000331031404 427326657 /nfs/dbraw/zinc/32/66/57/427326657.db2.gz ZSMWSCAFWFZYBJ-OAHLLOKOSA-N 1 2 311.470 2.570 20 30 DFEDLO CCC1(CC)CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000331031404 427326665 /nfs/dbraw/zinc/32/66/65/427326665.db2.gz ZSMWSCAFWFZYBJ-OAHLLOKOSA-N 1 2 311.470 2.570 20 30 DFEDLO C#CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000270352232 427329626 /nfs/dbraw/zinc/32/96/26/427329626.db2.gz PVDSXAKBSQLXIP-GOSISDBHSA-N 1 2 322.412 2.994 20 30 DFEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000271019732 427375979 /nfs/dbraw/zinc/37/59/79/427375979.db2.gz AGBSQIQFSKBCEQ-PBHICJAKSA-N 1 2 322.412 2.992 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000331226167 427376219 /nfs/dbraw/zinc/37/62/19/427376219.db2.gz NGPCESNOTUPQCY-CQSZACIVSA-N 1 2 319.405 2.511 20 30 DFEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)[nH+]1 ZINC000331317077 427399619 /nfs/dbraw/zinc/39/96/19/427399619.db2.gz JNZSJSYRAGFIHK-CYBMUJFWSA-N 1 2 318.421 2.732 20 30 DFEDLO CCC(=O)N[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331352672 427401971 /nfs/dbraw/zinc/40/19/71/427401971.db2.gz ZOJGCNIAPSRLJY-CQSZACIVSA-N 1 2 318.421 2.543 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(C#N)cs2)cn1 ZINC000191742654 427418086 /nfs/dbraw/zinc/41/80/86/427418086.db2.gz RMAOHDNSPHEWST-CQSZACIVSA-N 1 2 304.444 2.643 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(C#N)cs2)cn1 ZINC000191742654 427418096 /nfs/dbraw/zinc/41/80/96/427418096.db2.gz RMAOHDNSPHEWST-CQSZACIVSA-N 1 2 304.444 2.643 20 30 DFEDLO N#Cc1cc2c(nc1NCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000271002991 427366882 /nfs/dbraw/zinc/36/68/82/427366882.db2.gz WJYRSPHMBFTAFA-UHFFFAOYSA-N 1 2 307.401 2.977 20 30 DFEDLO CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1[nH+]ccn1C ZINC000270966662 427368377 /nfs/dbraw/zinc/36/83/77/427368377.db2.gz BMCUFRUOZOQGIK-UHFFFAOYSA-N 1 2 323.318 2.802 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000286205921 427451721 /nfs/dbraw/zinc/45/17/21/427451721.db2.gz MOKMQNFRZZAMDM-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)cc1Cl ZINC000271209581 427453551 /nfs/dbraw/zinc/45/35/51/427453551.db2.gz XSHZCSLVXTUTLB-CYBMUJFWSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)cc1Cl ZINC000271209581 427453556 /nfs/dbraw/zinc/45/35/56/427453556.db2.gz XSHZCSLVXTUTLB-CYBMUJFWSA-N 1 2 322.836 2.957 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)s1 ZINC000271213220 427454704 /nfs/dbraw/zinc/45/47/04/427454704.db2.gz VPMKXUYGDHREDC-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1F ZINC000297923140 427486587 /nfs/dbraw/zinc/48/65/87/427486587.db2.gz XXYQKKFEASPJNL-UHFFFAOYSA-N 1 2 311.307 2.613 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnnn1C1CC1 ZINC000297952524 427491413 /nfs/dbraw/zinc/49/14/13/427491413.db2.gz SZWLFHJSEOESBT-ZDUSSCGKSA-N 1 2 310.405 2.853 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnnn1C1CC1 ZINC000297952524 427491417 /nfs/dbraw/zinc/49/14/17/427491417.db2.gz SZWLFHJSEOESBT-ZDUSSCGKSA-N 1 2 310.405 2.853 20 30 DFEDLO C#CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000271346180 427505601 /nfs/dbraw/zinc/50/56/01/427505601.db2.gz DYLFFJCDXMPOKU-QGZVFWFLSA-N 1 2 313.376 2.958 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278977221 427518302 /nfs/dbraw/zinc/51/83/02/427518302.db2.gz QUBFPDWFSGZHJZ-JGVFFNPUSA-N 1 2 307.341 2.503 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278978585 427522135 /nfs/dbraw/zinc/52/21/35/427522135.db2.gz QUBFPDWFSGZHJZ-YUMQZZPRSA-N 1 2 307.341 2.503 20 30 DFEDLO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000332235144 427553581 /nfs/dbraw/zinc/55/35/81/427553581.db2.gz QRRHRTYPJKKKKO-CYBMUJFWSA-N 1 2 324.833 2.550 20 30 DFEDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000332235144 427553586 /nfs/dbraw/zinc/55/35/86/427553586.db2.gz QRRHRTYPJKKKKO-CYBMUJFWSA-N 1 2 324.833 2.550 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332352008 427587184 /nfs/dbraw/zinc/58/71/84/427587184.db2.gz SRXSXCWNIVJAJQ-NSHDSACASA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332352008 427587190 /nfs/dbraw/zinc/58/71/90/427587190.db2.gz SRXSXCWNIVJAJQ-NSHDSACASA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332352008 427587196 /nfs/dbraw/zinc/58/71/96/427587196.db2.gz SRXSXCWNIVJAJQ-NSHDSACASA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332352008 427587200 /nfs/dbraw/zinc/58/72/00/427587200.db2.gz SRXSXCWNIVJAJQ-NSHDSACASA-N 1 2 318.764 2.680 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000263846535 427589779 /nfs/dbraw/zinc/58/97/79/427589779.db2.gz LFWGBYJHUMZAEM-RHSMWYFYSA-N 1 2 317.458 2.866 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000263846535 427589781 /nfs/dbraw/zinc/58/97/81/427589781.db2.gz LFWGBYJHUMZAEM-RHSMWYFYSA-N 1 2 317.458 2.866 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(OC)c(C#N)c2)CC[S@@]1=O ZINC000185273089 427626869 /nfs/dbraw/zinc/62/68/69/427626869.db2.gz GRVQLJSZVOWRLP-QFIPXVFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(OC)c(C#N)c2)CC[S@@]1=O ZINC000185273089 427626875 /nfs/dbraw/zinc/62/68/75/427626875.db2.gz GRVQLJSZVOWRLP-QFIPXVFZSA-N 1 2 320.458 2.690 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298511038 427634359 /nfs/dbraw/zinc/63/43/59/427634359.db2.gz 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272276540 /nfs/dbraw/zinc/27/65/40/272276540.db2.gz JGZQNFUAKXIFGU-SFHVURJKSA-N 1 2 324.380 2.652 20 30 DFEDLO C=C(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000287961037 427721271 /nfs/dbraw/zinc/72/12/71/427721271.db2.gz HXGLEVBPMLNZEG-QGZVFWFLSA-N 1 2 310.401 2.771 20 30 DFEDLO C=CCN(CC=C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279524690 427694225 /nfs/dbraw/zinc/69/42/25/427694225.db2.gz BKBJMEBQDZYBLU-UHFFFAOYSA-N 1 2 305.328 2.824 20 30 DFEDLO C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000287928598 427717127 /nfs/dbraw/zinc/71/71/27/427717127.db2.gz QQZRHZYAFMZVGK-UWVGGRQHSA-N 1 2 307.810 2.952 20 30 DFEDLO COC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287929444 427717228 /nfs/dbraw/zinc/71/72/28/427717228.db2.gz WQUHWVOOVCOXDH-LLVKDONJSA-N 1 2 309.207 2.789 20 30 DFEDLO COC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287929444 427717234 /nfs/dbraw/zinc/71/72/34/427717234.db2.gz WQUHWVOOVCOXDH-LLVKDONJSA-N 1 2 309.207 2.789 20 30 DFEDLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000336969189 427781407 /nfs/dbraw/zinc/78/14/07/427781407.db2.gz NKUVOWOYGUAZSE-XJKSGUPXSA-N 1 2 324.384 2.701 20 30 DFEDLO COc1ccc([C@H](Nc2cccc(C#N)n2)c2[nH+]ccn2C)cc1 ZINC000301272337 427786043 /nfs/dbraw/zinc/78/60/43/427786043.db2.gz KNFXEOGOGNGHFP-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO COC(=O)N1CCC([C@@H](C)/[NH+]=C/c2cccc(OC)c2O)CC1 ZINC000185917013 427728699 /nfs/dbraw/zinc/72/86/99/427728699.db2.gz FLWRMFMROZMTJC-MBNTZHJCSA-N 1 2 320.389 2.687 20 30 DFEDLO C[C@H]1CN(c2ccc(Nc3cccc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000339215439 427734869 /nfs/dbraw/zinc/73/48/69/427734869.db2.gz AKVMBMIGDADGHI-STQMWFEESA-N 1 2 309.373 2.705 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000194481839 427745271 /nfs/dbraw/zinc/74/52/71/427745271.db2.gz LGCGEUMBMVYZGO-INIZCTEOSA-N 1 2 318.442 2.743 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000194481839 427745273 /nfs/dbraw/zinc/74/52/73/427745273.db2.gz 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427813435 /nfs/dbraw/zinc/81/34/35/427813435.db2.gz ILSVICQEHTUEST-QFIPXVFZSA-N 1 2 313.426 2.944 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000339751699 427822035 /nfs/dbraw/zinc/82/20/35/427822035.db2.gz CCGOXYZACXVQMK-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000339751699 427822036 /nfs/dbraw/zinc/82/20/36/427822036.db2.gz CCGOXYZACXVQMK-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000339757368 427823251 /nfs/dbraw/zinc/82/32/51/427823251.db2.gz QGUARZFFXDCFDE-LLVKDONJSA-N 1 2 314.307 2.867 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000339757368 427823253 /nfs/dbraw/zinc/82/32/53/427823253.db2.gz QGUARZFFXDCFDE-LLVKDONJSA-N 1 2 314.307 2.867 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000339760954 427824252 /nfs/dbraw/zinc/82/42/52/427824252.db2.gz YDDLIULXXAYEHI-GOSISDBHSA-N 1 2 314.429 2.704 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000339760954 427824254 /nfs/dbraw/zinc/82/42/54/427824254.db2.gz YDDLIULXXAYEHI-GOSISDBHSA-N 1 2 314.429 2.704 20 30 DFEDLO Cc1cc(NC[C@H](O)c2c(F)cccc2F)c(C#N)c(C)[nH+]1 ZINC000301796779 427825100 /nfs/dbraw/zinc/82/51/00/427825100.db2.gz UBPZCOXCRGFNLE-HNNXBMFYSA-N 1 2 303.312 2.994 20 30 DFEDLO CC#CC[N@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000339766851 427825339 /nfs/dbraw/zinc/82/53/39/427825339.db2.gz USHHYFRJYRTGDY-AWEZNQCLSA-N 1 2 321.218 2.510 20 30 DFEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000339766851 427825341 /nfs/dbraw/zinc/82/53/41/427825341.db2.gz USHHYFRJYRTGDY-AWEZNQCLSA-N 1 2 321.218 2.510 20 30 DFEDLO Cc1cc(NCCNC(=O)c2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000301797270 427825600 /nfs/dbraw/zinc/82/56/00/427825600.db2.gz UGUDENYPFDXTGG-UHFFFAOYSA-N 1 2 312.348 2.551 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339774155 427826971 /nfs/dbraw/zinc/82/69/71/427826971.db2.gz DWTGXMWGOOGLMW-QGZVFWFLSA-N 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/nfs/dbraw/zinc/99/01/16/427990116.db2.gz LXGJJJBJZXNDFT-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346025810 427990121 /nfs/dbraw/zinc/99/01/21/427990121.db2.gz LXGJJJBJZXNDFT-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO CC#CC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337502662 427934465 /nfs/dbraw/zinc/93/44/65/427934465.db2.gz CBBDHBYTZXDZHN-UHFFFAOYSA-N 1 2 313.228 2.955 20 30 DFEDLO CC#CC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337502662 427934469 /nfs/dbraw/zinc/93/44/69/427934469.db2.gz CBBDHBYTZXDZHN-UHFFFAOYSA-N 1 2 313.228 2.955 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)o1)c1ccccc1F ZINC000369674753 428033716 /nfs/dbraw/zinc/03/37/16/428033716.db2.gz ZARDRSVSLGTKOP-MRXNPFEDSA-N 1 2 310.332 2.903 20 30 DFEDLO CN(C)c1nccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000341134380 427999122 /nfs/dbraw/zinc/99/91/22/427999122.db2.gz KFFVLDNPZRJMML-MSOLQXFVSA-N 1 2 321.428 2.814 20 30 DFEDLO 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/nfs/dbraw/zinc/22/84/44/428228444.db2.gz MYHKIOVYUNIJHY-UHFFFAOYSA-N 1 2 315.808 2.700 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cn1 ZINC000360266965 428228447 /nfs/dbraw/zinc/22/84/47/428228447.db2.gz MYHKIOVYUNIJHY-UHFFFAOYSA-N 1 2 315.808 2.700 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000356470367 428193965 /nfs/dbraw/zinc/19/39/65/428193965.db2.gz GCBRSOPZQBPJMH-RBSFLKMASA-N 1 2 317.433 2.742 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000356470367 428193974 /nfs/dbraw/zinc/19/39/74/428193974.db2.gz GCBRSOPZQBPJMH-RBSFLKMASA-N 1 2 317.433 2.742 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000356470360 428194944 /nfs/dbraw/zinc/19/49/44/428194944.db2.gz GCBRSOPZQBPJMH-ILXRZTDVSA-N 1 2 317.433 2.742 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000356470360 428194949 /nfs/dbraw/zinc/19/49/49/428194949.db2.gz GCBRSOPZQBPJMH-ILXRZTDVSA-N 1 2 317.433 2.742 20 30 DFEDLO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CC2)nnc1C1CCC1 ZINC000341972519 428264214 /nfs/dbraw/zinc/26/42/14/428264214.db2.gz FRZZECDBGMHMNP-UHFFFAOYSA-N 1 2 307.401 2.733 20 30 DFEDLO N#Cc1csc(CNC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000352822035 428266771 /nfs/dbraw/zinc/26/67/71/428266771.db2.gz IVGRSPQOFKAXON-CQSZACIVSA-N 1 2 316.430 2.925 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CCO2 ZINC000352829898 428267357 /nfs/dbraw/zinc/26/73/57/428267357.db2.gz ILFKCLFFXZISHN-UHFFFAOYSA-N 1 2 321.380 2.700 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CCO2 ZINC000352829898 428267361 /nfs/dbraw/zinc/26/73/61/428267361.db2.gz ILFKCLFFXZISHN-UHFFFAOYSA-N 1 2 321.380 2.700 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)n1 ZINC000352874054 428289661 /nfs/dbraw/zinc/28/96/61/428289661.db2.gz URQWXOFRNRZKLL-UHFFFAOYSA-N 1 2 305.790 2.893 20 30 DFEDLO CCC(CC)[C@@H](C(=O)NCC(C)(C)CCC#N)[NH+]1CCOCC1 ZINC000360425702 428290952 /nfs/dbraw/zinc/29/09/52/428290952.db2.gz PRHQARYZYTUUQS-INIZCTEOSA-N 1 2 323.481 2.570 20 30 DFEDLO C=CC[C@H](CO)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000342166425 428328979 /nfs/dbraw/zinc/32/89/79/428328979.db2.gz SSOFTGPADVUVOS-AWEZNQCLSA-N 1 2 312.369 2.788 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccnc(C#N)c1 ZINC000342295788 428390345 /nfs/dbraw/zinc/39/03/45/428390345.db2.gz OYNWSPLRZRGXDT-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000353162750 428411703 /nfs/dbraw/zinc/41/17/03/428411703.db2.gz BHRLEAJYBJMQNV-MNOVXSKESA-N 1 2 318.339 2.742 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000353162750 428411706 /nfs/dbraw/zinc/41/17/06/428411706.db2.gz BHRLEAJYBJMQNV-MNOVXSKESA-N 1 2 318.339 2.742 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC#N)c2C1 ZINC000342624672 428436005 /nfs/dbraw/zinc/43/60/05/428436005.db2.gz AEEJJMHUTBHNIO-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC#N)c2C1 ZINC000342624672 428436010 /nfs/dbraw/zinc/43/60/10/428436010.db2.gz AEEJJMHUTBHNIO-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO Cn1cccc1C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372416548 428445668 /nfs/dbraw/zinc/44/56/68/428445668.db2.gz PBYHNSBTFUHJFY-UHFFFAOYSA-N 1 2 305.381 2.869 20 30 DFEDLO Cn1cccc1C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372416548 428445676 /nfs/dbraw/zinc/44/56/76/428445676.db2.gz PBYHNSBTFUHJFY-UHFFFAOYSA-N 1 2 305.381 2.869 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@](C)(C#N)CC)CC2)s1 ZINC000353265293 428458660 /nfs/dbraw/zinc/45/86/60/428458660.db2.gz XGPPDNJVFIXPFD-QGZVFWFLSA-N 1 2 319.474 2.895 20 30 DFEDLO Cc1oc2ccccc2c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342462717 428429492 /nfs/dbraw/zinc/42/94/92/428429492.db2.gz ZRWDSPGPBJMRRP-GOSISDBHSA-N 1 2 319.364 2.929 20 30 DFEDLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000372341416 428433068 /nfs/dbraw/zinc/43/30/68/428433068.db2.gz BSVBGFMCTKYMNO-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000372341416 428433074 /nfs/dbraw/zinc/43/30/74/428433074.db2.gz BSVBGFMCTKYMNO-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000357315298 428479938 /nfs/dbraw/zinc/47/99/38/428479938.db2.gz NFJJZQVSFVETOX-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017830 428512136 /nfs/dbraw/zinc/51/21/36/428512136.db2.gz GPJOUPWKPBDIAS-IVZQSRNASA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017830 428512140 /nfs/dbraw/zinc/51/21/40/428512140.db2.gz GPJOUPWKPBDIAS-IVZQSRNASA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cccnc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000357305823 428476319 /nfs/dbraw/zinc/47/63/19/428476319.db2.gz AALNUFQBZUSJBC-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)OC ZINC000361108204 428537311 /nfs/dbraw/zinc/53/73/11/428537311.db2.gz JUTIAYGPQWNZGA-AOIWGVFYSA-N 1 2 317.429 2.831 20 30 DFEDLO Cc1cccc2[nH+]c(CNc3ncc(Cl)c(C)c3C#N)cn21 ZINC000343484793 428549625 /nfs/dbraw/zinc/54/96/25/428549625.db2.gz ZXBOLXWCMODLEO-UHFFFAOYSA-N 1 2 311.776 3.483 20 30 DFEDLO CCN(CCC#N)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000357606056 428550237 /nfs/dbraw/zinc/55/02/37/428550237.db2.gz RZVJPZBJKOHEGL-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO CCN(CCC#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000357606056 428550238 /nfs/dbraw/zinc/55/02/38/428550238.db2.gz RZVJPZBJKOHEGL-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO N#CCN1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000361321807 428557783 /nfs/dbraw/zinc/55/77/83/428557783.db2.gz QNYULOPXZVTQID-UHFFFAOYSA-N 1 2 319.836 2.770 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000353489997 428561551 /nfs/dbraw/zinc/56/15/51/428561551.db2.gz DHQHEGIAARFVIO-GOSISDBHSA-N 1 2 310.401 2.830 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000343716298 428565490 /nfs/dbraw/zinc/56/54/90/428565490.db2.gz CMOJCYYEHSNLCR-LJQANCHMSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CCOCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000348047958 428636781 /nfs/dbraw/zinc/63/67/81/428636781.db2.gz GMZKEXFJGMLRGM-CQSZACIVSA-N 1 2 309.431 2.614 20 30 DFEDLO C=CCOCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000348047958 428636784 /nfs/dbraw/zinc/63/67/84/428636784.db2.gz GMZKEXFJGMLRGM-CQSZACIVSA-N 1 2 309.431 2.614 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112462 428638959 /nfs/dbraw/zinc/63/89/59/428638959.db2.gz FXIHCLRSDBXMAX-ZIAGYGMSSA-N 1 2 307.438 2.896 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112462 428638964 /nfs/dbraw/zinc/63/89/64/428638964.db2.gz FXIHCLRSDBXMAX-ZIAGYGMSSA-N 1 2 307.438 2.896 20 30 DFEDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cnn1C ZINC000348197013 428651393 /nfs/dbraw/zinc/65/13/93/428651393.db2.gz AVPRUYJIUUEVHA-LLVKDONJSA-N 1 2 322.372 2.501 20 30 DFEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000373804434 428649563 /nfs/dbraw/zinc/64/95/63/428649563.db2.gz IKMHKANSHISFOG-QZTJIDSGSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000373804434 428649569 /nfs/dbraw/zinc/64/95/69/428649569.db2.gz IKMHKANSHISFOG-QZTJIDSGSA-N 1 2 319.832 2.961 20 30 DFEDLO N#CC1(CCC[N@@H+]2CCOC[C@@H]2c2ccco2)CCOCC1 ZINC000374061310 428659830 /nfs/dbraw/zinc/65/98/30/428659830.db2.gz LYHZAQSVEQCZLE-OAHLLOKOSA-N 1 2 304.390 2.753 20 30 DFEDLO N#CC1(CCC[N@H+]2CCOC[C@@H]2c2ccco2)CCOCC1 ZINC000374061310 428659835 /nfs/dbraw/zinc/65/98/35/428659835.db2.gz LYHZAQSVEQCZLE-OAHLLOKOSA-N 1 2 304.390 2.753 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374367746 428675714 /nfs/dbraw/zinc/67/57/14/428675714.db2.gz XBPNARHRJSKEEV-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374367746 428675720 /nfs/dbraw/zinc/67/57/20/428675720.db2.gz XBPNARHRJSKEEV-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374362648 428676283 /nfs/dbraw/zinc/67/62/83/428676283.db2.gz RTHVCOBMAUDNMX-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374362648 428676286 /nfs/dbraw/zinc/67/62/86/428676286.db2.gz RTHVCOBMAUDNMX-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000374297602 428672650 /nfs/dbraw/zinc/67/26/50/428672650.db2.gz ZMSMWHUBOQKDFQ-GOSISDBHSA-N 1 2 317.408 2.628 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000374297602 428672656 /nfs/dbraw/zinc/67/26/56/428672656.db2.gz ZMSMWHUBOQKDFQ-GOSISDBHSA-N 1 2 317.408 2.628 20 30 DFEDLO N#CC1(C[N@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000362248243 428675541 /nfs/dbraw/zinc/67/55/41/428675541.db2.gz CCHMMQVZBJFWDV-UHFFFAOYSA-N 1 2 315.236 2.609 20 30 DFEDLO N#CC1(C[N@@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000362248243 428675544 /nfs/dbraw/zinc/67/55/44/428675544.db2.gz CCHMMQVZBJFWDV-UHFFFAOYSA-N 1 2 315.236 2.609 20 30 DFEDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000374618863 428715298 /nfs/dbraw/zinc/71/52/98/428715298.db2.gz MSNWBGZFAUIOFB-SFHVURJKSA-N 1 2 313.401 2.567 20 30 DFEDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000374618863 428715301 /nfs/dbraw/zinc/71/53/01/428715301.db2.gz MSNWBGZFAUIOFB-SFHVURJKSA-N 1 2 313.401 2.567 20 30 DFEDLO Cn1ncc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1C#N ZINC000353822092 428734187 /nfs/dbraw/zinc/73/41/87/428734187.db2.gz DXFCXRRHBODHAC-UHFFFAOYSA-N 1 2 322.372 2.718 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802082 428724086 /nfs/dbraw/zinc/72/40/86/428724086.db2.gz HJQOXKIEDVFEKW-HLFMIMNKSA-N 1 2 320.458 2.710 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802082 428724091 /nfs/dbraw/zinc/72/40/91/428724091.db2.gz HJQOXKIEDVFEKW-HLFMIMNKSA-N 1 2 320.458 2.710 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccccc1C#N ZINC000344585495 428679696 /nfs/dbraw/zinc/67/96/96/428679696.db2.gz PZZFEZBWSAUQHL-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000344585495 428679699 /nfs/dbraw/zinc/67/96/99/428679699.db2.gz PZZFEZBWSAUQHL-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(Cl)c(C#N)n1)CCC2 ZINC000374435466 428679832 /nfs/dbraw/zinc/67/98/32/428679832.db2.gz FWPVRBRZLFWAPL-LLVKDONJSA-N 1 2 301.781 3.101 20 30 DFEDLO N#CCC[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccccn1 ZINC000358805211 428683662 /nfs/dbraw/zinc/68/36/62/428683662.db2.gz KDXUQJSIHVSURQ-QGZVFWFLSA-N 1 2 303.406 2.731 20 30 DFEDLO N#CCC[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccccn1 ZINC000358805211 428683666 /nfs/dbraw/zinc/68/36/66/428683666.db2.gz KDXUQJSIHVSURQ-QGZVFWFLSA-N 1 2 303.406 2.731 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374877583 428773321 /nfs/dbraw/zinc/77/33/21/428773321.db2.gz OLTJVEQECMRDSJ-CZUORRHYSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362518113 428783012 /nfs/dbraw/zinc/78/30/12/428783012.db2.gz GVFNXWOZKNSXOI-LJQANCHMSA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362518113 428783019 /nfs/dbraw/zinc/78/30/19/428783019.db2.gz GVFNXWOZKNSXOI-LJQANCHMSA-N 1 2 317.429 2.879 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000362624067 428793802 /nfs/dbraw/zinc/79/38/02/428793802.db2.gz QVUBOKACTQFWDW-WBVHZDCISA-N 1 2 317.433 2.525 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(CCC)c1)Cc1ccc(CO)o1 ZINC000348645726 428806067 /nfs/dbraw/zinc/80/60/67/428806067.db2.gz OWJDVEWORNPYKN-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(CCC)c1)Cc1ccc(CO)o1 ZINC000348645726 428806072 /nfs/dbraw/zinc/80/60/72/428806072.db2.gz OWJDVEWORNPYKN-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2ncnn2CC(F)F)cc1 ZINC000362968621 428826541 /nfs/dbraw/zinc/82/65/41/428826541.db2.gz AYXDHKNRXQZRIW-UHFFFAOYSA-N 1 2 322.359 2.740 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2ncnn2CC(F)F)cc1 ZINC000362968621 428826544 /nfs/dbraw/zinc/82/65/44/428826544.db2.gz AYXDHKNRXQZRIW-UHFFFAOYSA-N 1 2 322.359 2.740 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000375228657 428826915 /nfs/dbraw/zinc/82/69/15/428826915.db2.gz JZWAJURFIGXMGH-CZUORRHYSA-N 1 2 306.369 2.664 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363403945 428910625 /nfs/dbraw/zinc/91/06/25/428910625.db2.gz GWBSKYASVQHTQG-AWEZNQCLSA-N 1 2 309.373 2.887 20 30 DFEDLO CC#CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000349008365 428898244 /nfs/dbraw/zinc/89/82/44/428898244.db2.gz OCASYVRXZPLZCI-ZDUSSCGKSA-N 1 2 320.462 2.910 20 30 DFEDLO CC#CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000349008365 428898247 /nfs/dbraw/zinc/89/82/47/428898247.db2.gz OCASYVRXZPLZCI-ZDUSSCGKSA-N 1 2 320.462 2.910 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278778 428928570 /nfs/dbraw/zinc/92/85/70/428928570.db2.gz HQCGTZRFISRQPI-CXAGYDPISA-N 1 2 314.385 2.658 20 30 DFEDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000419234652 428929307 /nfs/dbraw/zinc/92/93/07/428929307.db2.gz IFJRSOMHOTWGMJ-NHYWBVRUSA-N 1 2 315.398 2.655 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000349292932 428956868 /nfs/dbraw/zinc/95/68/68/428956868.db2.gz XSQDIPICSJAMTG-AWEZNQCLSA-N 1 2 313.336 2.704 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354897065 429017759 /nfs/dbraw/zinc/01/77/59/429017759.db2.gz LVIKDCVUBIYTMI-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354897065 429017762 /nfs/dbraw/zinc/01/77/62/429017762.db2.gz LVIKDCVUBIYTMI-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO Cc1nc([C@@](C)([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)no1 ZINC000433303407 429021609 /nfs/dbraw/zinc/02/16/09/429021609.db2.gz LCIHMPNOUMAYLQ-INIZCTEOSA-N 1 2 300.337 2.804 20 30 DFEDLO N#Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1F ZINC000421341874 428989434 /nfs/dbraw/zinc/98/94/34/428989434.db2.gz MGQIHCHZLGAYLM-UHFFFAOYSA-N 1 2 317.389 2.930 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843693 428994355 /nfs/dbraw/zinc/99/43/55/428994355.db2.gz GQPRTHAOPWKIEI-DZGCQCFKSA-N 1 2 313.401 2.758 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843693 428994360 /nfs/dbraw/zinc/99/43/60/428994360.db2.gz GQPRTHAOPWKIEI-DZGCQCFKSA-N 1 2 313.401 2.758 20 30 DFEDLO N#Cc1cc(F)cc(C2(C(=O)Nc3c[nH+]c4n3CCCC4)CC2)c1 ZINC000452333454 429095691 /nfs/dbraw/zinc/09/56/91/429095691.db2.gz QGTACUFFRHVQKG-UHFFFAOYSA-N 1 2 324.359 2.900 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000452955985 429143565 /nfs/dbraw/zinc/14/35/65/429143565.db2.gz OJFPYKSQHZUVLS-CVEARBPZSA-N 1 2 322.836 2.622 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000452955985 429143570 /nfs/dbraw/zinc/14/35/70/429143570.db2.gz OJFPYKSQHZUVLS-CVEARBPZSA-N 1 2 322.836 2.622 20 30 DFEDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1C#N ZINC000453613534 429152221 /nfs/dbraw/zinc/15/22/21/429152221.db2.gz MTFPHGAIOQOHIR-UHFFFAOYSA-N 1 2 312.417 2.557 20 30 DFEDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1C#N ZINC000453613534 429152225 /nfs/dbraw/zinc/15/22/25/429152225.db2.gz MTFPHGAIOQOHIR-UHFFFAOYSA-N 1 2 312.417 2.557 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCCCn1cc[nH+]c1 ZINC000413041990 429126910 /nfs/dbraw/zinc/12/69/10/429126910.db2.gz XPKSLQIBHAKLSI-QGZVFWFLSA-N 1 2 312.417 2.760 20 30 DFEDLO C=C(C)CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000454640225 429169281 /nfs/dbraw/zinc/16/92/81/429169281.db2.gz JPMPLSXIJCFAGX-AWEZNQCLSA-N 1 2 311.376 2.833 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454754763 429172346 /nfs/dbraw/zinc/17/23/46/429172346.db2.gz SHUWGDRGEFQGIC-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454754763 429172351 /nfs/dbraw/zinc/17/23/51/429172351.db2.gz SHUWGDRGEFQGIC-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000424665057 429173202 /nfs/dbraw/zinc/17/32/02/429173202.db2.gz KYBIBRNKNALJTR-HNNXBMFYSA-N 1 2 301.434 2.889 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488456922 429180283 /nfs/dbraw/zinc/18/02/83/429180283.db2.gz HHBXOVZVCRVMPK-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488456922 429180287 /nfs/dbraw/zinc/18/02/87/429180287.db2.gz HHBXOVZVCRVMPK-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000455559436 429192232 /nfs/dbraw/zinc/19/22/32/429192232.db2.gz OGHQVYOAWMKXRK-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445482 429219240 /nfs/dbraw/zinc/21/92/40/429219240.db2.gz VRJFTUTWSKVTDL-LLVKDONJSA-N 1 2 307.825 2.947 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445482 429219245 /nfs/dbraw/zinc/21/92/45/429219245.db2.gz VRJFTUTWSKVTDL-LLVKDONJSA-N 1 2 307.825 2.947 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000439458402 429219391 /nfs/dbraw/zinc/21/93/91/429219391.db2.gz TWCMJLLMBGKFJG-OIISXLGYSA-N 1 2 320.820 2.980 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000439458402 429219392 /nfs/dbraw/zinc/21/93/92/429219392.db2.gz TWCMJLLMBGKFJG-OIISXLGYSA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000440898615 429227837 /nfs/dbraw/zinc/22/78/37/429227837.db2.gz YNDHSKYVYLVJIM-CQSZACIVSA-N 1 2 323.396 2.993 20 30 DFEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000440898615 429227842 /nfs/dbraw/zinc/22/78/42/429227842.db2.gz YNDHSKYVYLVJIM-CQSZACIVSA-N 1 2 323.396 2.993 20 30 DFEDLO C=CC[N@H+](Cc1ncc(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315934 429228949 /nfs/dbraw/zinc/22/89/49/429228949.db2.gz CVPMXQOHSQVEAG-AWEZNQCLSA-N 1 2 324.388 2.708 20 30 DFEDLO C=CC[N@@H+](Cc1ncc(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315934 429228954 /nfs/dbraw/zinc/22/89/54/429228954.db2.gz CVPMXQOHSQVEAG-AWEZNQCLSA-N 1 2 324.388 2.708 20 30 DFEDLO C[C@@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495878522 429284944 /nfs/dbraw/zinc/28/49/44/429284944.db2.gz XASHKJCKJNXHMH-ZIAGYGMSSA-N 1 2 307.438 2.867 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1F ZINC000365252853 429289574 /nfs/dbraw/zinc/28/95/74/429289574.db2.gz CIEHDZXCJLRFHH-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1F ZINC000365252853 429289577 /nfs/dbraw/zinc/28/95/77/429289577.db2.gz CIEHDZXCJLRFHH-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000489444329 429243102 /nfs/dbraw/zinc/24/31/02/429243102.db2.gz WYFVXGSHOFAUDG-OAHLLOKOSA-N 1 2 324.432 3.046 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000489444329 429243105 /nfs/dbraw/zinc/24/31/05/429243105.db2.gz WYFVXGSHOFAUDG-OAHLLOKOSA-N 1 2 324.432 3.046 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)OCC ZINC000489459334 429243842 /nfs/dbraw/zinc/24/38/42/429243842.db2.gz SQUWWIGWAZEOMC-AWEZNQCLSA-N 1 2 316.401 2.842 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)OCC ZINC000489459334 429243843 /nfs/dbraw/zinc/24/38/43/429243843.db2.gz SQUWWIGWAZEOMC-AWEZNQCLSA-N 1 2 316.401 2.842 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000489497909 429246671 /nfs/dbraw/zinc/24/66/71/429246671.db2.gz LMRMYMBGODVZRZ-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000489497909 429246675 /nfs/dbraw/zinc/24/66/75/429246675.db2.gz LMRMYMBGODVZRZ-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO Cc1cc(NCc2ccc(NC(=O)C(C)C)cc2)c(C#N)c[nH+]1 ZINC000425208526 429247277 /nfs/dbraw/zinc/24/72/77/429247277.db2.gz MYMSQUMGBNUOBX-UHFFFAOYSA-N 1 2 308.385 2.890 20 30 DFEDLO Cc1cc(N2CCC(c3nncn3C3CC3)CC2)c(C#N)c[nH+]1 ZINC000425225468 429248239 /nfs/dbraw/zinc/24/82/39/429248239.db2.gz GEYIIVPSOROVFM-UHFFFAOYSA-N 1 2 308.389 2.572 20 30 DFEDLO Cc1cc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425223375 429248367 /nfs/dbraw/zinc/24/83/67/429248367.db2.gz IJWYIEAEKKJAQU-MRXNPFEDSA-N 1 2 310.376 2.904 20 30 DFEDLO Cc1cc(NCc2cc(COC(C)(C)C)on2)c(C#N)c[nH+]1 ZINC000425245009 429251905 /nfs/dbraw/zinc/25/19/05/429251905.db2.gz TUAOEDPIZQPARQ-UHFFFAOYSA-N 1 2 300.362 2.599 20 30 DFEDLO Cc1cc(N2CCC[C@](CO)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425260856 429253789 /nfs/dbraw/zinc/25/37/89/429253789.db2.gz PPESTEXWDXTHDX-IBGZPJMESA-N 1 2 307.397 2.792 20 30 DFEDLO Cc1ccc2nc(C[N@@H+](CCC#N)CCC(C)C)cc(=O)n2c1 ZINC000444232387 429268157 /nfs/dbraw/zinc/26/81/57/429268157.db2.gz QHYUOVLYWREQIR-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1ccc2nc(C[N@H+](CCC#N)CCC(C)C)cc(=O)n2c1 ZINC000444232387 429268160 /nfs/dbraw/zinc/26/81/60/429268160.db2.gz QHYUOVLYWREQIR-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000495815122 429271302 /nfs/dbraw/zinc/27/13/02/429271302.db2.gz WSQOTFPMZUNMOK-MRXNPFEDSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000495815122 429271306 /nfs/dbraw/zinc/27/13/06/429271306.db2.gz WSQOTFPMZUNMOK-MRXNPFEDSA-N 1 2 319.380 2.798 20 30 DFEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000425374677 429279953 /nfs/dbraw/zinc/27/99/53/429279953.db2.gz QIFURXYQHAQRPI-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1OC ZINC000365440714 429318293 /nfs/dbraw/zinc/31/82/93/429318293.db2.gz DKFUINUUJQNNER-RCDICMHDSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1OC ZINC000365440714 429318295 /nfs/dbraw/zinc/31/82/95/429318295.db2.gz DKFUINUUJQNNER-RCDICMHDSA-N 1 2 323.458 2.603 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000491180954 429331843 /nfs/dbraw/zinc/33/18/43/429331843.db2.gz PGBDFWXVNGXFNW-UHFFFAOYSA-N 1 2 323.421 2.700 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000491180954 429331847 /nfs/dbraw/zinc/33/18/47/429331847.db2.gz PGBDFWXVNGXFNW-UHFFFAOYSA-N 1 2 323.421 2.700 20 30 DFEDLO C#C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491181801 429332130 /nfs/dbraw/zinc/33/21/30/429332130.db2.gz VYEZLSBZVQEDKE-CYBMUJFWSA-N 1 2 319.767 2.971 20 30 DFEDLO C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449119560 429336067 /nfs/dbraw/zinc/33/60/67/429336067.db2.gz AAMBMLPKNDDUDS-UHFFFAOYSA-N 1 2 316.445 2.978 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491254216 429339340 /nfs/dbraw/zinc/33/93/40/429339340.db2.gz RGGFVUNVCMZHCG-JTQLQIEISA-N 1 2 300.324 2.803 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491254216 429339343 /nfs/dbraw/zinc/33/93/43/429339343.db2.gz RGGFVUNVCMZHCG-JTQLQIEISA-N 1 2 300.324 2.803 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000491253413 429340486 /nfs/dbraw/zinc/34/04/86/429340486.db2.gz NQHRMVQSXHAWTI-AWEZNQCLSA-N 1 2 322.412 2.642 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000491253413 429340492 /nfs/dbraw/zinc/34/04/92/429340492.db2.gz NQHRMVQSXHAWTI-AWEZNQCLSA-N 1 2 322.412 2.642 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCc1ccc(C#N)cc1 ZINC000365348284 429304049 /nfs/dbraw/zinc/30/40/49/429304049.db2.gz WFYOFHMQCZEQTO-UHFFFAOYSA-N 1 2 322.412 2.682 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841667 429306836 /nfs/dbraw/zinc/30/68/36/429306836.db2.gz YMKVRDNGEWGYOI-IIYDPXPESA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841667 429306839 /nfs/dbraw/zinc/30/68/39/429306839.db2.gz YMKVRDNGEWGYOI-IIYDPXPESA-N 1 2 320.820 2.980 20 30 DFEDLO N#CCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813204 429308063 /nfs/dbraw/zinc/30/80/63/429308063.db2.gz QIGNKYCGCZCLNV-UHFFFAOYSA-N 1 2 318.377 2.533 20 30 DFEDLO Cc1cc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496354634 429313079 /nfs/dbraw/zinc/31/30/79/429313079.db2.gz CADCYRNCQBYFDR-SMDDNHRTSA-N 1 2 316.405 2.611 20 30 DFEDLO C[C@H](C[N@H+](C)CC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449341682 429393392 /nfs/dbraw/zinc/39/33/92/429393392.db2.gz VTMDWJFXBJHWAD-CYBMUJFWSA-N 1 2 308.447 2.675 20 30 DFEDLO C[C@H](C[N@@H+](C)CC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449341682 429393397 /nfs/dbraw/zinc/39/33/97/429393397.db2.gz VTMDWJFXBJHWAD-CYBMUJFWSA-N 1 2 308.447 2.675 20 30 DFEDLO Cc1cccn2cc(CNC(=O)/C=C\c3cccc(C#N)c3)[nH+]c12 ZINC000491727622 429396741 /nfs/dbraw/zinc/39/67/41/429396741.db2.gz DDMQPPNURONJEG-FPLPWBNLSA-N 1 2 316.364 2.844 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491765505 429405367 /nfs/dbraw/zinc/40/53/67/429405367.db2.gz CFWJDYCDZYRCRH-HNNXBMFYSA-N 1 2 310.401 2.809 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766436 429405842 /nfs/dbraw/zinc/40/58/42/429405842.db2.gz HAFWIVKMLJCEDF-OCCSQVGLSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766436 429405847 /nfs/dbraw/zinc/40/58/47/429405847.db2.gz HAFWIVKMLJCEDF-OCCSQVGLSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491777992 429407482 /nfs/dbraw/zinc/40/74/82/429407482.db2.gz YAKKYGUNFKFCKC-QGZVFWFLSA-N 1 2 310.401 2.533 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365679161 429359402 /nfs/dbraw/zinc/35/94/02/429359402.db2.gz LAFZNWQVVGDTMW-RYQLBKOJSA-N 1 2 313.445 2.919 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365679161 429359404 /nfs/dbraw/zinc/35/94/04/429359404.db2.gz LAFZNWQVVGDTMW-RYQLBKOJSA-N 1 2 313.445 2.919 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000491657974 429386165 /nfs/dbraw/zinc/38/61/65/429386165.db2.gz KUQOUKOCWINNGU-HNNXBMFYSA-N 1 2 304.438 2.669 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(Cl)cs2)n1 ZINC000491660034 429386818 /nfs/dbraw/zinc/38/68/18/429386818.db2.gz MDYDMTWJCCQDLK-UHFFFAOYSA-N 1 2 323.849 2.880 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(Cl)cs2)n1 ZINC000491660034 429386822 /nfs/dbraw/zinc/38/68/22/429386822.db2.gz MDYDMTWJCCQDLK-UHFFFAOYSA-N 1 2 323.849 2.880 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449526221 429443066 /nfs/dbraw/zinc/44/30/66/429443066.db2.gz DGNYWTOLKUWPQP-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449526221 429443069 /nfs/dbraw/zinc/44/30/69/429443069.db2.gz DGNYWTOLKUWPQP-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000449525931 429443846 /nfs/dbraw/zinc/44/38/46/429443846.db2.gz CSSNVNWVBHALPL-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000449525931 429443850 /nfs/dbraw/zinc/44/38/50/429443850.db2.gz CSSNVNWVBHALPL-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO N#Cc1cc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)ccc1F ZINC000366438893 429453144 /nfs/dbraw/zinc/45/31/44/429453144.db2.gz MUPPIGHHDANMLO-NSHDSACASA-N 1 2 313.336 2.593 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000491810643 429413560 /nfs/dbraw/zinc/41/35/60/429413560.db2.gz ABKLQGZXYQUGMX-VIFPVBQESA-N 1 2 316.735 2.833 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000491810643 429413564 /nfs/dbraw/zinc/41/35/64/429413564.db2.gz ABKLQGZXYQUGMX-VIFPVBQESA-N 1 2 316.735 2.833 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366156523 429427098 /nfs/dbraw/zinc/42/70/98/429427098.db2.gz FZRVNYQQGMCVQI-DUMMIQTOSA-N 1 2 319.364 2.646 20 30 DFEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cn1 ZINC000519642995 429475476 /nfs/dbraw/zinc/47/54/76/429475476.db2.gz HHWZCSLTOLCTJF-UHFFFAOYSA-N 1 2 314.433 2.566 20 30 DFEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cn1 ZINC000519642995 429475480 /nfs/dbraw/zinc/47/54/80/429475480.db2.gz HHWZCSLTOLCTJF-UHFFFAOYSA-N 1 2 314.433 2.566 20 30 DFEDLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000519743508 429483904 /nfs/dbraw/zinc/48/39/04/429483904.db2.gz SCFPXJIZEOGADL-IAGOWNOFSA-N 1 2 309.417 2.878 20 30 DFEDLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000519743508 429483906 /nfs/dbraw/zinc/48/39/06/429483906.db2.gz SCFPXJIZEOGADL-IAGOWNOFSA-N 1 2 309.417 2.878 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000519785740 429488314 /nfs/dbraw/zinc/48/83/14/429488314.db2.gz BEWKMUAZYVHOSI-LLVKDONJSA-N 1 2 315.402 2.655 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000519785740 429488320 /nfs/dbraw/zinc/48/83/20/429488320.db2.gz BEWKMUAZYVHOSI-LLVKDONJSA-N 1 2 315.402 2.655 20 30 DFEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428250600 429503648 /nfs/dbraw/zinc/50/36/48/429503648.db2.gz WVOIPVXUTAWTDZ-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428250600 429503652 /nfs/dbraw/zinc/50/36/52/429503652.db2.gz WVOIPVXUTAWTDZ-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO N#Cc1ccnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1Cl ZINC000429211900 429586669 /nfs/dbraw/zinc/58/66/69/429586669.db2.gz ZBXOPSIENJHWLZ-LBPRGKRZSA-N 1 2 313.792 2.940 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000521064568 429537027 /nfs/dbraw/zinc/53/70/27/429537027.db2.gz FCBNALVYWLSHGF-LBPRGKRZSA-N 1 2 312.373 2.886 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000521064568 429537032 /nfs/dbraw/zinc/53/70/32/429537032.db2.gz FCBNALVYWLSHGF-LBPRGKRZSA-N 1 2 312.373 2.886 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492780949 429615221 /nfs/dbraw/zinc/61/52/21/429615221.db2.gz HJBQLIGKLROGTQ-BQYQJAHWSA-N 1 2 309.373 2.858 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492830663 429625184 /nfs/dbraw/zinc/62/51/84/429625184.db2.gz DDOGSHFKBYPCRF-WFTPILKQSA-N 1 2 307.397 2.667 20 30 DFEDLO C=CCC[C@H](c1ccco1)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367604431 429683043 /nfs/dbraw/zinc/68/30/43/429683043.db2.gz BNROPLURDKOEOT-ZBFHGGJFSA-N 1 2 316.405 2.972 20 30 DFEDLO C=CCC[C@H](c1ccco1)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367604431 429683046 /nfs/dbraw/zinc/68/30/46/429683046.db2.gz BNROPLURDKOEOT-ZBFHGGJFSA-N 1 2 316.405 2.972 20 30 DFEDLO COc1cccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1OC ZINC000459621383 429700529 /nfs/dbraw/zinc/70/05/29/429700529.db2.gz WPZPFZDJPZVSLX-UHFFFAOYSA-N 1 2 324.380 2.839 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000367736557 429709292 /nfs/dbraw/zinc/70/92/92/429709292.db2.gz GOOBCPZANOOZER-LBPRGKRZSA-N 1 2 323.234 2.915 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000367736557 429709294 /nfs/dbraw/zinc/70/92/94/429709294.db2.gz GOOBCPZANOOZER-LBPRGKRZSA-N 1 2 323.234 2.915 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@H](CC)CN1C(C)=O ZINC000472325961 429714480 /nfs/dbraw/zinc/71/44/80/429714480.db2.gz ZEEZRCPNAMXQEW-IAGOWNOFSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@H](CC)CN1C(C)=O ZINC000472325961 429714484 /nfs/dbraw/zinc/71/44/84/429714484.db2.gz ZEEZRCPNAMXQEW-IAGOWNOFSA-N 1 2 317.408 2.919 20 30 DFEDLO C=C(CNC(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000479321642 429720040 /nfs/dbraw/zinc/72/00/40/429720040.db2.gz WRRYTKSAGVKSME-UHFFFAOYSA-N 1 2 310.401 2.660 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1ccc(Br)cc1C#N)CC2 ZINC000367868017 429733797 /nfs/dbraw/zinc/73/37/97/429733797.db2.gz ZRKLGGGYTNFHEH-UHFFFAOYSA-N 1 2 317.190 2.846 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000527777203 429796649 /nfs/dbraw/zinc/79/66/49/429796649.db2.gz KRVRPZBBYQBIEJ-UHFFFAOYSA-N 1 2 310.401 2.878 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485909441 429748414 /nfs/dbraw/zinc/74/84/14/429748414.db2.gz XKTHBJFTNSZYSD-GOSISDBHSA-N 1 2 319.832 2.819 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485909441 429748419 /nfs/dbraw/zinc/74/84/19/429748419.db2.gz XKTHBJFTNSZYSD-GOSISDBHSA-N 1 2 319.832 2.819 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000367976076 429758786 /nfs/dbraw/zinc/75/87/86/429758786.db2.gz HRMZNQJYFQWDQP-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000367976076 429758790 /nfs/dbraw/zinc/75/87/90/429758790.db2.gz HRMZNQJYFQWDQP-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)o1)c1cccc(F)c1 ZINC000431747984 429780391 /nfs/dbraw/zinc/78/03/91/429780391.db2.gz COQOUHMIAKLMOH-HNNXBMFYSA-N 1 2 324.315 2.543 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000451392841 429821617 /nfs/dbraw/zinc/82/16/17/429821617.db2.gz KBVVODWPRHJDHA-KFWWJZLASA-N 1 2 303.406 2.548 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(C#N)cc1F ZINC000432867442 429846079 /nfs/dbraw/zinc/84/60/79/429846079.db2.gz VXMAADOSIZPZMP-JTQLQIEISA-N 1 2 301.369 2.964 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(C#N)cc1F ZINC000432867443 429846302 /nfs/dbraw/zinc/84/63/02/429846302.db2.gz VXMAADOSIZPZMP-SNVBAGLBSA-N 1 2 301.369 2.964 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368460599 429852229 /nfs/dbraw/zinc/85/22/29/429852229.db2.gz DTIALYPHGTVUFI-UHFFFAOYSA-N 1 2 308.385 2.672 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(CC#N)c1 ZINC000368465555 429853774 /nfs/dbraw/zinc/85/37/74/429853774.db2.gz LZJISZRZTRHUJO-UHFFFAOYSA-N 1 2 308.385 2.558 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572048 429856582 /nfs/dbraw/zinc/85/65/82/429856582.db2.gz RTYUZQLGWXXWDQ-CYBMUJFWSA-N 1 2 323.234 2.541 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572048 429856585 /nfs/dbraw/zinc/85/65/85/429856585.db2.gz RTYUZQLGWXXWDQ-CYBMUJFWSA-N 1 2 323.234 2.541 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572051 429856876 /nfs/dbraw/zinc/85/68/76/429856876.db2.gz RTYUZQLGWXXWDQ-ZDUSSCGKSA-N 1 2 323.234 2.541 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572051 429856880 /nfs/dbraw/zinc/85/68/80/429856880.db2.gz RTYUZQLGWXXWDQ-ZDUSSCGKSA-N 1 2 323.234 2.541 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498835 429893860 /nfs/dbraw/zinc/89/38/60/429893860.db2.gz ZOTSUNCRPZBKCW-NVXWUHKLSA-N 1 2 324.346 2.890 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498835 429893861 /nfs/dbraw/zinc/89/38/61/429893861.db2.gz ZOTSUNCRPZBKCW-NVXWUHKLSA-N 1 2 324.346 2.890 20 30 DFEDLO C[C@@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528512444 429895623 /nfs/dbraw/zinc/89/56/23/429895623.db2.gz LPNNMSKHLZQYDM-SWLSCSKDSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528512444 429895624 /nfs/dbraw/zinc/89/56/24/429895624.db2.gz LPNNMSKHLZQYDM-SWLSCSKDSA-N 1 2 305.809 2.580 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)n2c1 ZINC000368825629 429896869 /nfs/dbraw/zinc/89/68/69/429896869.db2.gz OQFFVLWRZJEJKN-SFHVURJKSA-N 1 2 324.428 2.987 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)n2c1 ZINC000368825629 429896871 /nfs/dbraw/zinc/89/68/71/429896871.db2.gz OQFFVLWRZJEJKN-SFHVURJKSA-N 1 2 324.428 2.987 20 30 DFEDLO N#Cc1cc(F)c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000369084236 429911618 /nfs/dbraw/zinc/91/16/18/429911618.db2.gz LOFRUWCLCIMUHB-OAHLLOKOSA-N 1 2 318.327 2.510 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120616 429913953 /nfs/dbraw/zinc/91/39/53/429913953.db2.gz WDZUNBYDZJKIFK-LJQANCHMSA-N 1 2 309.413 2.713 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120616 429913955 /nfs/dbraw/zinc/91/39/55/429913955.db2.gz WDZUNBYDZJKIFK-LJQANCHMSA-N 1 2 309.413 2.713 20 30 DFEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000528333418 429875131 /nfs/dbraw/zinc/87/51/31/429875131.db2.gz GVPAXSNNULMWHA-ZDUSSCGKSA-N 1 2 316.449 2.942 20 30 DFEDLO CCCCCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000573629050 429968288 /nfs/dbraw/zinc/96/82/88/429968288.db2.gz LZKFKYVEGIJBDN-SFHVURJKSA-N 1 2 317.433 2.829 20 30 DFEDLO CC1CCC(O)(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000369391481 429935979 /nfs/dbraw/zinc/93/59/79/429935979.db2.gz NKIUDNDKFZQITD-GPQLOAJWSA-N 1 2 306.450 2.855 20 30 DFEDLO CC1CCC(O)(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000369391481 429935987 /nfs/dbraw/zinc/93/59/87/429935987.db2.gz NKIUDNDKFZQITD-GPQLOAJWSA-N 1 2 306.450 2.855 20 30 DFEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000574504595 430046972 /nfs/dbraw/zinc/04/69/72/430046972.db2.gz CBFUQZZBGFVYNF-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO Cc1csc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000580782145 430151999 /nfs/dbraw/zinc/15/19/99/430151999.db2.gz WRUDCSZNXVTFOD-LLVKDONJSA-N 1 2 315.402 2.683 20 30 DFEDLO N#CCc1ccnc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000532180023 430152675 /nfs/dbraw/zinc/15/26/75/430152675.db2.gz BVRIMWNNBPWAFS-UHFFFAOYSA-N 1 2 303.325 2.586 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000562972718 430179449 /nfs/dbraw/zinc/17/94/49/430179449.db2.gz UHQYCOQBFXINQQ-RDJZCZTQSA-N 1 2 313.401 2.630 20 30 DFEDLO Cc1csc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000581019629 430170644 /nfs/dbraw/zinc/17/06/44/430170644.db2.gz LKYCOVBHETWATO-MWLCHTKSSA-N 1 2 301.375 2.952 20 30 DFEDLO C=CC[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccccc1 ZINC000637930160 430175439 /nfs/dbraw/zinc/17/54/39/430175439.db2.gz UMCNXHRJJMWDQD-KRWDZBQOSA-N 1 2 312.417 2.503 20 30 DFEDLO C=CC[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccccc1 ZINC000637930160 430175442 /nfs/dbraw/zinc/17/54/42/430175442.db2.gz UMCNXHRJJMWDQD-KRWDZBQOSA-N 1 2 312.417 2.503 20 30 DFEDLO C=CCN(C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1CC1 ZINC000539011971 430176440 /nfs/dbraw/zinc/17/64/40/430176440.db2.gz VACSKRLNGIPEPW-CYBMUJFWSA-N 1 2 316.449 2.855 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C#N)CC(C)C2)c1C ZINC000531562308 430146363 /nfs/dbraw/zinc/14/63/63/430146363.db2.gz MJXKYFQTPPQDLH-UHFFFAOYSA-N 1 2 301.390 2.605 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000563367413 430183511 /nfs/dbraw/zinc/18/35/11/430183511.db2.gz NSVFQDLKVYMGIK-CABCVRRESA-N 1 2 303.381 2.911 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000564880587 430201707 /nfs/dbraw/zinc/20/17/07/430201707.db2.gz XOINKGDICVLENH-IMJJTQAJSA-N 1 2 323.400 2.501 20 30 DFEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000566548307 430268417 /nfs/dbraw/zinc/26/84/17/430268417.db2.gz HURFQDPESXZAIG-ZDUSSCGKSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000566548307 430268421 /nfs/dbraw/zinc/26/84/21/430268421.db2.gz HURFQDPESXZAIG-ZDUSSCGKSA-N 1 2 301.781 2.628 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1COCC[N@H+]1CCCC ZINC000566910017 430274459 /nfs/dbraw/zinc/27/44/59/430274459.db2.gz WWCRFGKXULGCTE-INIZCTEOSA-N 1 2 322.474 2.764 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC000566910017 430274464 /nfs/dbraw/zinc/27/44/64/430274464.db2.gz WWCRFGKXULGCTE-INIZCTEOSA-N 1 2 322.474 2.764 20 30 DFEDLO C=C(C)CCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641069696 430317940 /nfs/dbraw/zinc/31/79/40/430317940.db2.gz MSEOWSGUOMJKMS-UHFFFAOYSA-N 1 2 311.433 2.567 20 30 DFEDLO CC#CC[NH2+]Cc1cn(C[C@@H](OC(C)C)c2ccccc2)nn1 ZINC000641104386 430330201 /nfs/dbraw/zinc/33/02/01/430330201.db2.gz QMEJTVMYWMAYFY-GOSISDBHSA-N 1 2 312.417 2.557 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCc2cccc(Cl)c2Cl)nn1 ZINC000641138664 430340602 /nfs/dbraw/zinc/34/06/02/430340602.db2.gz RQIWGZAGPSUPGE-UHFFFAOYSA-N 1 2 323.227 2.941 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000568516478 430367903 /nfs/dbraw/zinc/36/79/03/430367903.db2.gz BOSPXUSJHAAVQM-OAHLLOKOSA-N 1 2 311.345 2.917 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000568516478 430367906 /nfs/dbraw/zinc/36/79/06/430367906.db2.gz BOSPXUSJHAAVQM-OAHLLOKOSA-N 1 2 311.345 2.917 20 30 DFEDLO C=CCc1cc(CNc2cc(CO)cc[nH+]2)cc(OC)c1OC ZINC000641325238 430383933 /nfs/dbraw/zinc/38/39/33/430383933.db2.gz ZSBWTOXHRXCHTP-UHFFFAOYSA-N 1 2 314.385 2.932 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635868339 430398342 /nfs/dbraw/zinc/39/83/42/430398342.db2.gz XTJUBIYIKNGJAG-NEPJUHHUSA-N 1 2 301.312 2.944 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000569351364 430446012 /nfs/dbraw/zinc/44/60/12/430446012.db2.gz AOFIAQVEDFRYON-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000569351364 430446015 /nfs/dbraw/zinc/44/60/15/430446015.db2.gz AOFIAQVEDFRYON-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nccs1 ZINC000569367946 430447923 /nfs/dbraw/zinc/44/79/23/430447923.db2.gz URYWOLZJZKLZCY-UHFFFAOYSA-N 1 2 302.359 2.948 20 30 DFEDLO Cc1c(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cnn1C ZINC000569553560 430464703 /nfs/dbraw/zinc/46/47/03/430464703.db2.gz WAKHMRPELGNACW-UHFFFAOYSA-N 1 2 320.343 2.834 20 30 DFEDLO Cc1c(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cnn1C ZINC000569553560 430464709 /nfs/dbraw/zinc/46/47/09/430464709.db2.gz WAKHMRPELGNACW-UHFFFAOYSA-N 1 2 320.343 2.834 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112516 430529331 /nfs/dbraw/zinc/52/93/31/430529331.db2.gz RGKVAMFGSNLEOJ-GFCCVEGCSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112516 430529337 /nfs/dbraw/zinc/52/93/37/430529337.db2.gz RGKVAMFGSNLEOJ-GFCCVEGCSA-N 1 2 314.838 2.528 20 30 DFEDLO N#Cc1cnc(NCc2cn3c([nH+]2)CCCC3)c2sccc21 ZINC000601110678 430536313 /nfs/dbraw/zinc/53/63/13/430536313.db2.gz KAJDOYFVIRZZOD-UHFFFAOYSA-N 1 2 309.398 3.313 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000553919306 430625958 /nfs/dbraw/zinc/62/59/58/430625958.db2.gz KKRLGJHGYURWJY-INIZCTEOSA-N 1 2 323.400 2.584 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(C(F)(F)F)C1 ZINC000571612462 430639492 /nfs/dbraw/zinc/63/94/92/430639492.db2.gz JEZQWYVHGMZEDO-AWEZNQCLSA-N 1 2 315.335 2.649 20 30 DFEDLO CCc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000555687180 430672568 /nfs/dbraw/zinc/67/25/68/430672568.db2.gz KPILLCIIAOHXOE-ZDUSSCGKSA-N 1 2 314.414 2.625 20 30 DFEDLO CCc1cnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000555687180 430672569 /nfs/dbraw/zinc/67/25/69/430672569.db2.gz KPILLCIIAOHXOE-ZDUSSCGKSA-N 1 2 314.414 2.625 20 30 DFEDLO Cc1c2ccc(F)cc2sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572409782 430686443 /nfs/dbraw/zinc/68/64/43/430686443.db2.gz BLZARQGDHQIBGB-INIZCTEOSA-N 1 2 319.405 2.923 20 30 DFEDLO C[C@@H](CC(=O)N[C@](C)(C#N)CCc1ccccc1)n1cc[nH+]c1 ZINC000572769364 430696762 /nfs/dbraw/zinc/69/67/62/430696762.db2.gz YFPNDRBQQBTMKE-YJBOKZPZSA-N 1 2 310.401 2.865 20 30 DFEDLO C[C@H](CC(=O)N[C@@](C)(C#N)CCc1ccccc1)n1cc[nH+]c1 ZINC000572769361 430696808 /nfs/dbraw/zinc/69/68/08/430696808.db2.gz YFPNDRBQQBTMKE-CRAIPNDOSA-N 1 2 310.401 2.865 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)C1=O ZINC000661438032 430717600 /nfs/dbraw/zinc/71/76/00/430717600.db2.gz RRAYSMRYGJHXJB-GDBMZVCRSA-N 1 2 300.402 2.984 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC3(CCCC3)[C@H]2c2ccco2)C1=O ZINC000661438032 430717604 /nfs/dbraw/zinc/71/76/04/430717604.db2.gz RRAYSMRYGJHXJB-GDBMZVCRSA-N 1 2 300.402 2.984 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000644483050 430737420 /nfs/dbraw/zinc/73/74/20/430737420.db2.gz PJMUKKBGLOIUAP-INMHGKMJSA-N 1 2 317.433 2.938 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000661506096 430741628 /nfs/dbraw/zinc/74/16/28/430741628.db2.gz FESGECZXUWWGSH-NOLJZWGESA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCCCCCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000654666568 430773522 /nfs/dbraw/zinc/77/35/22/430773522.db2.gz PKEKYVORPKEYIM-GDBMZVCRSA-N 1 2 320.437 2.686 20 30 DFEDLO C=CCCCCCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000654666571 430773969 /nfs/dbraw/zinc/77/39/69/430773969.db2.gz PKEKYVORPKEYIM-ZBFHGGJFSA-N 1 2 320.437 2.686 20 30 DFEDLO C=CCOCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000645134274 430913224 /nfs/dbraw/zinc/91/32/24/430913224.db2.gz DRWZNMFYOXXLKR-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCOCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000645134274 430913232 /nfs/dbraw/zinc/91/32/32/430913232.db2.gz DRWZNMFYOXXLKR-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658979405 430932000 /nfs/dbraw/zinc/93/20/00/430932000.db2.gz ZASZTVHAOXQRSW-UHFFFAOYSA-N 1 2 303.406 2.806 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645365031 430983006 /nfs/dbraw/zinc/98/30/06/430983006.db2.gz IZSNBWAUJBQONC-AWEZNQCLSA-N 1 2 300.406 2.839 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nnc(CC(C)C)s1 ZINC000662087543 430954449 /nfs/dbraw/zinc/95/44/49/430954449.db2.gz BXGNMNSLXBCGKS-BETUJISGSA-N 1 2 320.462 2.858 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nnc(CC(C)C)s1 ZINC000662087543 430954455 /nfs/dbraw/zinc/95/44/55/430954455.db2.gz BXGNMNSLXBCGKS-BETUJISGSA-N 1 2 320.462 2.858 20 30 DFEDLO C=CCOc1cccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000655818784 431165300 /nfs/dbraw/zinc/16/53/00/431165300.db2.gz HZHZTHCPSNAEBA-HNNXBMFYSA-N 1 2 314.389 2.511 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccccc2C)nn1 ZINC000653474960 431392267 /nfs/dbraw/zinc/39/22/67/431392267.db2.gz IZNQLEABAUQCAW-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccccc2C)nn1 ZINC000653474960 431392276 /nfs/dbraw/zinc/39/22/76/431392276.db2.gz IZNQLEABAUQCAW-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCCn1cc(C[N@H+](CCOC)Cc2cccs2)nn1 ZINC000653481368 431394713 /nfs/dbraw/zinc/39/47/13/431394713.db2.gz GHAMPVFZQOATRT-UHFFFAOYSA-N 1 2 306.435 2.564 20 30 DFEDLO C=CCCn1cc(C[N@@H+](CCOC)Cc2cccs2)nn1 ZINC000653481368 431394720 /nfs/dbraw/zinc/39/47/20/431394720.db2.gz GHAMPVFZQOATRT-UHFFFAOYSA-N 1 2 306.435 2.564 20 30 DFEDLO C=CC1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663586280 431474140 /nfs/dbraw/zinc/47/41/40/431474140.db2.gz KKPMVCKWDSNEAZ-UHFFFAOYSA-N 1 2 300.410 2.566 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCCc3cc(OC)ccc3C2)nn1 ZINC000653543296 431429789 /nfs/dbraw/zinc/42/97/89/431429789.db2.gz JJYSNFNPLHFOBU-UHFFFAOYSA-N 1 2 312.417 2.811 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCCc3cc(OC)ccc3C2)nn1 ZINC000653543296 431429794 /nfs/dbraw/zinc/42/97/94/431429794.db2.gz JJYSNFNPLHFOBU-UHFFFAOYSA-N 1 2 312.417 2.811 20 30 DFEDLO C=CCC1(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CCCC1 ZINC000663622692 431483262 /nfs/dbraw/zinc/48/32/62/431483262.db2.gz AGYYLPJZVXSGQX-UHFFFAOYSA-N 1 2 302.422 2.836 20 30 DFEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(Cl)ccc3C#N)CC2)S1 ZINC000301580894 279905264 /nfs/dbraw/zinc/90/52/64/279905264.db2.gz NOUWQEPMDBWLLM-NSHDSACASA-N 1 2 320.849 2.825 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000660552056 431486710 /nfs/dbraw/zinc/48/67/10/431486710.db2.gz PPTJZBVVUYVRPS-CQSZACIVSA-N 1 2 302.422 2.717 20 30 DFEDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000292303503 280063254 /nfs/dbraw/zinc/06/32/54/280063254.db2.gz ATVIAZSXDRGSOL-INIZCTEOSA-N 1 2 320.458 2.698 20 30 DFEDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000292303503 280063257 /nfs/dbraw/zinc/06/32/57/280063257.db2.gz ATVIAZSXDRGSOL-INIZCTEOSA-N 1 2 320.458 2.698 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361510578 288212422 /nfs/dbraw/zinc/21/24/22/288212422.db2.gz JFHOIWWUODMIAU-WBMJQRKESA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361510578 288212426 /nfs/dbraw/zinc/21/24/26/288212426.db2.gz JFHOIWWUODMIAU-WBMJQRKESA-N 1 2 306.793 2.591 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000664144863 431672463 /nfs/dbraw/zinc/67/24/63/431672463.db2.gz PNSQMQTXCDGKHB-CABCVRRESA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000664144863 431672467 /nfs/dbraw/zinc/67/24/67/431672467.db2.gz PNSQMQTXCDGKHB-CABCVRRESA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@@H]1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000664252656 431716629 /nfs/dbraw/zinc/71/66/29/431716629.db2.gz AKTFFSPSYUGEKF-CQSZACIVSA-N 1 2 312.417 2.827 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567509 431812204 /nfs/dbraw/zinc/81/22/04/431812204.db2.gz RUBFPFDQMUHJEG-TZMCWYRMSA-N 1 2 314.389 2.647 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661325985 431823682 /nfs/dbraw/zinc/82/36/82/431823682.db2.gz NSTJPVWLKBTSKA-ZBFHGGJFSA-N 1 2 312.417 2.968 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)C1CCCCC1 ZINC000542617586 301416849 /nfs/dbraw/zinc/41/68/49/301416849.db2.gz CLHKKRSZYRHLLK-QGZVFWFLSA-N 1 2 316.401 2.649 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000543456063 301431246 /nfs/dbraw/zinc/43/12/46/301431246.db2.gz OWNVOVNXXBBMLN-LBPRGKRZSA-N 1 2 314.776 2.575 20 30 DFEDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000561496748 301937709 /nfs/dbraw/zinc/93/77/09/301937709.db2.gz VJFASRSRKAVSPJ-LRDDRELGSA-N 1 2 323.400 2.803 20 30 DFEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000564089887 302118294 /nfs/dbraw/zinc/11/82/94/302118294.db2.gz JSQBTUYNOIMPFE-HUUCEWRRSA-N 1 2 303.362 2.856 20 30 DFEDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000564815026 302160876 /nfs/dbraw/zinc/16/08/76/302160876.db2.gz AKYOUQMTVYDEDX-ZWKOTPCHSA-N 1 2 305.381 2.990 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000564918285 302173603 /nfs/dbraw/zinc/17/36/03/302173603.db2.gz BBDBBFIATRHDBZ-HNNXBMFYSA-N 1 2 324.384 2.591 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000564918285 302173605 /nfs/dbraw/zinc/17/36/05/302173605.db2.gz BBDBBFIATRHDBZ-HNNXBMFYSA-N 1 2 324.384 2.591 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC000566672004 302302935 /nfs/dbraw/zinc/30/29/35/302302935.db2.gz MEDUYMYIJBKANQ-INIZCTEOSA-N 1 2 317.458 2.891 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC000566672004 302302938 /nfs/dbraw/zinc/30/29/38/302302938.db2.gz MEDUYMYIJBKANQ-INIZCTEOSA-N 1 2 317.458 2.891 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000567051587 302331935 /nfs/dbraw/zinc/33/19/35/302331935.db2.gz USFYMEXFJXRCNI-BBRMVZONSA-N 1 2 308.385 2.537 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000569441006 302518169 /nfs/dbraw/zinc/51/81/69/302518169.db2.gz WEWZMTFGFPGDKX-ZWNOBZJWSA-N 1 2 311.345 2.591 20 30 DFEDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000183093831 316130224 /nfs/dbraw/zinc/13/02/24/316130224.db2.gz IFNMGJXZQAVECU-HTAPYJJXSA-N 1 2 316.401 2.907 20 30 DFEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000184219768 316162290 /nfs/dbraw/zinc/16/22/90/316162290.db2.gz UYEMDHDDZBWBPW-LLVKDONJSA-N 1 2 300.387 2.613 20 30 DFEDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000185088952 316179153 /nfs/dbraw/zinc/17/91/53/316179153.db2.gz MMHDCVJBPYYJAY-CYBMUJFWSA-N 1 2 300.387 2.694 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000557498105 317873733 /nfs/dbraw/zinc/87/37/33/317873733.db2.gz UEGUCLYYFIDGGQ-AWEZNQCLSA-N 1 2 314.776 2.826 20 30 DFEDLO Cc1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc[nH+]1 ZINC000576933381 318160313 /nfs/dbraw/zinc/16/03/13/318160313.db2.gz RFMZSWSJOCEKFQ-UHFFFAOYSA-N 1 2 304.309 2.591 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccnc(C#N)n4)C3)[nH+]c2c1 ZINC000578926085 318295297 /nfs/dbraw/zinc/29/52/97/318295297.db2.gz VPNWNHCQAJIANK-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000579541822 318336594 /nfs/dbraw/zinc/33/65/94/318336594.db2.gz MXJZIMGPHAHCNS-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c(OC)c1 ZINC000386018447 323315188 /nfs/dbraw/zinc/31/51/88/323315188.db2.gz ODSBFINPVKIWLQ-JTQLQIEISA-N 1 2 303.387 2.883 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000116942631 331468039 /nfs/dbraw/zinc/46/80/39/331468039.db2.gz LPUZRPBAJMOOFT-AWEZNQCLSA-N 1 2 302.422 2.836 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000407966025 331599166 /nfs/dbraw/zinc/59/91/66/331599166.db2.gz XSVLOMZNHZOHHD-UHFFFAOYSA-N 1 2 312.417 2.513 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)C3CCCCC3)[nH+]c12 ZINC000530654293 331615796 /nfs/dbraw/zinc/61/57/96/331615796.db2.gz FEAOEKHRDPRQND-INIZCTEOSA-N 1 2 310.401 2.774 20 30 DFEDLO NC(=[NH+]OCCCOCC(F)(F)F)c1cccc(Cl)c1 ZINC000077238730 331957885 /nfs/dbraw/zinc/95/78/85/331957885.db2.gz DEOXMCIYTBDAIS-UHFFFAOYSA-N 1 2 310.703 2.946 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC)c1nc2ccccc2s1 ZINC000573503775 332118465 /nfs/dbraw/zinc/11/84/65/332118465.db2.gz QVMSKHINERIQTA-GFCCVEGCSA-N 1 2 316.430 2.931 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(-c2ccc(OC)cc2)n1 ZINC000569557435 332138149 /nfs/dbraw/zinc/13/81/49/332138149.db2.gz BEUHTBSLJBXFRA-CABCVRRESA-N 1 2 315.373 2.568 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CC2CCN(C(C)=O)CC2)c(O)c1 ZINC000105356746 332251477 /nfs/dbraw/zinc/25/14/77/332251477.db2.gz FDEYKHJLZFVXTP-CPNJWEJPSA-N 1 2 318.417 2.858 20 30 DFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000559610144 332274054 /nfs/dbraw/zinc/27/40/54/332274054.db2.gz SOLGTKASYZZLAT-MRXNPFEDSA-N 1 2 315.392 2.600 20 30 DFEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000559610144 332274056 /nfs/dbraw/zinc/27/40/56/332274056.db2.gz SOLGTKASYZZLAT-MRXNPFEDSA-N 1 2 315.392 2.600 20 30 DFEDLO C=CCC(C)(C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000293097049 335099923 /nfs/dbraw/zinc/09/99/23/335099923.db2.gz SNGTYFQQWJXESK-AWEZNQCLSA-N 1 2 317.433 2.525 20 30 DFEDLO C=CCC(F)(F)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000293152846 335101125 /nfs/dbraw/zinc/10/11/25/335101125.db2.gz UAKNQLLXOVABJT-CYBMUJFWSA-N 1 2 323.318 2.976 20 30 DFEDLO C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115740973 332334966 /nfs/dbraw/zinc/33/49/66/332334966.db2.gz GJEVDENVQZUIPB-NVXWUHKLSA-N 1 2 310.401 2.557 20 30 DFEDLO C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115740973 332334968 /nfs/dbraw/zinc/33/49/68/332334968.db2.gz GJEVDENVQZUIPB-NVXWUHKLSA-N 1 2 310.401 2.557 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000153287301 332368472 /nfs/dbraw/zinc/36/84/72/332368472.db2.gz BYHYXQAQDQGCPF-MRXNPFEDSA-N 1 2 321.465 3.000 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000119969620 332380435 /nfs/dbraw/zinc/38/04/35/332380435.db2.gz PZNSMLGBQAWBOA-KGLIPLIRSA-N 1 2 308.447 2.812 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000119969620 332380438 /nfs/dbraw/zinc/38/04/38/332380438.db2.gz PZNSMLGBQAWBOA-KGLIPLIRSA-N 1 2 308.447 2.812 20 30 DFEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1 ZINC000123360772 332422731 /nfs/dbraw/zinc/42/27/31/332422731.db2.gz IHAVKFIVWHYBPS-UHFFFAOYSA-N 1 2 306.341 2.697 20 30 DFEDLO C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000123460423 332424037 /nfs/dbraw/zinc/42/40/37/332424037.db2.gz BCDCHBBCOTYOEN-GJZGRUSLSA-N 1 2 300.406 2.767 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185040874 335110521 /nfs/dbraw/zinc/11/05/21/335110521.db2.gz AVGRRFLFOOFOHT-FUHWJXTLSA-N 1 2 316.445 2.778 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570336337 332742290 /nfs/dbraw/zinc/74/22/90/332742290.db2.gz PTDAJHMLKSKEMA-OAHLLOKOSA-N 1 2 308.385 2.921 20 30 DFEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174223660 333083555 /nfs/dbraw/zinc/08/35/55/333083555.db2.gz VZAVUKFUFIYBRZ-CYBMUJFWSA-N 1 2 321.421 2.537 20 30 DFEDLO Cc1[nH]ncc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000174425419 333086159 /nfs/dbraw/zinc/08/61/59/333086159.db2.gz LMSVSSWEKTUUAK-UHFFFAOYSA-N 1 2 320.400 2.785 20 30 DFEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C(C)C ZINC000294242246 335122439 /nfs/dbraw/zinc/12/24/39/335122439.db2.gz OXDAVDXKNLVOAK-AWEZNQCLSA-N 1 2 303.406 2.506 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2csc([C@H](C)OC)n2)cc1 ZINC000177555490 333130174 /nfs/dbraw/zinc/13/01/74/333130174.db2.gz RZISGAWZIFSWKG-JTQLQIEISA-N 1 2 321.402 2.696 20 30 DFEDLO C#CCCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000294681899 335125383 /nfs/dbraw/zinc/12/53/83/335125383.db2.gz JUCLJBWZNOFAKA-UHFFFAOYSA-N 1 2 323.396 2.832 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000294481029 335123488 /nfs/dbraw/zinc/12/34/88/335123488.db2.gz DKPXEPVZEPAOOX-UHFFFAOYSA-N 1 2 307.463 2.698 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000294481029 335123489 /nfs/dbraw/zinc/12/34/89/335123489.db2.gz DKPXEPVZEPAOOX-UHFFFAOYSA-N 1 2 307.463 2.698 20 30 DFEDLO CN(C)C(=O)COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185725376 333212903 /nfs/dbraw/zinc/21/29/03/333212903.db2.gz HDOOLVDQSZYLKY-UKRRQHHQSA-N 1 2 301.390 2.648 20 30 DFEDLO C=CCNC(=O)c1ccc(NCCCc2[nH+]cccc2C)nc1 ZINC000295000778 335129904 /nfs/dbraw/zinc/12/99/04/335129904.db2.gz OFMCUUQARZHPLV-UHFFFAOYSA-N 1 2 310.401 2.746 20 30 DFEDLO CC(C)N(C)c1ccc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)c[nH+]1 ZINC000191324788 333279377 /nfs/dbraw/zinc/27/93/77/333279377.db2.gz LWOIXOCEZOBFTP-UVTDQMKNSA-N 1 2 323.396 2.827 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC000193257628 333300797 /nfs/dbraw/zinc/30/07/97/333300797.db2.gz HUADFXLDBURPGZ-NVNMUSKQSA-N 1 2 305.374 2.942 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000185454173 335134808 /nfs/dbraw/zinc/13/48/08/335134808.db2.gz NTBMSXDZKBEBII-INIZCTEOSA-N 1 2 316.445 2.942 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000295429287 335134854 /nfs/dbraw/zinc/13/48/54/335134854.db2.gz CXNWSPLPFPQDQC-AWEZNQCLSA-N 1 2 323.396 2.863 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186903420 333380823 /nfs/dbraw/zinc/38/08/23/333380823.db2.gz ZDTVJUVYLCCLLA-ZFWWWQNUSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186903420 333380825 /nfs/dbraw/zinc/38/08/25/333380825.db2.gz ZDTVJUVYLCCLLA-ZFWWWQNUSA-N 1 2 320.458 2.606 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000185519683 335137965 /nfs/dbraw/zinc/13/79/65/335137965.db2.gz OODOBJSHXXAURB-ZDUSSCGKSA-N 1 2 307.463 2.698 20 30 DFEDLO C#CCCCC(=O)N(CC)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000365292567 333402009 /nfs/dbraw/zinc/40/20/09/333402009.db2.gz PUNTWODLPHQVLJ-QGZVFWFLSA-N 1 2 310.401 2.557 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000185573326 335141443 /nfs/dbraw/zinc/14/14/43/335141443.db2.gz QDLHBSMSAZLUMK-HOTGVXAUSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CC[C@H](CO)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174229 333474077 /nfs/dbraw/zinc/47/40/77/333474077.db2.gz CVJKDMFIFDRJMY-AWEZNQCLSA-N 1 2 312.369 2.788 20 30 DFEDLO C=CCOCC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000338499538 333489456 /nfs/dbraw/zinc/48/94/56/333489456.db2.gz WZWATUOBGXHGCZ-UHFFFAOYSA-N 1 2 313.401 2.752 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000296332713 335143677 /nfs/dbraw/zinc/14/36/77/335143677.db2.gz QWEQUGWKBWNRBE-HIFRSBDPSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000296332713 335143679 /nfs/dbraw/zinc/14/36/79/335143679.db2.gz QWEQUGWKBWNRBE-HIFRSBDPSA-N 1 2 320.458 2.748 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000356418190 333529536 /nfs/dbraw/zinc/52/95/36/333529536.db2.gz BHKZBFCEYFJTHQ-ZWNOBZJWSA-N 1 2 319.206 2.879 20 30 DFEDLO CC#CCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000296572865 335146620 /nfs/dbraw/zinc/14/66/20/335146620.db2.gz TWJVAWDMADBFPG-OAHLLOKOSA-N 1 2 315.417 2.567 20 30 DFEDLO C#CCC(C)(C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000185858894 335154342 /nfs/dbraw/zinc/15/43/42/335154342.db2.gz OLWJNHSWLSLQJH-UHFFFAOYSA-N 1 2 314.429 2.815 20 30 DFEDLO N#CC1(F)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413284786 333841563 /nfs/dbraw/zinc/84/15/63/333841563.db2.gz VYUZUTMLROQDQO-UHFFFAOYSA-N 1 2 300.293 2.975 20 30 DFEDLO COc1cccc(C(N)=[NH+]OCc2ccn(C3CCCC3)n2)c1 ZINC000268578632 333992035 /nfs/dbraw/zinc/99/20/35/333992035.db2.gz KACSASZZXIGPAV-UHFFFAOYSA-N 1 2 314.389 2.844 20 30 DFEDLO N#CCc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000270313641 334010921 /nfs/dbraw/zinc/01/09/21/334010921.db2.gz RRNUSWIYPGCNEN-UHFFFAOYSA-N 1 2 308.385 2.770 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271628493 334024705 /nfs/dbraw/zinc/02/47/05/334024705.db2.gz BDHCHUJNUAULCI-ZBEGNZNMSA-N 1 2 309.360 2.670 20 30 DFEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c([N+](=O)[O-])cc1OC ZINC000272509213 334036285 /nfs/dbraw/zinc/03/62/85/334036285.db2.gz ISHNRFGKCGEJOB-UHFFFAOYSA-N 1 2 319.361 2.738 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(CC#N)c3)n2)C1 ZINC000272617235 334038156 /nfs/dbraw/zinc/03/81/56/334038156.db2.gz IEWWSBBPOAKTON-OAHLLOKOSA-N 1 2 312.373 2.584 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(CC#N)c3)n2)C1 ZINC000272617235 334038158 /nfs/dbraw/zinc/03/81/58/334038158.db2.gz IEWWSBBPOAKTON-OAHLLOKOSA-N 1 2 312.373 2.584 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)NCCCC#N)c1)[NH+]1CCOCC1 ZINC000273240972 334044678 /nfs/dbraw/zinc/04/46/78/334044678.db2.gz QMLYDLNXKWJKOX-AWEZNQCLSA-N 1 2 316.405 2.505 20 30 DFEDLO C[C@H](c1cccc(NC(=O)N[C@@H](C)CC#N)c1)[NH+]1CCOCC1 ZINC000274791976 334066465 /nfs/dbraw/zinc/06/64/65/334066465.db2.gz OFXBFEWJNFNOPG-UONOGXRCSA-N 1 2 316.405 2.503 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414527 334077541 /nfs/dbraw/zinc/07/75/41/334077541.db2.gz WIOJKHPKCXZLRO-LRDDRELGSA-N 1 2 321.371 2.547 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414527 334077542 /nfs/dbraw/zinc/07/75/42/334077542.db2.gz WIOJKHPKCXZLRO-LRDDRELGSA-N 1 2 321.371 2.547 20 30 DFEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000276512716 334080654 /nfs/dbraw/zinc/08/06/54/334080654.db2.gz FCPJZCOUXLBHFM-OAHLLOKOSA-N 1 2 315.417 2.535 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000278644719 334099264 /nfs/dbraw/zinc/09/92/64/334099264.db2.gz PHAQCWAVPQQLOB-GOEBONIOSA-N 1 2 321.371 2.766 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000278644719 334099266 /nfs/dbraw/zinc/09/92/66/334099266.db2.gz PHAQCWAVPQQLOB-GOEBONIOSA-N 1 2 321.371 2.766 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)s1 ZINC000278688349 334099885 /nfs/dbraw/zinc/09/98/85/334099885.db2.gz SBIQZGWJWKURNN-ZIAGYGMSSA-N 1 2 303.431 2.507 20 30 DFEDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000280823907 334120320 /nfs/dbraw/zinc/12/03/20/334120320.db2.gz NRQOQIDVPLFVIY-UHFFFAOYSA-N 1 2 301.415 2.893 20 30 DFEDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000280823907 334120321 /nfs/dbraw/zinc/12/03/21/334120321.db2.gz NRQOQIDVPLFVIY-UHFFFAOYSA-N 1 2 301.415 2.893 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000282825938 334137605 /nfs/dbraw/zinc/13/76/05/334137605.db2.gz SBFWXUMUVHXXTQ-JKSUJKDBSA-N 1 2 315.417 2.893 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000282825938 334137606 /nfs/dbraw/zinc/13/76/06/334137606.db2.gz SBFWXUMUVHXXTQ-JKSUJKDBSA-N 1 2 315.417 2.893 20 30 DFEDLO N#CC1CCC(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000282836734 334137780 /nfs/dbraw/zinc/13/77/80/334137780.db2.gz VYPFXJFPIPTSDT-UHFFFAOYSA-N 1 2 322.412 2.991 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000283342151 334140038 /nfs/dbraw/zinc/14/00/38/334140038.db2.gz ZRFPCGVGGSCESR-INIZCTEOSA-N 1 2 319.412 2.800 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570446 335178293 /nfs/dbraw/zinc/17/82/93/335178293.db2.gz MYRBEHVFGAPIRT-AWEZNQCLSA-N 1 2 324.388 2.708 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)on1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570446 335178295 /nfs/dbraw/zinc/17/82/95/335178295.db2.gz MYRBEHVFGAPIRT-AWEZNQCLSA-N 1 2 324.388 2.708 20 30 DFEDLO COc1cc(C(N)=[NH+]OCCCCF)cc(Cl)c1OC ZINC000284969472 334144969 /nfs/dbraw/zinc/14/49/69/334144969.db2.gz BEDCLEYZAHSRIH-UHFFFAOYSA-N 1 2 304.749 2.744 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000285714678 334149756 /nfs/dbraw/zinc/14/97/56/334149756.db2.gz FBYSADXWEBMLOX-ZMSDIMECSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000285714678 334149757 /nfs/dbraw/zinc/14/97/57/334149757.db2.gz FBYSADXWEBMLOX-ZMSDIMECSA-N 1 2 321.371 2.766 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccncc3)C2)CCCCC1 ZINC000286271569 334152397 /nfs/dbraw/zinc/15/23/97/334152397.db2.gz BWPKZQYOZUYKFK-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccncc3)C2)CCCCC1 ZINC000286271569 334152399 /nfs/dbraw/zinc/15/23/99/334152399.db2.gz BWPKZQYOZUYKFK-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO CN(C(=O)C[N@@H+]1CCCc2occc2C1)C1(C#N)CCCCC1 ZINC000288925380 334162651 /nfs/dbraw/zinc/16/26/51/334162651.db2.gz VMCDWBRHSWALCF-UHFFFAOYSA-N 1 2 315.417 2.713 20 30 DFEDLO CN(C(=O)C[N@H+]1CCCc2occc2C1)C1(C#N)CCCCC1 ZINC000288925380 334162653 /nfs/dbraw/zinc/16/26/53/334162653.db2.gz VMCDWBRHSWALCF-UHFFFAOYSA-N 1 2 315.417 2.713 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000291606884 334180215 /nfs/dbraw/zinc/18/02/15/334180215.db2.gz CLSDQWQMSQSXLF-GOEBONIOSA-N 1 2 307.344 2.520 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000291606884 334180216 /nfs/dbraw/zinc/18/02/16/334180216.db2.gz CLSDQWQMSQSXLF-GOEBONIOSA-N 1 2 307.344 2.520 20 30 DFEDLO CCOc1cccc(/C=[NH+]/CC2(COC)CCOCC2)c1O ZINC000291791914 334181999 /nfs/dbraw/zinc/18/19/99/334181999.db2.gz AWMGLOWLACQIMP-WOJGMQOQSA-N 1 2 307.390 2.653 20 30 DFEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292919018 334194229 /nfs/dbraw/zinc/19/42/29/334194229.db2.gz XTZSRLIHAAZQLW-GOSISDBHSA-N 1 2 313.376 2.540 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292919018 334194231 /nfs/dbraw/zinc/19/42/31/334194231.db2.gz XTZSRLIHAAZQLW-GOSISDBHSA-N 1 2 313.376 2.540 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293312780 334197168 /nfs/dbraw/zinc/19/71/68/334197168.db2.gz BXUVXCGRJSPSSF-ZWKOTPCHSA-N 1 2 313.445 2.895 20 30 DFEDLO CC(C)(CC#N)CS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000295537682 334224834 /nfs/dbraw/zinc/22/48/34/334224834.db2.gz JJPCBLSWOVRJLY-UHFFFAOYSA-N 1 2 319.386 2.521 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)C2(C#N)CCCC2)c[nH+]1 ZINC000299081080 334252938 /nfs/dbraw/zinc/25/29/38/334252938.db2.gz SDRSAPWARDSANJ-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO O=C1CC2(CCCCC2)CC(=O)C1=CNCCCn1cc[nH+]c1 ZINC000299259145 334254116 /nfs/dbraw/zinc/25/41/16/334254116.db2.gz IPTVZNYLMYMDHS-UHFFFAOYSA-N 1 2 315.417 2.629 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244978 334424628 /nfs/dbraw/zinc/42/46/28/334424628.db2.gz YOXAPOXBDZKHLD-MRXNPFEDSA-N 1 2 319.449 2.883 20 30 DFEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000341969140 334498447 /nfs/dbraw/zinc/49/84/47/334498447.db2.gz BHZDATSIUFTVRI-GFCCVEGCSA-N 1 2 306.410 2.680 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000342678802 334559946 /nfs/dbraw/zinc/55/99/46/334559946.db2.gz MKYVSCGIHKCNQJ-IAQYHMDHSA-N 1 2 302.328 2.932 20 30 DFEDLO O=C(Nc1ccc(N2CCCC2)cn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328652032 334745976 /nfs/dbraw/zinc/74/59/76/334745976.db2.gz BTBPXRZCWQHYBM-CYBMUJFWSA-N 1 2 311.389 2.729 20 30 DFEDLO Cc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c2n[nH]cc21 ZINC000328773722 334753256 /nfs/dbraw/zinc/75/32/56/334753256.db2.gz BPBZBBMSEPXROE-GFCCVEGCSA-N 1 2 324.388 2.640 20 30 DFEDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)CCO1 ZINC000330735976 334810822 /nfs/dbraw/zinc/81/08/22/334810822.db2.gz MQYKJHNUJDFJFA-GJZGRUSLSA-N 1 2 322.453 2.750 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000330985445 334828345 /nfs/dbraw/zinc/82/83/45/334828345.db2.gz PYOWOECOIXSKLM-GJZGRUSLSA-N 1 2 304.438 2.943 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](CCO)C(C)(C)C)cc2n1C ZINC000331063300 334832333 /nfs/dbraw/zinc/83/23/33/334832333.db2.gz OJBOXNWELIFLOJ-OAHLLOKOSA-N 1 2 303.406 2.983 20 30 DFEDLO CC[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331289896 334855083 /nfs/dbraw/zinc/85/50/83/334855083.db2.gz JPBNQFDTZLOLPL-SNVBAGLBSA-N 1 2 304.316 2.591 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000334053933 334866067 /nfs/dbraw/zinc/86/60/67/334866067.db2.gz PYOWOECOIXSKLM-LSDHHAIUSA-N 1 2 304.438 2.739 20 30 DFEDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000344671772 335270852 /nfs/dbraw/zinc/27/08/52/335270852.db2.gz GBLVPXZVQZLAJJ-ZIAGYGMSSA-N 1 2 305.426 2.595 20 30 DFEDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000344671772 335270853 /nfs/dbraw/zinc/27/08/53/335270853.db2.gz GBLVPXZVQZLAJJ-ZIAGYGMSSA-N 1 2 305.426 2.595 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCC1 ZINC000345134893 335300455 /nfs/dbraw/zinc/30/04/55/335300455.db2.gz QCNSXCNZVYKJNB-GHMZBOCLSA-N 1 2 307.344 2.566 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000345623379 335337584 /nfs/dbraw/zinc/33/75/84/335337584.db2.gz DFQFJILYEJPHNZ-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000345887983 335358652 /nfs/dbraw/zinc/35/86/52/335358652.db2.gz VMRMGVUBCJGDSE-HNNXBMFYSA-N 1 2 313.401 2.529 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000347707615 335523339 /nfs/dbraw/zinc/52/33/39/335523339.db2.gz QRMYNQVELYWFOH-AAEUAGOBSA-N 1 2 321.808 2.877 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)ccc2[nH+]1 ZINC000329021865 335934189 /nfs/dbraw/zinc/93/41/89/335934189.db2.gz MJCPIJUFOSLSNB-HUUCEWRRSA-N 1 2 314.389 2.832 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCOCC1)C1CCOCC1 ZINC000329102252 335941122 /nfs/dbraw/zinc/94/11/22/335941122.db2.gz ZYSBWNAXGCKOPB-INIZCTEOSA-N 1 2 321.421 2.661 20 30 DFEDLO CSc1cc(CNC(=O)C2([NH+]3CCOCC3)CCC2)ccn1 ZINC000329341369 335966079 /nfs/dbraw/zinc/96/60/79/335966079.db2.gz SCGIIABCUBKXCZ-UHFFFAOYSA-N 1 2 321.446 2.515 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329601453 336002869 /nfs/dbraw/zinc/00/28/69/336002869.db2.gz KPXMWJBOWUCFQX-ZYHUDNBSSA-N 1 2 310.357 2.999 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329601453 336002870 /nfs/dbraw/zinc/00/28/70/336002870.db2.gz KPXMWJBOWUCFQX-ZYHUDNBSSA-N 1 2 310.357 2.999 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329610688 336009938 /nfs/dbraw/zinc/00/99/38/336009938.db2.gz NVPPFECTKFNHDN-INIZCTEOSA-N 1 2 314.433 2.898 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329621994 336014811 /nfs/dbraw/zinc/01/48/11/336014811.db2.gz UNTWMJRYBHCXHP-GLQYFDAESA-N 1 2 303.793 2.727 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCCc2ccccc21 ZINC000329640921 336025849 /nfs/dbraw/zinc/02/58/49/336025849.db2.gz ZZZNSKRBEKCACY-HIFRSBDPSA-N 1 2 310.401 2.848 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000329645720 336026317 /nfs/dbraw/zinc/02/63/17/336026317.db2.gz ZOZRJNLGCYJGOP-NSHDSACASA-N 1 2 305.769 2.581 20 30 DFEDLO Cc1cc(Cl)cnc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329645720 336026318 /nfs/dbraw/zinc/02/63/18/336026318.db2.gz ZOZRJNLGCYJGOP-NSHDSACASA-N 1 2 305.769 2.581 20 30 DFEDLO CC[C@@H]1C[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)CC(=O)N1 ZINC000329650988 336028414 /nfs/dbraw/zinc/02/84/14/336028414.db2.gz CPOPQVGJVBQUJC-QWHCGFSZSA-N 1 2 300.362 2.936 20 30 DFEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cc[nH+]c3C1)CCC2 ZINC000329691778 336051665 /nfs/dbraw/zinc/05/16/65/336051665.db2.gz BYDBLIDDVDWUAL-INIZCTEOSA-N 1 2 310.401 2.999 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCSC1)C1CCOCC1 ZINC000329703901 336060669 /nfs/dbraw/zinc/06/06/69/336060669.db2.gz INEDIEFWLSEBFH-ZIAGYGMSSA-N 1 2 323.462 2.988 20 30 DFEDLO O=C(C[C@@H]1CCOC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000329728008 336071158 /nfs/dbraw/zinc/07/11/58/336071158.db2.gz COFJRZARINSOLK-KBPBESRZSA-N 1 2 324.446 2.505 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCCC12CCCCC2 ZINC000329730417 336074829 /nfs/dbraw/zinc/07/48/29/336074829.db2.gz HWRKWTQXPUVRML-ZDUSSCGKSA-N 1 2 302.422 2.980 20 30 DFEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1nc2c(s1)CCCC2 ZINC000329769145 336079479 /nfs/dbraw/zinc/07/94/79/336079479.db2.gz FDXJARQSIRJJLT-PHIMTYICSA-N 1 2 319.430 2.806 20 30 DFEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1nc2c(s1)CCCC2 ZINC000329769145 336079481 /nfs/dbraw/zinc/07/94/81/336079481.db2.gz FDXJARQSIRJJLT-PHIMTYICSA-N 1 2 319.430 2.806 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 ZINC000329770021 336079842 /nfs/dbraw/zinc/07/98/42/336079842.db2.gz FRWFWFRVUMNBDN-AAEUAGOBSA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 ZINC000329770021 336079844 /nfs/dbraw/zinc/07/98/44/336079844.db2.gz FRWFWFRVUMNBDN-AAEUAGOBSA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329773625 336080284 /nfs/dbraw/zinc/08/02/84/336080284.db2.gz ICAVSGXAFJAKEG-BBRMVZONSA-N 1 2 320.437 2.514 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329773625 336080285 /nfs/dbraw/zinc/08/02/85/336080285.db2.gz ICAVSGXAFJAKEG-BBRMVZONSA-N 1 2 320.437 2.514 20 30 DFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329795263 336082508 /nfs/dbraw/zinc/08/25/08/336082508.db2.gz CSDDITKPJQUAES-HRCADAONSA-N 1 2 323.481 2.570 20 30 DFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329795263 336082510 /nfs/dbraw/zinc/08/25/10/336082510.db2.gz CSDDITKPJQUAES-HRCADAONSA-N 1 2 323.481 2.570 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329801916 336083627 /nfs/dbraw/zinc/08/36/27/336083627.db2.gz YXPAUHCCVDQSEB-AWEZNQCLSA-N 1 2 320.437 2.516 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000329801916 336083628 /nfs/dbraw/zinc/08/36/28/336083628.db2.gz YXPAUHCCVDQSEB-AWEZNQCLSA-N 1 2 320.437 2.516 20 30 DFEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCO1 ZINC000329809075 336084546 /nfs/dbraw/zinc/08/45/46/336084546.db2.gz PVKGMLZWJSMXFS-ARFHVFGLSA-N 1 2 323.481 2.570 20 30 DFEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCO1 ZINC000329809075 336084547 /nfs/dbraw/zinc/08/45/47/336084547.db2.gz PVKGMLZWJSMXFS-ARFHVFGLSA-N 1 2 323.481 2.570 20 30 DFEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CCC(=O)CC1 ZINC000329838690 336088247 /nfs/dbraw/zinc/08/82/47/336088247.db2.gz NNFISJRNKYFTCK-UHFFFAOYSA-N 1 2 301.390 2.898 20 30 DFEDLO CO[C@]1(C)C[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329853066 336089473 /nfs/dbraw/zinc/08/94/73/336089473.db2.gz VEPBBIFEFATSAS-SUMWQHHRSA-N 1 2 316.405 2.981 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]c1nc2c(s1)CCCC2 ZINC000329863371 336090223 /nfs/dbraw/zinc/09/02/23/336090223.db2.gz ZCEHAUYLBNODLN-SECBINFHSA-N 1 2 317.418 2.628 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+]c1nc2c(s1)CCCC2 ZINC000329863371 336090225 /nfs/dbraw/zinc/09/02/25/336090225.db2.gz ZCEHAUYLBNODLN-SECBINFHSA-N 1 2 317.418 2.628 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)CCO2 ZINC000329902804 336093847 /nfs/dbraw/zinc/09/38/47/336093847.db2.gz HXHPAUWDLXSLHS-MAPUTHEBSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)CCO2 ZINC000329902804 336093849 /nfs/dbraw/zinc/09/38/49/336093849.db2.gz HXHPAUWDLXSLHS-MAPUTHEBSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000329925639 336095905 /nfs/dbraw/zinc/09/59/05/336095905.db2.gz JZEUJTSIMMQYJT-AJNGGQMLSA-N 1 2 324.465 2.694 20 30 DFEDLO CCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329941659 336097769 /nfs/dbraw/zinc/09/77/69/336097769.db2.gz VDSRQJUHLXHGNX-RRFJBIMHSA-N 1 2 319.453 2.581 20 30 DFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC=CCC2)cn1 ZINC000329974832 336101940 /nfs/dbraw/zinc/10/19/40/336101940.db2.gz DFZRPZTWDPXBJH-JYJNAYRXSA-N 1 2 320.412 2.645 20 30 DFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC=CCC2)cn1 ZINC000329974832 336101941 /nfs/dbraw/zinc/10/19/41/336101941.db2.gz DFZRPZTWDPXBJH-JYJNAYRXSA-N 1 2 320.412 2.645 20 30 DFEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C)CC1 ZINC000329992804 336103806 /nfs/dbraw/zinc/10/38/06/336103806.db2.gz XXAIUKOVINTCOC-STQMWFEESA-N 1 2 309.385 2.960 20 30 DFEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C)CC1 ZINC000329992804 336103808 /nfs/dbraw/zinc/10/38/08/336103808.db2.gz XXAIUKOVINTCOC-STQMWFEESA-N 1 2 309.385 2.960 20 30 DFEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC12CCCC2 ZINC000329996674 336104277 /nfs/dbraw/zinc/10/42/77/336104277.db2.gz PGBLTNKAVYJYRZ-OAHLLOKOSA-N 1 2 315.417 2.955 20 30 DFEDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ncc(C)o2)C1 ZINC000330026259 336107087 /nfs/dbraw/zinc/10/70/87/336107087.db2.gz LGVKIYVUHGONMM-LBPRGKRZSA-N 1 2 303.366 2.625 20 30 DFEDLO CCN1CCN(C(=O)Nc2cccc(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330060182 336110206 /nfs/dbraw/zinc/11/02/06/336110206.db2.gz MGBCOUIWWHEGKN-OAHLLOKOSA-N 1 2 313.405 2.642 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCCC1=O ZINC000330075426 336111374 /nfs/dbraw/zinc/11/13/74/336111374.db2.gz GIJFSNYOKSKJOT-JTQLQIEISA-N 1 2 321.327 2.949 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330092690 336112977 /nfs/dbraw/zinc/11/29/77/336112977.db2.gz ZACNQTGKKSCWSR-RVKKMQEKSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330092690 336112979 /nfs/dbraw/zinc/11/29/79/336112979.db2.gz ZACNQTGKKSCWSR-RVKKMQEKSA-N 1 2 324.465 2.792 20 30 DFEDLO CC(C)C1(C)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330182661 336121542 /nfs/dbraw/zinc/12/15/42/336121542.db2.gz HJJQCAJOTPQATK-CQSZACIVSA-N 1 2 304.438 2.870 20 30 DFEDLO [O-]C(N[C@H]1CSc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183823 336121960 /nfs/dbraw/zinc/12/19/60/336121960.db2.gz IEZGLTQVNNQCMN-YPMHNXCESA-N 1 2 314.414 2.549 20 30 DFEDLO CC(C)(C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000330198811 336123567 /nfs/dbraw/zinc/12/35/67/336123567.db2.gz UQFCVYOWVMYKRK-AWEZNQCLSA-N 1 2 304.438 2.918 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909323 336128230 /nfs/dbraw/zinc/12/82/30/336128230.db2.gz TZCDCUXADLSHGB-OLZOCXBDSA-N 1 2 323.437 2.669 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909323 336128231 /nfs/dbraw/zinc/12/82/31/336128231.db2.gz TZCDCUXADLSHGB-OLZOCXBDSA-N 1 2 323.437 2.669 20 30 DFEDLO CC[C@@H]1Cc2ccccc2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330266385 336131443 /nfs/dbraw/zinc/13/14/43/336131443.db2.gz HPVTWUKZDJSPGG-IAGOWNOFSA-N 1 2 324.428 2.949 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330267165 336131742 /nfs/dbraw/zinc/13/17/42/336131742.db2.gz HZHYCYHNHGHXFY-HUUCEWRRSA-N 1 2 304.438 2.870 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000330274943 336132561 /nfs/dbraw/zinc/13/25/61/336132561.db2.gz KVVWEGLLVGXVLH-KFWWJZLASA-N 1 2 320.437 2.769 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)C1 ZINC000330291378 336135936 /nfs/dbraw/zinc/13/59/36/336135936.db2.gz GLMSPSMQDCBOEM-NWDGAFQWSA-N 1 2 312.364 2.559 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000331903566 336152365 /nfs/dbraw/zinc/15/23/65/336152365.db2.gz MBTZRLRAYHWOFD-KRWDZBQOSA-N 1 2 310.401 2.666 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331903566 336152366 /nfs/dbraw/zinc/15/23/66/336152366.db2.gz MBTZRLRAYHWOFD-KRWDZBQOSA-N 1 2 310.401 2.666 20 30 DFEDLO CCN1CCN(C(=O)NC2CCCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330337732 336168682 /nfs/dbraw/zinc/16/86/82/336168682.db2.gz UITYJGHZMQQZRB-HNNXBMFYSA-N 1 2 319.453 2.725 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000352180392 336199560 /nfs/dbraw/zinc/19/95/60/336199560.db2.gz MNJUPJGPEBUYFD-AEFFLSMTSA-N 1 2 322.412 2.997 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352449978 336219816 /nfs/dbraw/zinc/21/98/16/336219816.db2.gz PQSWBSFTSSCPAA-HNNXBMFYSA-N 1 2 319.380 2.740 20 30 DFEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(F)(C#N)CC1 ZINC000352467733 336220462 /nfs/dbraw/zinc/22/04/62/336220462.db2.gz NDTQUSAOWUODBF-NSHDSACASA-N 1 2 301.325 2.520 20 30 DFEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000352484168 336221444 /nfs/dbraw/zinc/22/14/44/336221444.db2.gz MJOJLVVDKJHPOY-AWEZNQCLSA-N 1 2 321.783 2.773 20 30 DFEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489611 336221730 /nfs/dbraw/zinc/22/17/30/336221730.db2.gz CATPQFJEINTHDP-ZDUSSCGKSA-N 1 2 303.381 2.904 20 30 DFEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000352492062 336221875 /nfs/dbraw/zinc/22/18/75/336221875.db2.gz VGQRUFVSIBNTBS-AWEZNQCLSA-N 1 2 321.783 2.773 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000563950458 336388106 /nfs/dbraw/zinc/38/81/06/336388106.db2.gz KWTCGMZLBLSQSW-UHFFFAOYSA-N 1 2 315.376 2.750 20 30 DFEDLO C[C@H](CC#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369848128 336873024 /nfs/dbraw/zinc/87/30/24/336873024.db2.gz SBALWLFXLZKTKF-UKRRQHHQSA-N 1 2 308.385 2.531 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370598333 336888280 /nfs/dbraw/zinc/88/82/80/336888280.db2.gz RIOPKQANLWYWBY-OAHLLOKOSA-N 1 2 311.360 2.631 20 30 DFEDLO COc1ccccc1-c1ncc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418141394 336896431 /nfs/dbraw/zinc/89/64/31/336896431.db2.gz KZMHERNZUSBHOJ-UHFFFAOYSA-N 1 2 308.385 2.936 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)OCC ZINC000372452082 336931826 /nfs/dbraw/zinc/93/18/26/336931826.db2.gz VHOFRLIZYZNTKU-HZPDHXFCSA-N 1 2 317.433 2.538 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000372861381 336941308 /nfs/dbraw/zinc/94/13/08/336941308.db2.gz BTPZVTFLSDAQHF-INIZCTEOSA-N 1 2 322.412 2.581 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000373393283 336958929 /nfs/dbraw/zinc/95/89/29/336958929.db2.gz OPKBBGZZJUHMDM-CABCVRRESA-N 1 2 320.437 2.848 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000374247624 336984692 /nfs/dbraw/zinc/98/46/92/336984692.db2.gz GJTDWRKOOSVLOB-YMAMQOFZSA-N 1 2 315.421 2.976 20 30 DFEDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374294915 336986297 /nfs/dbraw/zinc/98/62/97/336986297.db2.gz SXYLXJGCGUGMIM-CYBMUJFWSA-N 1 2 323.400 2.960 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050150 337011539 /nfs/dbraw/zinc/01/15/39/337011539.db2.gz MMPOWTTXAKJWNU-GOEBONIOSA-N 1 2 304.434 2.958 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050150 337011540 /nfs/dbraw/zinc/01/15/40/337011540.db2.gz MMPOWTTXAKJWNU-GOEBONIOSA-N 1 2 304.434 2.958 20 30 DFEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531729 337013036 /nfs/dbraw/zinc/01/30/36/337013036.db2.gz MDVIWRVQKAOIAM-IAGOWNOFSA-N 1 2 317.816 2.762 20 30 DFEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531729 337013037 /nfs/dbraw/zinc/01/30/37/337013037.db2.gz MDVIWRVQKAOIAM-IAGOWNOFSA-N 1 2 317.816 2.762 20 30 DFEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531731 337013151 /nfs/dbraw/zinc/01/31/51/337013151.db2.gz MDVIWRVQKAOIAM-SJORKVTESA-N 1 2 317.816 2.762 20 30 DFEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531731 337013152 /nfs/dbraw/zinc/01/31/52/337013152.db2.gz MDVIWRVQKAOIAM-SJORKVTESA-N 1 2 317.816 2.762 20 30 DFEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000375695471 337016967 /nfs/dbraw/zinc/01/69/67/337016967.db2.gz CNTMMPIOEYGLIN-UHFFFAOYSA-N 1 2 320.396 2.577 20 30 DFEDLO N#C[C@@H]1[N@H+](C[C@H](O)C2CCCCC2)CCC[C@]12CCCCO2 ZINC000375916261 337023091 /nfs/dbraw/zinc/02/30/91/337023091.db2.gz LHAPIRBBXJBCGJ-OKZBNKHCSA-N 1 2 306.450 2.855 20 30 DFEDLO N#C[C@@H]1[N@@H+](C[C@H](O)C2CCCCC2)CCC[C@]12CCCCO2 ZINC000375916261 337023092 /nfs/dbraw/zinc/02/30/92/337023092.db2.gz LHAPIRBBXJBCGJ-OKZBNKHCSA-N 1 2 306.450 2.855 20 30 DFEDLO N#C[C@@H]1[N@H+](C[C@@H](O)C2CCCCC2)CCC[C@]12CCCCO2 ZINC000375916260 337023129 /nfs/dbraw/zinc/02/31/29/337023129.db2.gz LHAPIRBBXJBCGJ-FGTMMUONSA-N 1 2 306.450 2.855 20 30 DFEDLO N#C[C@@H]1[N@@H+](C[C@@H](O)C2CCCCC2)CCC[C@]12CCCCO2 ZINC000375916260 337023130 /nfs/dbraw/zinc/02/31/30/337023130.db2.gz LHAPIRBBXJBCGJ-FGTMMUONSA-N 1 2 306.450 2.855 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376162834 337028613 /nfs/dbraw/zinc/02/86/13/337028613.db2.gz PAWFVLUHFFHJFD-CABCVRRESA-N 1 2 308.385 2.531 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000376166266 337028703 /nfs/dbraw/zinc/02/87/03/337028703.db2.gz LDEZGAWXBGQMIZ-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO C=CCCCCCCNC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000377040352 337045831 /nfs/dbraw/zinc/04/58/31/337045831.db2.gz CAKPPKQNMWFDAG-HNNXBMFYSA-N 1 2 319.453 2.544 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000377387924 337051623 /nfs/dbraw/zinc/05/16/23/337051623.db2.gz CCVGQLBGDSCVLA-KGLIPLIRSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nccs1 ZINC000377387924 337051624 /nfs/dbraw/zinc/05/16/24/337051624.db2.gz CCVGQLBGDSCVLA-KGLIPLIRSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377725123 337059772 /nfs/dbraw/zinc/05/97/72/337059772.db2.gz PPIYUNVPMIOLIU-CYBMUJFWSA-N 1 2 312.373 2.654 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377725123 337059773 /nfs/dbraw/zinc/05/97/73/337059773.db2.gz PPIYUNVPMIOLIU-CYBMUJFWSA-N 1 2 312.373 2.654 20 30 DFEDLO C#CC[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378511970 337074790 /nfs/dbraw/zinc/07/47/90/337074790.db2.gz ABXXBSXDIQZPCE-ZBFHGGJFSA-N 1 2 307.397 2.641 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000172309586 337091832 /nfs/dbraw/zinc/09/18/32/337091832.db2.gz ZKGFMFTXTSMTGK-FZKQIMNGSA-N 1 2 310.401 2.933 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000582592980 337110995 /nfs/dbraw/zinc/11/09/95/337110995.db2.gz RCGJEGBWPAUUSP-INIZCTEOSA-N 1 2 310.401 2.596 20 30 DFEDLO CCOC(=O)c1c(C)onc1C[NH+]1CCC(CCC#N)CC1 ZINC000583082193 337237206 /nfs/dbraw/zinc/23/72/06/337237206.db2.gz JOPVTNNEEUVCSE-UHFFFAOYSA-N 1 2 305.378 2.676 20 30 DFEDLO C=CC[N@H+](CC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297694 337277943 /nfs/dbraw/zinc/27/79/43/337277943.db2.gz CVXXHROFAQXLIF-UHFFFAOYSA-N 1 2 317.389 2.642 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297694 337277944 /nfs/dbraw/zinc/27/79/44/337277944.db2.gz CVXXHROFAQXLIF-UHFFFAOYSA-N 1 2 317.389 2.642 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190501357 337288823 /nfs/dbraw/zinc/28/88/23/337288823.db2.gz ZLCBUOLCCZEZPF-ZDUSSCGKSA-N 1 2 302.353 2.507 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000191099764 337294069 /nfs/dbraw/zinc/29/40/69/337294069.db2.gz OKGLGKAKCRDARP-NSHDSACASA-N 1 2 321.446 2.797 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000191099764 337294070 /nfs/dbraw/zinc/29/40/70/337294070.db2.gz OKGLGKAKCRDARP-NSHDSACASA-N 1 2 321.446 2.797 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000583325360 337316271 /nfs/dbraw/zinc/31/62/71/337316271.db2.gz JIYIXBMXJZFYKZ-QGZVFWFLSA-N 1 2 315.348 2.659 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000583875249 337367958 /nfs/dbraw/zinc/36/79/58/337367958.db2.gz CBRWXFXJWTXRNG-ZDUSSCGKSA-N 1 2 318.179 2.706 20 30 DFEDLO C=CCn1cc(CNc2[nH+]ccc(C)c2Br)nn1 ZINC000425265199 337444534 /nfs/dbraw/zinc/44/45/34/337444534.db2.gz UDMCGKSIMMYTBW-UHFFFAOYSA-N 1 2 308.183 2.542 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)C(C#N)(CC)CC)c[nH+]1 ZINC000528016776 337784017 /nfs/dbraw/zinc/78/40/17/337784017.db2.gz VDHRQSHGCGXIFV-UHFFFAOYSA-N 1 2 302.422 2.874 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC)c2OC(C)C)nn1 ZINC000424173003 337794029 /nfs/dbraw/zinc/79/40/29/337794029.db2.gz ORWXIUAZNNDKAM-UHFFFAOYSA-N 1 2 316.405 2.550 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000424545764 337857956 /nfs/dbraw/zinc/85/79/56/337857956.db2.gz PNZWQDAFQZHSNH-UHFFFAOYSA-N 1 2 316.445 2.812 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCCCC2 ZINC000516475496 338013182 /nfs/dbraw/zinc/01/31/82/338013182.db2.gz IZQGIIKEQUAIJF-MRXNPFEDSA-N 1 2 305.447 2.591 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCCC2 ZINC000516475492 338013211 /nfs/dbraw/zinc/01/32/11/338013211.db2.gz IZQGIIKEQUAIJF-INIZCTEOSA-N 1 2 305.447 2.591 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437465091 338311056 /nfs/dbraw/zinc/31/10/56/338311056.db2.gz DMZVGWGERCWUSB-WBVHZDCISA-N 1 2 311.385 2.583 20 30 DFEDLO O[C@@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438061275 338329369 /nfs/dbraw/zinc/32/93/69/338329369.db2.gz JOMXDHOGOJPGHM-AWEZNQCLSA-N 1 2 301.283 2.566 20 30 DFEDLO O[C@@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438061275 338329370 /nfs/dbraw/zinc/32/93/70/338329370.db2.gz JOMXDHOGOJPGHM-AWEZNQCLSA-N 1 2 301.283 2.566 20 30 DFEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000448623157 338379078 /nfs/dbraw/zinc/37/90/78/338379078.db2.gz QNGFKKDIRCFVPO-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CCCCC1 ZINC000451687551 338741923 /nfs/dbraw/zinc/74/19/23/338741923.db2.gz CQAKLJXUSRRXSU-SJORKVTESA-N 1 2 320.477 2.835 20 30 DFEDLO C=CCC1(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000453974768 338853483 /nfs/dbraw/zinc/85/34/83/338853483.db2.gz NZRRJUHTBBNSNY-UHFFFAOYSA-N 1 2 315.417 2.890 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000455307881 338889845 /nfs/dbraw/zinc/88/98/45/338889845.db2.gz JCKOCFQMTIETPW-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000459457163 339030303 /nfs/dbraw/zinc/03/03/03/339030303.db2.gz CTHDYXPZBYLYNQ-GVXVVHGQSA-N 1 2 321.808 2.957 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000466367137 339201096 /nfs/dbraw/zinc/20/10/96/339201096.db2.gz PZKWMHIXYCECKC-AWEZNQCLSA-N 1 2 307.463 2.930 20 30 DFEDLO C#CCn1ccc(CN(CC)C(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000491096919 339848821 /nfs/dbraw/zinc/84/88/21/339848821.db2.gz XVJTWALWOZSGFT-UHFFFAOYSA-N 1 2 311.389 2.582 20 30 DFEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000491708844 339875374 /nfs/dbraw/zinc/87/53/74/339875374.db2.gz QJBNVTDZTIUGBO-MRXNPFEDSA-N 1 2 314.433 2.673 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491710775 339875565 /nfs/dbraw/zinc/87/55/65/339875565.db2.gz YYVSHZJVHSEGAX-SJLPKXTDSA-N 1 2 324.428 2.904 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000491744203 339878056 /nfs/dbraw/zinc/87/80/56/339878056.db2.gz YPKVCJPZWSFVEI-CJNGLKHVSA-N 1 2 313.788 2.590 20 30 DFEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000496414523 340004945 /nfs/dbraw/zinc/00/49/45/340004945.db2.gz ILQAXYUKSVTLFH-UHFFFAOYSA-N 1 2 308.407 2.883 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](C(C)(C)C#N)C[C@@H]21 ZINC000496472863 340006238 /nfs/dbraw/zinc/00/62/38/340006238.db2.gz AHUSZRUQRNTUKG-HZSPNIEDSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C(C)(C)C#N)C[C@@H]21 ZINC000496472863 340006239 /nfs/dbraw/zinc/00/62/39/340006239.db2.gz AHUSZRUQRNTUKG-HZSPNIEDSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC(C)(C#N)C2)C1 ZINC000496727146 340011428 /nfs/dbraw/zinc/01/14/28/340011428.db2.gz XVOVXGKFCNJWHM-CQSZACIVSA-N 1 2 307.438 2.869 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NCc1cccc(Cl)c1)CC1CC1 ZINC000174696505 340394721 /nfs/dbraw/zinc/39/47/21/340394721.db2.gz JPRBHQAMOJCPFS-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO N#CCC[N@H+](CC(=O)NCc1cccc(Cl)c1)CC1CC1 ZINC000174696505 340394722 /nfs/dbraw/zinc/39/47/22/340394722.db2.gz JPRBHQAMOJCPFS-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000174715935 340395054 /nfs/dbraw/zinc/39/50/54/340395054.db2.gz FISURYZZFCYMNR-UHFFFAOYSA-N 1 2 311.389 2.927 20 30 DFEDLO CCC[C@@H](C#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524455573 340654547 /nfs/dbraw/zinc/65/45/47/340654547.db2.gz DKSJTUNIDOVSRI-ZDUSSCGKSA-N 1 2 316.430 2.684 20 30 DFEDLO N#CC[C@H](CC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000526004078 340708389 /nfs/dbraw/zinc/70/83/89/340708389.db2.gz NXYRZRXMIZGLLS-QGZVFWFLSA-N 1 2 310.401 2.867 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000130781436 341043614 /nfs/dbraw/zinc/04/36/14/341043614.db2.gz QRVVWRFFIBGMKL-OAHLLOKOSA-N 1 2 310.372 2.726 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000130781436 341043615 /nfs/dbraw/zinc/04/36/15/341043615.db2.gz QRVVWRFFIBGMKL-OAHLLOKOSA-N 1 2 310.372 2.726 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000132349887 341121245 /nfs/dbraw/zinc/12/12/45/341121245.db2.gz QAXYDLSWEJUNEF-UHFFFAOYSA-N 1 2 319.474 2.864 20 30 DFEDLO C=C(C)COCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000132788664 341145471 /nfs/dbraw/zinc/14/54/71/341145471.db2.gz CKBIKEWEQULWAS-VMPITWQZSA-N 1 2 311.385 2.594 20 30 DFEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000133787041 341187878 /nfs/dbraw/zinc/18/78/78/341187878.db2.gz JXSXQBJOXGJGOY-LBPRGKRZSA-N 1 2 311.341 2.503 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547671667 341226501 /nfs/dbraw/zinc/22/65/01/341226501.db2.gz ZNMFZAGJPMTCPB-HNNXBMFYSA-N 1 2 323.400 2.821 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000549770984 341302723 /nfs/dbraw/zinc/30/27/23/341302723.db2.gz KFRZFEJYAJXRAM-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000549770984 341302724 /nfs/dbraw/zinc/30/27/24/341302724.db2.gz KFRZFEJYAJXRAM-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000550140337 341311012 /nfs/dbraw/zinc/31/10/12/341311012.db2.gz DXWSDIVZNWOKMU-UHFFFAOYSA-N 1 2 313.228 2.607 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000550140337 341311013 /nfs/dbraw/zinc/31/10/13/341311013.db2.gz DXWSDIVZNWOKMU-UHFFFAOYSA-N 1 2 313.228 2.607 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000555483011 341483575 /nfs/dbraw/zinc/48/35/75/341483575.db2.gz RVUIZXKTNXNPNE-HXUWFJFHSA-N 1 2 321.424 2.779 20 30 DFEDLO C[C@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)n1cc[nH+]c1 ZINC000565047673 341515724 /nfs/dbraw/zinc/51/57/24/341515724.db2.gz OVAKTGQBKREHLX-BXUZGUMPSA-N 1 2 302.765 2.869 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000565602466 341532358 /nfs/dbraw/zinc/53/23/58/341532358.db2.gz CCGUKEXBCLTXRE-FQEVSTJZSA-N 1 2 319.408 2.831 20 30 DFEDLO Cc1cccc(OCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567995694 341644584 /nfs/dbraw/zinc/64/45/84/341644584.db2.gz SESKUUPBHOHEDL-SFHVURJKSA-N 1 2 317.433 2.504 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158745034 341663803 /nfs/dbraw/zinc/66/38/03/341663803.db2.gz CAFITGAMSDTOFV-MDZDMXLPSA-N 1 2 311.360 2.717 20 30 DFEDLO Cc1cc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000577805254 341937873 /nfs/dbraw/zinc/93/78/73/341937873.db2.gz WXGXBNAWIHPRIW-INIZCTEOSA-N 1 2 307.463 2.648 20 30 DFEDLO CC[C@@H](C)[C@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000347493219 500719458 /nfs/dbraw/zinc/71/94/58/500719458.db2.gz WPFQUGZYMFTMSO-HZPDHXFCSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000347493219 500719462 /nfs/dbraw/zinc/71/94/62/500719462.db2.gz WPFQUGZYMFTMSO-HZPDHXFCSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493219 500719465 /nfs/dbraw/zinc/71/94/65/500719465.db2.gz WPFQUGZYMFTMSO-HZPDHXFCSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493219 500719468 /nfs/dbraw/zinc/71/94/68/500719468.db2.gz WPFQUGZYMFTMSO-HZPDHXFCSA-N 1 2 300.450 2.626 20 30 DFEDLO N#CC1C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000590777154 501028906 /nfs/dbraw/zinc/02/89/06/501028906.db2.gz OMQAHJFTDHZKEL-HNNXBMFYSA-N 1 2 305.381 2.611 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000321640204 526519146 /nfs/dbraw/zinc/51/91/46/526519146.db2.gz YETLMSZZVHZLFO-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000321640204 526519149 /nfs/dbraw/zinc/51/91/49/526519149.db2.gz YETLMSZZVHZLFO-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO CCC[N@H+](Cc1nnc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000299634989 528156882 /nfs/dbraw/zinc/15/68/82/528156882.db2.gz UNUUYUFANUKVRF-UHFFFAOYSA-N 1 2 309.417 2.898 20 30 DFEDLO CCC[N@@H+](Cc1nnc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000299634989 528156887 /nfs/dbraw/zinc/15/68/87/528156887.db2.gz UNUUYUFANUKVRF-UHFFFAOYSA-N 1 2 309.417 2.898 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000358263218 536085337 /nfs/dbraw/zinc/08/53/37/536085337.db2.gz IWNLCDRJJKQQAG-GOSISDBHSA-N 1 2 323.396 2.980 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000682360393 545829128 /nfs/dbraw/zinc/82/91/28/545829128.db2.gz ZWOUMZHWENLJEW-GOSISDBHSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000682360393 545829132 /nfs/dbraw/zinc/82/91/32/545829132.db2.gz ZWOUMZHWENLJEW-GOSISDBHSA-N 1 2 319.449 2.928 20 30 DFEDLO COCC#CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000684668539 546259763 /nfs/dbraw/zinc/25/97/63/546259763.db2.gz PRJPIIQTESKLIP-UHFFFAOYSA-N 1 2 317.820 2.726 20 30 DFEDLO COCC#CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000684668539 546259767 /nfs/dbraw/zinc/25/97/67/546259767.db2.gz PRJPIIQTESKLIP-UHFFFAOYSA-N 1 2 317.820 2.726 20 30 DFEDLO Cc1ccc([C@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357355 231002777 /nfs/dbraw/zinc/00/27/77/231002777.db2.gz SEKGAOKJLPKNHP-SJLPKXTDSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357355 231002780 /nfs/dbraw/zinc/00/27/80/231002780.db2.gz SEKGAOKJLPKNHP-SJLPKXTDSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cc(C#N)cnn4)C3)[nH+]c2c1 ZINC000596189647 398352382 /nfs/dbraw/zinc/35/23/82/398352382.db2.gz KVLTVSLMUNRTJZ-CQSZACIVSA-N 1 2 318.384 2.917 20 30 DFEDLO Cc1ccc2sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2c1 ZINC000578196339 398370772 /nfs/dbraw/zinc/37/07/72/398370772.db2.gz DKEIBXVZIDUEDQ-INIZCTEOSA-N 1 2 301.415 2.783 20 30 DFEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000066394548 398374890 /nfs/dbraw/zinc/37/48/90/398374890.db2.gz SOHRNTRDLLPGPM-GFCCVEGCSA-N 1 2 323.183 2.961 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000592083716 398380911 /nfs/dbraw/zinc/38/09/11/398380911.db2.gz KIZYRAYVOZYXEM-QGZVFWFLSA-N 1 2 307.388 2.673 20 30 DFEDLO Clc1ccc(C#CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083442978 398387354 /nfs/dbraw/zinc/38/73/54/398387354.db2.gz GAIRUYABIXJZOF-UHFFFAOYSA-N 1 2 300.793 2.689 20 30 DFEDLO Cc1nc2[nH]ccc2c(N2CCN(c3ccsc3C#N)CC2)[nH+]1 ZINC000596352398 398392258 /nfs/dbraw/zinc/39/22/58/398392258.db2.gz IRELIWMQDVOHEW-UHFFFAOYSA-N 1 2 324.413 2.526 20 30 DFEDLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151138 398392809 /nfs/dbraw/zinc/39/28/09/398392809.db2.gz MOUWEJLUVPQYBT-SMDDNHRTSA-N 1 2 309.207 2.861 20 30 DFEDLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151138 398392814 /nfs/dbraw/zinc/39/28/14/398392814.db2.gz MOUWEJLUVPQYBT-SMDDNHRTSA-N 1 2 309.207 2.861 20 30 DFEDLO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000015480451 398396038 /nfs/dbraw/zinc/39/60/38/398396038.db2.gz NVZOFPLJSPFHAF-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000015480451 398396039 /nfs/dbraw/zinc/39/60/39/398396039.db2.gz NVZOFPLJSPFHAF-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cnn(C)c2C)c1C ZINC000584879055 398425144 /nfs/dbraw/zinc/42/51/44/398425144.db2.gz XKAUAOVDYPAIED-UHFFFAOYSA-N 1 2 314.433 2.648 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2cnn(C)c2C)c1C ZINC000584879055 398425145 /nfs/dbraw/zinc/42/51/45/398425145.db2.gz XKAUAOVDYPAIED-UHFFFAOYSA-N 1 2 314.433 2.648 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@](F)(c4ccccc4)C3)cnc12 ZINC000592509856 398437979 /nfs/dbraw/zinc/43/79/79/398437979.db2.gz HWIPMJMUOKHPQS-SFHVURJKSA-N 1 2 321.359 2.672 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@](F)(c4ccccc4)C3)cnc12 ZINC000592509856 398437983 /nfs/dbraw/zinc/43/79/83/398437983.db2.gz HWIPMJMUOKHPQS-SFHVURJKSA-N 1 2 321.359 2.672 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000592521699 398440108 /nfs/dbraw/zinc/44/01/08/398440108.db2.gz AYASZLNPLUXZCO-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000592521699 398440109 /nfs/dbraw/zinc/44/01/09/398440109.db2.gz AYASZLNPLUXZCO-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000067407531 398433099 /nfs/dbraw/zinc/43/30/99/398433099.db2.gz RQXIJQDDJBWOTL-CYBMUJFWSA-N 1 2 308.447 2.650 20 30 DFEDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000057877338 334953640 /nfs/dbraw/zinc/95/36/40/334953640.db2.gz IASLOTZBSNEEDH-LBPRGKRZSA-N 1 2 303.431 2.971 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000596619820 398462743 /nfs/dbraw/zinc/46/27/43/398462743.db2.gz COHGYIOFDGTQII-DOMZBBRYSA-N 1 2 323.400 2.995 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCCCCC#N)CC1 ZINC000588166107 398486783 /nfs/dbraw/zinc/48/67/83/398486783.db2.gz XRGFNPBWFYBMJI-UHFFFAOYSA-N 1 2 300.406 2.513 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000596727643 398487547 /nfs/dbraw/zinc/48/75/47/398487547.db2.gz KZDWFAOJLVNDAJ-QGZVFWFLSA-N 1 2 309.373 2.855 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000596766494 398497115 /nfs/dbraw/zinc/49/71/15/398497115.db2.gz AZUDJGDXIMYCCX-BFHYXJOUSA-N 1 2 301.394 2.729 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000596766957 398497435 /nfs/dbraw/zinc/49/74/35/398497435.db2.gz NRYUSWAVURFFQC-FPCVCCKLSA-N 1 2 315.421 2.558 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000030564347 398503269 /nfs/dbraw/zinc/50/32/69/398503269.db2.gz DKYFKRXNXVIFSR-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000596827694 398509086 /nfs/dbraw/zinc/50/90/86/398509086.db2.gz QNXFVSDRHCESKI-RBSFLKMASA-N 1 2 315.417 2.784 20 30 DFEDLO N#Cc1ccccc1-c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000091101346 398510012 /nfs/dbraw/zinc/51/00/12/398510012.db2.gz UOMRKQUQQQICRC-UHFFFAOYSA-N 1 2 316.364 2.738 20 30 DFEDLO C[C@H]1Oc2ccccc2[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588858443 398512251 /nfs/dbraw/zinc/51/22/51/398512251.db2.gz KYLQNGXKGIJBEC-ABAIWWIYSA-N 1 2 320.356 2.674 20 30 DFEDLO C[C@@H]1Oc2ccccc2[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000588858448 398512225 /nfs/dbraw/zinc/51/22/25/398512225.db2.gz KYLQNGXKGIJBEC-XHDPSFHLSA-N 1 2 320.356 2.674 20 30 DFEDLO N#CC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000596866528 398518338 /nfs/dbraw/zinc/51/83/38/398518338.db2.gz NJWPABQINDRCJA-UHFFFAOYSA-N 1 2 315.421 2.773 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC2(CCOCC2)O1 ZINC000279662075 215042665 /nfs/dbraw/zinc/04/26/65/215042665.db2.gz CQOJQXVMXJUVOE-ZDUSSCGKSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC2(CCOCC2)O1 ZINC000279662075 215042668 /nfs/dbraw/zinc/04/26/68/215042668.db2.gz CQOJQXVMXJUVOE-ZDUSSCGKSA-N 1 2 320.820 2.982 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 ZINC000589128874 398529031 /nfs/dbraw/zinc/52/90/31/398529031.db2.gz QLBIVGHPWVOPAW-GFCCVEGCSA-N 1 2 300.387 2.721 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056112 398532251 /nfs/dbraw/zinc/53/22/51/398532251.db2.gz YEGPUHDVEGAHSU-IAGOWNOFSA-N 1 2 316.401 2.662 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056112 398532254 /nfs/dbraw/zinc/53/22/54/398532254.db2.gz YEGPUHDVEGAHSU-IAGOWNOFSA-N 1 2 316.401 2.662 20 30 DFEDLO C#CCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000091480366 398532464 /nfs/dbraw/zinc/53/24/64/398532464.db2.gz SHYBQKSQELCCJF-UHFFFAOYSA-N 1 2 307.781 2.702 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)CO1 ZINC000593062481 398535733 /nfs/dbraw/zinc/53/57/33/398535733.db2.gz GTSJSZFZHYFVJZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)CO1 ZINC000593062481 398535736 /nfs/dbraw/zinc/53/57/36/398535736.db2.gz GTSJSZFZHYFVJZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596975179 398539588 /nfs/dbraw/zinc/53/95/88/398539588.db2.gz XJAOLEXBKBTKMN-IAGOWNOFSA-N 1 2 320.396 2.610 20 30 DFEDLO Cc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000091686772 398541129 /nfs/dbraw/zinc/54/11/29/398541129.db2.gz BQGJPEXOEJYLAJ-HNNXBMFYSA-N 1 2 322.416 2.689 20 30 DFEDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589314195 398544369 /nfs/dbraw/zinc/54/43/69/398544369.db2.gz UDJOSTACECEWAH-ZDUSSCGKSA-N 1 2 301.371 2.637 20 30 DFEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1ccccc1 ZINC000589311549 398544605 /nfs/dbraw/zinc/54/46/05/398544605.db2.gz QXOCHUZWKIVYGN-UHFFFAOYSA-N 1 2 300.387 2.522 20 30 DFEDLO N#Cc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000589343667 398547506 /nfs/dbraw/zinc/54/75/06/398547506.db2.gz JKTNHWPUVUQZSL-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO N#Cc1ccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000589349914 398548077 /nfs/dbraw/zinc/54/80/77/398548077.db2.gz ADEFBJPTUVBYBE-LBPRGKRZSA-N 1 2 313.336 2.593 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589322660 398545594 /nfs/dbraw/zinc/54/55/94/398545594.db2.gz BFXLLKWYRWAKEM-UHFFFAOYSA-N 1 2 303.325 2.606 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116888 398549353 /nfs/dbraw/zinc/54/93/53/398549353.db2.gz KDCUXISLJDVKJE-ZUZCIYMTSA-N 1 2 323.343 2.826 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116888 398549357 /nfs/dbraw/zinc/54/93/57/398549357.db2.gz KDCUXISLJDVKJE-ZUZCIYMTSA-N 1 2 323.343 2.826 20 30 DFEDLO N#CC1(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCOCC1 ZINC000597026269 398549902 /nfs/dbraw/zinc/54/99/02/398549902.db2.gz GFRNEFKFLJPOKK-UHFFFAOYSA-N 1 2 310.357 2.726 20 30 DFEDLO CN(C(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593127360 398553269 /nfs/dbraw/zinc/55/32/69/398553269.db2.gz OGXHRPPDVDNVEK-UHFFFAOYSA-N 1 2 305.381 2.927 20 30 DFEDLO CN(C(=O)CC[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593127360 398553273 /nfs/dbraw/zinc/55/32/73/398553273.db2.gz OGXHRPPDVDNVEK-UHFFFAOYSA-N 1 2 305.381 2.927 20 30 DFEDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589505671 398557678 /nfs/dbraw/zinc/55/76/78/398557678.db2.gz MBPHKMSAIRROKP-GFCCVEGCSA-N 1 2 307.419 2.570 20 30 DFEDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589505671 398557680 /nfs/dbraw/zinc/55/76/80/398557680.db2.gz MBPHKMSAIRROKP-GFCCVEGCSA-N 1 2 307.419 2.570 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1c(Cl)oc2ccccc21 ZINC000593153420 398559431 /nfs/dbraw/zinc/55/94/31/398559431.db2.gz OFRWJCLWNOFGEU-OAHLLOKOSA-N 1 2 305.765 2.660 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000597080853 398561976 /nfs/dbraw/zinc/56/19/76/398561976.db2.gz UJEKAWBBWOJDIO-QZTJIDSGSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000597080853 398561979 /nfs/dbraw/zinc/56/19/79/398561979.db2.gz UJEKAWBBWOJDIO-QZTJIDSGSA-N 1 2 300.402 2.980 20 30 DFEDLO CC(C)CN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597092530 398565707 /nfs/dbraw/zinc/56/57/07/398565707.db2.gz NXPCEJQDLNUJQE-UHFFFAOYSA-N 1 2 311.429 2.542 20 30 DFEDLO CC(C)CN1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597092530 398565710 /nfs/dbraw/zinc/56/57/10/398565710.db2.gz NXPCEJQDLNUJQE-UHFFFAOYSA-N 1 2 311.429 2.542 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOc2ccccc2C1 ZINC000324700566 398563081 /nfs/dbraw/zinc/56/30/81/398563081.db2.gz ACMMTMSFYZPXIM-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOc2ccccc2C1 ZINC000324700566 398563086 /nfs/dbraw/zinc/56/30/86/398563086.db2.gz ACMMTMSFYZPXIM-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)S1=O ZINC000597113640 398568470 /nfs/dbraw/zinc/56/84/70/398568470.db2.gz QCFXBTPORBWIBI-ZIAGYGMSSA-N 1 2 302.443 2.583 20 30 DFEDLO CCCn1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000597133248 398573095 /nfs/dbraw/zinc/57/30/95/398573095.db2.gz WRJVSLYAAAZMJE-UHFFFAOYSA-N 1 2 309.417 2.745 20 30 DFEDLO C=CCC1(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC1 ZINC000332972777 398573669 /nfs/dbraw/zinc/57/36/69/398573669.db2.gz SZPMYADNDHZKDS-DZGCQCFKSA-N 1 2 303.406 2.503 20 30 DFEDLO Cc1cccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)c1C ZINC000589868992 398581330 /nfs/dbraw/zinc/58/13/30/398581330.db2.gz CRLZYPXIWPYXDS-UHFFFAOYSA-N 1 2 320.400 2.993 20 30 DFEDLO N#Cc1cc(Cl)c(C(=O)N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000589967452 398586168 /nfs/dbraw/zinc/58/61/68/398586168.db2.gz CMNBNFXGBZJCMR-UHFFFAOYSA-N 1 2 321.167 2.718 20 30 DFEDLO Cc1nn(C)c(N(C)C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000590053729 398592326 /nfs/dbraw/zinc/59/23/26/398592326.db2.gz BRQJBAFSXJIFNV-AEFFLSMTSA-N 1 2 323.444 2.534 20 30 DFEDLO Cc1nn(C)c(N(C)C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000590053729 398592328 /nfs/dbraw/zinc/59/23/28/398592328.db2.gz BRQJBAFSXJIFNV-AEFFLSMTSA-N 1 2 323.444 2.534 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)CC1(C#N)CC1 ZINC000593311963 398595491 /nfs/dbraw/zinc/59/54/91/398595491.db2.gz BMRXVVNVKARYQR-OAHLLOKOSA-N 1 2 308.385 2.514 20 30 DFEDLO CCOc1c(OC)cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228169 398597813 /nfs/dbraw/zinc/59/78/13/398597813.db2.gz ANAQRYOTIAKTAP-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO CCOc1c(OC)cc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228169 398597817 /nfs/dbraw/zinc/59/78/17/398597817.db2.gz ANAQRYOTIAKTAP-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000597228943 398597825 /nfs/dbraw/zinc/59/78/25/398597825.db2.gz IWGZGHYMHNYFCK-QGZVFWFLSA-N 1 2 310.357 2.541 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000597228943 398597829 /nfs/dbraw/zinc/59/78/29/398597829.db2.gz IWGZGHYMHNYFCK-QGZVFWFLSA-N 1 2 310.357 2.541 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)C2 ZINC000597249742 398607423 /nfs/dbraw/zinc/60/74/23/398607423.db2.gz ZGGDMTUARYJAID-SCLBCKFNSA-N 1 2 314.433 2.802 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)CC2 ZINC000597249742 398607426 /nfs/dbraw/zinc/60/74/26/398607426.db2.gz ZGGDMTUARYJAID-SCLBCKFNSA-N 1 2 314.433 2.802 20 30 DFEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000042978931 398608506 /nfs/dbraw/zinc/60/85/06/398608506.db2.gz NJRWVUJATYXJSE-RDTXWAMCSA-N 1 2 317.433 2.570 20 30 DFEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000042978931 398608507 /nfs/dbraw/zinc/60/85/07/398608507.db2.gz NJRWVUJATYXJSE-RDTXWAMCSA-N 1 2 317.433 2.570 20 30 DFEDLO N#CC1(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000590158495 398602336 /nfs/dbraw/zinc/60/23/36/398602336.db2.gz LDCXPYUNTDZGLB-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO N#CCCOCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000590167828 398603227 /nfs/dbraw/zinc/60/32/27/398603227.db2.gz JERRTTPYKIZLNP-UHFFFAOYSA-N 1 2 315.236 2.799 20 30 DFEDLO N#CCCOCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000590167828 398603230 /nfs/dbraw/zinc/60/32/30/398603230.db2.gz JERRTTPYKIZLNP-UHFFFAOYSA-N 1 2 315.236 2.799 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(CSCC#N)n1 ZINC000350753275 398609842 /nfs/dbraw/zinc/60/98/42/398609842.db2.gz IOQHSKYZEFTMPG-UHFFFAOYSA-N 1 2 313.386 2.727 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000593416933 398622438 /nfs/dbraw/zinc/62/24/38/398622438.db2.gz FISNWLVQRVEBLV-VXGBXAGGSA-N 1 2 306.435 2.863 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000593416933 398622441 /nfs/dbraw/zinc/62/24/41/398622441.db2.gz FISNWLVQRVEBLV-VXGBXAGGSA-N 1 2 306.435 2.863 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072771760 398636918 /nfs/dbraw/zinc/63/69/18/398636918.db2.gz KKHDTUZGPBXKPB-AOOOYVTPSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072771760 398636923 /nfs/dbraw/zinc/63/69/23/398636923.db2.gz KKHDTUZGPBXKPB-AOOOYVTPSA-N 1 2 307.419 2.532 20 30 DFEDLO CC[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593458623 398634789 /nfs/dbraw/zinc/63/47/89/398634789.db2.gz QKEBMBDLRLENQD-OAHLLOKOSA-N 1 2 300.406 2.628 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)S1 ZINC000072768542 398635402 /nfs/dbraw/zinc/63/54/02/398635402.db2.gz YERAFBKHUNUZRZ-PHIMTYICSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)S1 ZINC000072768542 398635404 /nfs/dbraw/zinc/63/54/04/398635404.db2.gz YERAFBKHUNUZRZ-PHIMTYICSA-N 1 2 323.849 2.976 20 30 DFEDLO CC[N@H+](CC(=O)NCC1(CC#N)CC1)Cc1ccccc1Cl ZINC000357696048 398641480 /nfs/dbraw/zinc/64/14/80/398641480.db2.gz QZZNRCGIKUNNIB-UHFFFAOYSA-N 1 2 319.836 2.972 20 30 DFEDLO CC[N@@H+](CC(=O)NCC1(CC#N)CC1)Cc1ccccc1Cl ZINC000357696048 398641484 /nfs/dbraw/zinc/64/14/84/398641484.db2.gz QZZNRCGIKUNNIB-UHFFFAOYSA-N 1 2 319.836 2.972 20 30 DFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)c(F)c1 ZINC000044438306 398642453 /nfs/dbraw/zinc/64/24/53/398642453.db2.gz NWSXFEWXCSVXMN-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)c(F)c1 ZINC000044438306 398642455 /nfs/dbraw/zinc/64/24/55/398642455.db2.gz NWSXFEWXCSVXMN-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO C[NH+](C)[C@@H](CNc1cc(C#N)ccn1)c1c(F)cccc1F ZINC000287195667 219372223 /nfs/dbraw/zinc/37/22/23/219372223.db2.gz HLOCPRSVJZHKCP-AWEZNQCLSA-N 1 2 302.328 2.946 20 30 DFEDLO Cc1ccc(F)c(CCNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000590723305 398658994 /nfs/dbraw/zinc/65/89/94/398658994.db2.gz MIDWQUKIBLDJKN-UHFFFAOYSA-N 1 2 324.363 2.842 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590731847 398661705 /nfs/dbraw/zinc/66/17/05/398661705.db2.gz ZCGXAXBUPGCDRC-HNNXBMFYSA-N 1 2 311.385 2.925 20 30 DFEDLO CC[C@@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1nccs1 ZINC000072684034 191214115 /nfs/dbraw/zinc/21/41/15/191214115.db2.gz PDFLYBZFSPLTST-CQSZACIVSA-N 1 2 320.443 2.930 20 30 DFEDLO CC1(C)C[C@]1(C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597670307 398678067 /nfs/dbraw/zinc/67/80/67/398678067.db2.gz PSIRNXWTLUBHEN-RDTXWAMCSA-N 1 2 308.385 2.740 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597736718 398689163 /nfs/dbraw/zinc/68/91/63/398689163.db2.gz OEMMQZFNWYQVRH-SECBINFHSA-N 1 2 304.300 2.544 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000593937495 398705004 /nfs/dbraw/zinc/70/50/04/398705004.db2.gz YJUDJZVAYPFPSW-CQSZACIVSA-N 1 2 323.400 2.522 20 30 DFEDLO CCOc1cc(C[N@@H+](CCC#N)CCOC)cc(Cl)c1O ZINC000590952789 398706760 /nfs/dbraw/zinc/70/67/60/398706760.db2.gz HMUBEGKGSUGYBY-UHFFFAOYSA-N 1 2 312.797 2.806 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cscc1C#N ZINC000590993186 398713212 /nfs/dbraw/zinc/71/32/12/398713212.db2.gz SSNBDANZPUZOMQ-ZDUSSCGKSA-N 1 2 300.387 2.721 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000591026512 398717005 /nfs/dbraw/zinc/71/70/05/398717005.db2.gz HUQMHTRPMYAEGS-RHSMWYFYSA-N 1 2 320.458 2.774 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000591026512 398717007 /nfs/dbraw/zinc/71/70/07/398717007.db2.gz HUQMHTRPMYAEGS-RHSMWYFYSA-N 1 2 320.458 2.774 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591051151 398718806 /nfs/dbraw/zinc/71/88/06/398718806.db2.gz SSWMITKCOWSBLM-OKZBNKHCSA-N 1 2 320.396 2.722 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000594009796 398720243 /nfs/dbraw/zinc/72/02/43/398720243.db2.gz KNJFAIXMVJCRHK-YJBOKZPZSA-N 1 2 317.433 2.790 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129496868 283017908 /nfs/dbraw/zinc/01/79/08/283017908.db2.gz YCDJTPYNEPSYKE-UHFFFAOYSA-N 1 2 303.353 2.690 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129496868 283017913 /nfs/dbraw/zinc/01/79/13/283017913.db2.gz YCDJTPYNEPSYKE-UHFFFAOYSA-N 1 2 303.353 2.690 20 30 DFEDLO N#C[C@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC12CCCC2 ZINC000597942596 398725080 /nfs/dbraw/zinc/72/50/80/398725080.db2.gz CDOOQVNXLDPYCJ-IBGZPJMESA-N 1 2 324.428 2.772 20 30 DFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)CCCCC#N ZINC000594058190 398734600 /nfs/dbraw/zinc/73/46/00/398734600.db2.gz PUOJCYSPQYEGGX-INIZCTEOSA-N 1 2 310.401 2.904 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000598075107 398748628 /nfs/dbraw/zinc/74/86/28/398748628.db2.gz MWLUGZRZQCNMSD-IAGOWNOFSA-N 1 2 308.385 2.744 20 30 DFEDLO N#Cc1c(Cl)nsc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000047405197 398747414 /nfs/dbraw/zinc/74/74/14/398747414.db2.gz KJIZFYWAAUHKOU-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#CCN1CCC(Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000591365343 398753477 /nfs/dbraw/zinc/75/34/77/398753477.db2.gz VUPWLTBCYPSRSF-UHFFFAOYSA-N 1 2 324.363 2.650 20 30 DFEDLO CO[C@H](CC(C)C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000591374255 398754324 /nfs/dbraw/zinc/75/43/24/398754324.db2.gz BYASEBZHSRVGAG-RTBURBONSA-N 1 2 315.461 2.757 20 30 DFEDLO CO[C@H](CC(C)C)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000591374255 398754326 /nfs/dbraw/zinc/75/43/26/398754326.db2.gz BYASEBZHSRVGAG-RTBURBONSA-N 1 2 315.461 2.757 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N([C@H](C)C#N)C1CC1 ZINC000598137479 398761009 /nfs/dbraw/zinc/76/10/09/398761009.db2.gz LAVSBPRKAZJASH-SECBINFHSA-N 1 2 318.327 2.526 20 30 DFEDLO C=CC[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000047913212 398763987 /nfs/dbraw/zinc/76/39/87/398763987.db2.gz YOLUCOQNTULUFP-OAHLLOKOSA-N 1 2 312.417 2.910 20 30 DFEDLO CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)nn1 ZINC000591616810 398776892 /nfs/dbraw/zinc/77/68/92/398776892.db2.gz SYAIBWMFGVKXCT-OAHLLOKOSA-N 1 2 313.430 2.813 20 30 DFEDLO CN(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)nn1 ZINC000591616810 398776897 /nfs/dbraw/zinc/77/68/97/398776897.db2.gz SYAIBWMFGVKXCT-OAHLLOKOSA-N 1 2 313.430 2.813 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)c1ccc(C#N)cc1 ZINC000591616618 398777088 /nfs/dbraw/zinc/77/70/88/398777088.db2.gz XAUMZBXAMAXASE-IUODEOHRSA-N 1 2 312.373 2.686 20 30 DFEDLO Cc1cc(NC[C@@H](CO)c2ccc(Cl)cc2)c(C#N)c[nH+]1 ZINC000591825106 398792570 /nfs/dbraw/zinc/79/25/70/398792570.db2.gz ZATIIEFKGKSADJ-AWEZNQCLSA-N 1 2 301.777 2.525 20 30 DFEDLO Cc1cc(N2CCN(c3nccc(C(C)C)n3)CC2)c(C#N)c[nH+]1 ZINC000591823101 398791719 /nfs/dbraw/zinc/79/17/19/398791719.db2.gz TVJTVAUKBYAKJJ-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000049982533 398801114 /nfs/dbraw/zinc/80/11/14/398801114.db2.gz MXOLFJUUJHAMIZ-CJNGLKHVSA-N 1 2 301.434 2.962 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000049982533 398801117 /nfs/dbraw/zinc/80/11/17/398801117.db2.gz MXOLFJUUJHAMIZ-CJNGLKHVSA-N 1 2 301.434 2.962 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000049982528 398801368 /nfs/dbraw/zinc/80/13/68/398801368.db2.gz WFIRWNVMQROTKE-LSDHHAIUSA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000049982528 398801372 /nfs/dbraw/zinc/80/13/72/398801372.db2.gz WFIRWNVMQROTKE-LSDHHAIUSA-N 1 2 301.434 2.908 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000594507515 398811896 /nfs/dbraw/zinc/81/18/96/398811896.db2.gz GCJAJFVJRNVAQH-YGRLFVJLSA-N 1 2 315.352 2.518 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1cccc(-n3cccn3)c1C#N)C2 ZINC000594548551 398818885 /nfs/dbraw/zinc/81/88/85/398818885.db2.gz SHSRAWFKLCVYFH-UHFFFAOYSA-N 1 2 318.384 2.578 20 30 DFEDLO C=CCCn1cc(CSCc2cc(OC)cc(C)[nH+]2)nn1 ZINC000594558380 398821014 /nfs/dbraw/zinc/82/10/14/398821014.db2.gz LGLCAGAKOPGPJE-UHFFFAOYSA-N 1 2 304.419 3.000 20 30 DFEDLO C=CC[C@@H](CC)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000281701323 334987631 /nfs/dbraw/zinc/98/76/31/334987631.db2.gz SYRXJUFHJISNKM-MRVPVSSYSA-N 1 2 310.199 2.892 20 30 DFEDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592563 398837996 /nfs/dbraw/zinc/83/79/96/398837996.db2.gz MFKQALQHVDCIOM-UKRRQHHQSA-N 1 2 306.406 2.516 20 30 DFEDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592563 398837997 /nfs/dbraw/zinc/83/79/97/398837997.db2.gz MFKQALQHVDCIOM-UKRRQHHQSA-N 1 2 306.406 2.516 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601626 398839373 /nfs/dbraw/zinc/83/93/73/398839373.db2.gz VMQGAEJBCDGCNW-DOTOQJQBSA-N 1 2 320.408 2.808 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601626 398839374 /nfs/dbraw/zinc/83/93/74/398839374.db2.gz VMQGAEJBCDGCNW-DOTOQJQBSA-N 1 2 320.408 2.808 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453267 398840264 /nfs/dbraw/zinc/84/02/64/398840264.db2.gz IWJCJVXUQMGEQY-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453267 398840266 /nfs/dbraw/zinc/84/02/66/398840266.db2.gz IWJCJVXUQMGEQY-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cscn1 ZINC000594712061 398847389 /nfs/dbraw/zinc/84/73/89/398847389.db2.gz PKAIRLPEAFKFHS-MWLCHTKSSA-N 1 2 318.427 2.532 20 30 DFEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)n2c1CCCC2 ZINC000598678647 398854096 /nfs/dbraw/zinc/85/40/96/398854096.db2.gz JVWPVKYPMHXQJD-UHFFFAOYSA-N 1 2 303.406 2.735 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)n2c1CCCC2 ZINC000598678647 398854100 /nfs/dbraw/zinc/85/41/00/398854100.db2.gz JVWPVKYPMHXQJD-UHFFFAOYSA-N 1 2 303.406 2.735 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)N(C)CCC#N ZINC000598651155 398848262 /nfs/dbraw/zinc/84/82/62/398848262.db2.gz WSFSXIYKBUXSCX-DGCLKSJQSA-N 1 2 301.381 2.551 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C[C@H](C)C#N)C2CC2)n2c1CCCC2 ZINC000598670986 398852168 /nfs/dbraw/zinc/85/21/68/398852168.db2.gz CIJZHCIGMSOZNH-CYBMUJFWSA-N 1 2 315.417 2.735 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)n2c1CCCC2 ZINC000598670986 398852173 /nfs/dbraw/zinc/85/21/73/398852173.db2.gz CIJZHCIGMSOZNH-CYBMUJFWSA-N 1 2 315.417 2.735 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180448752 199159989 /nfs/dbraw/zinc/15/99/89/199159989.db2.gz NVVNMVYPCTZECE-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO C[N@H+](CCn1cccn1)Cc1ccc(C#N)cc1Br ZINC000181106984 199253407 /nfs/dbraw/zinc/25/34/07/199253407.db2.gz LUOGVLLDDVNJHV-UHFFFAOYSA-N 1 2 319.206 2.649 20 30 DFEDLO C[N@@H+](CCn1cccn1)Cc1ccc(C#N)cc1Br ZINC000181106984 199253409 /nfs/dbraw/zinc/25/34/09/199253409.db2.gz LUOGVLLDDVNJHV-UHFFFAOYSA-N 1 2 319.206 2.649 20 30 DFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945958 398895368 /nfs/dbraw/zinc/89/53/68/398895368.db2.gz MJSKKLBOEYTMOR-MNOVXSKESA-N 1 2 306.207 2.894 20 30 DFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945958 398895369 /nfs/dbraw/zinc/89/53/69/398895369.db2.gz MJSKKLBOEYTMOR-MNOVXSKESA-N 1 2 306.207 2.894 20 30 DFEDLO C=CCCSCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000595057723 398899087 /nfs/dbraw/zinc/89/90/87/398899087.db2.gz DBTRAUIOFUDKKW-HNNXBMFYSA-N 1 2 306.410 2.932 20 30 DFEDLO C=CCCSCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000595057723 398899089 /nfs/dbraw/zinc/89/90/89/398899089.db2.gz DBTRAUIOFUDKKW-HNNXBMFYSA-N 1 2 306.410 2.932 20 30 DFEDLO C=CCCSCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000595057723 398899092 /nfs/dbraw/zinc/89/90/92/398899092.db2.gz DBTRAUIOFUDKKW-HNNXBMFYSA-N 1 2 306.410 2.932 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)C2)c(C#N)c1C ZINC000187007469 200046215 /nfs/dbraw/zinc/04/62/15/200046215.db2.gz SFURNOMPOMHHOG-GFCCVEGCSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC3)C2)c(C#N)c1C ZINC000187007469 200046217 /nfs/dbraw/zinc/04/62/17/200046217.db2.gz SFURNOMPOMHHOG-GFCCVEGCSA-N 1 2 301.390 2.971 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000187187189 200074329 /nfs/dbraw/zinc/07/43/29/200074329.db2.gz DYSAVGGEZBZROV-GJZGRUSLSA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000187187189 200074332 /nfs/dbraw/zinc/07/43/32/200074332.db2.gz DYSAVGGEZBZROV-GJZGRUSLSA-N 1 2 308.834 2.918 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000599021772 398908700 /nfs/dbraw/zinc/90/87/00/398908700.db2.gz FLIBJVNTPNUFLD-XJKSGUPXSA-N 1 2 308.385 2.503 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187684639 200143921 /nfs/dbraw/zinc/14/39/21/200143921.db2.gz NGWZEVIPPHQMEW-QFBILLFUSA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187684639 200143922 /nfs/dbraw/zinc/14/39/22/200143922.db2.gz NGWZEVIPPHQMEW-QFBILLFUSA-N 1 2 324.428 2.834 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595288328 398916200 /nfs/dbraw/zinc/91/62/00/398916200.db2.gz YVBLNDXCJCPLSN-LJQANCHMSA-N 1 2 320.392 2.701 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595288328 398916201 /nfs/dbraw/zinc/91/62/01/398916201.db2.gz YVBLNDXCJCPLSN-LJQANCHMSA-N 1 2 320.392 2.701 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000595396754 398932201 /nfs/dbraw/zinc/93/22/01/398932201.db2.gz GIUISEMQDJJACD-INIZCTEOSA-N 1 2 314.458 2.962 20 30 DFEDLO CO[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@H]1C ZINC000189304357 200378524 /nfs/dbraw/zinc/37/85/24/200378524.db2.gz XGKKWKUBMXSMLK-ABAIWWIYSA-N 1 2 321.808 2.507 20 30 DFEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@H]1C ZINC000189304357 200378526 /nfs/dbraw/zinc/37/85/26/200378526.db2.gz XGKKWKUBMXSMLK-ABAIWWIYSA-N 1 2 321.808 2.507 20 30 DFEDLO C/C=C/C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000599201312 398938843 /nfs/dbraw/zinc/93/88/43/398938843.db2.gz IXICBKUDJIUPPB-BAABZTOOSA-N 1 2 310.405 2.923 20 30 DFEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000595449104 398941122 /nfs/dbraw/zinc/94/11/22/398941122.db2.gz NCTCBKUGDKUGNK-HKUYNNGSSA-N 1 2 303.365 2.847 20 30 DFEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000595449104 398941123 /nfs/dbraw/zinc/94/11/23/398941123.db2.gz NCTCBKUGDKUGNK-HKUYNNGSSA-N 1 2 303.365 2.847 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C(=O)OC)cn1 ZINC000599252643 398943249 /nfs/dbraw/zinc/94/32/49/398943249.db2.gz VXNGMFWGHBQGDU-UHFFFAOYSA-N 1 2 303.387 2.513 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C(=O)OC)cn1 ZINC000599252643 398943251 /nfs/dbraw/zinc/94/32/51/398943251.db2.gz VXNGMFWGHBQGDU-UHFFFAOYSA-N 1 2 303.387 2.513 20 30 DFEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)sn1 ZINC000595473603 398946001 /nfs/dbraw/zinc/94/60/01/398946001.db2.gz YAXJPFFYTFPTKG-UHFFFAOYSA-N 1 2 314.414 2.604 20 30 DFEDLO C=CCCSCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000595519151 398955201 /nfs/dbraw/zinc/95/52/01/398955201.db2.gz CXSWAUJBSZIVSR-UHFFFAOYSA-N 1 2 310.467 2.648 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(C#N)cc3)[nH+]c2c1 ZINC000056358605 398964882 /nfs/dbraw/zinc/96/48/82/398964882.db2.gz UCXSAUPSTUZXHA-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000600155935 398976261 /nfs/dbraw/zinc/97/62/61/398976261.db2.gz LBGWLYQPXBXBMM-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194318187 201201818 /nfs/dbraw/zinc/20/18/18/201201818.db2.gz SNUGMFAFJQOFJA-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000194561037 201252878 /nfs/dbraw/zinc/25/28/78/201252878.db2.gz VBYPFFCCPJGKLU-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000194561050 201253382 /nfs/dbraw/zinc/25/33/82/201253382.db2.gz VBYPFFCCPJGKLU-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614558 399000698 /nfs/dbraw/zinc/00/06/98/399000698.db2.gz DOGSXCMCFRYJFV-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO COc1ncc(Br)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614558 399000701 /nfs/dbraw/zinc/00/07/01/399000701.db2.gz DOGSXCMCFRYJFV-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614527 399000844 /nfs/dbraw/zinc/00/08/44/399000844.db2.gz IUNZBSTWUAOIHH-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614527 399000847 /nfs/dbraw/zinc/00/08/47/399000847.db2.gz IUNZBSTWUAOIHH-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595616557 399003331 /nfs/dbraw/zinc/00/33/31/399003331.db2.gz RUPVQLHKAXSMRA-TZMCWYRMSA-N 1 2 314.389 2.721 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595616557 399003333 /nfs/dbraw/zinc/00/33/33/399003333.db2.gz RUPVQLHKAXSMRA-TZMCWYRMSA-N 1 2 314.389 2.721 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620765 399006178 /nfs/dbraw/zinc/00/61/78/399006178.db2.gz QBMVEVLKNADNAL-YOEHRIQHSA-N 1 2 315.392 2.947 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620765 399006181 /nfs/dbraw/zinc/00/61/81/399006181.db2.gz QBMVEVLKNADNAL-YOEHRIQHSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623514 399007968 /nfs/dbraw/zinc/00/79/68/399007968.db2.gz RZSHJORMSJWKIK-ZIAGYGMSSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623514 399007972 /nfs/dbraw/zinc/00/79/72/399007972.db2.gz RZSHJORMSJWKIK-ZIAGYGMSSA-N 1 2 306.431 2.777 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)COC ZINC000595638929 399013638 /nfs/dbraw/zinc/01/36/38/399013638.db2.gz OVZWPDOAMXJSHJ-LLVKDONJSA-N 1 2 321.446 2.698 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)COC ZINC000595638929 399013645 /nfs/dbraw/zinc/01/36/45/399013645.db2.gz OVZWPDOAMXJSHJ-LLVKDONJSA-N 1 2 321.446 2.698 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553440 399013827 /nfs/dbraw/zinc/01/38/27/399013827.db2.gz URYYMWRRLVGXNT-PMPSAXMXSA-N 1 2 316.426 2.742 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553440 399013832 /nfs/dbraw/zinc/01/38/32/399013832.db2.gz URYYMWRRLVGXNT-PMPSAXMXSA-N 1 2 316.426 2.742 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cscn2)c(C#N)c1C ZINC000595669769 399027727 /nfs/dbraw/zinc/02/77/27/399027727.db2.gz ZXTQRSNALKWWDE-SECBINFHSA-N 1 2 320.443 2.982 20 30 DFEDLO Cc1noc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)n1 ZINC000599608642 399027936 /nfs/dbraw/zinc/02/79/36/399027936.db2.gz YRPLGOHIBOZTSN-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)n1 ZINC000599608642 399027941 /nfs/dbraw/zinc/02/79/41/399027941.db2.gz YRPLGOHIBOZTSN-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595681359 399032685 /nfs/dbraw/zinc/03/26/85/399032685.db2.gz KXGRXLIZCKWAKB-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595681359 399032690 /nfs/dbraw/zinc/03/26/90/399032690.db2.gz KXGRXLIZCKWAKB-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595679218 399032819 /nfs/dbraw/zinc/03/28/19/399032819.db2.gz CFXLRNUSHNFXRP-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595679218 399032822 /nfs/dbraw/zinc/03/28/22/399032822.db2.gz CFXLRNUSHNFXRP-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000595693138 399037450 /nfs/dbraw/zinc/03/74/50/399037450.db2.gz SAYCXWJSXZEYCP-AEGPPILISA-N 1 2 301.365 2.603 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c([N+](=O)[O-])cc1F ZINC000595694103 399037759 /nfs/dbraw/zinc/03/77/59/399037759.db2.gz LGWNHVZXNBFXLT-ZWNOBZJWSA-N 1 2 307.325 2.914 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595698860 399040612 /nfs/dbraw/zinc/04/06/12/399040612.db2.gz KLASEJKYRZKINY-BXUZGUMPSA-N 1 2 316.792 2.822 20 30 DFEDLO C=CCOCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000079398655 399040843 /nfs/dbraw/zinc/04/08/43/399040843.db2.gz XXOWVJFBDMKPLX-KRWDZBQOSA-N 1 2 313.401 2.609 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCCC1 ZINC000057430415 399042454 /nfs/dbraw/zinc/04/24/54/399042454.db2.gz OVAMCJOAULXPEL-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000595700296 399042857 /nfs/dbraw/zinc/04/28/57/399042857.db2.gz YTSARDXFWWUCDF-NWDGAFQWSA-N 1 2 323.343 2.898 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000595700294 399043045 /nfs/dbraw/zinc/04/30/45/399043045.db2.gz YTSARDXFWWUCDF-NEPJUHHUSA-N 1 2 323.343 2.898 20 30 DFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595701542 399044550 /nfs/dbraw/zinc/04/45/50/399044550.db2.gz SNGKYFMIZQXTLB-QWHCGFSZSA-N 1 2 316.361 2.514 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000595702511 399045876 /nfs/dbraw/zinc/04/58/76/399045876.db2.gz KQPPKDWWSCUVDZ-DMDPSCGWSA-N 1 2 306.797 2.734 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595706561 399047980 /nfs/dbraw/zinc/04/79/80/399047980.db2.gz YTMRKNNQNXMRNN-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)c(C#N)c1C ZINC000595705943 399047699 /nfs/dbraw/zinc/04/76/99/399047699.db2.gz YQZJWFADVKOOEJ-GXTWGEPZSA-N 1 2 316.430 2.847 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595706561 399047973 /nfs/dbraw/zinc/04/79/73/399047973.db2.gz YTMRKNNQNXMRNN-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO C[C@H](C#N)N(CC1(C[N@H+]([C@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710050 399048650 /nfs/dbraw/zinc/04/86/50/399048650.db2.gz MRRQUBXCYOENBR-HUUCEWRRSA-N 1 2 300.450 2.910 20 30 DFEDLO C[C@H](C#N)N(CC1(C[N@@H+]([C@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710050 399048655 /nfs/dbraw/zinc/04/86/55/399048655.db2.gz MRRQUBXCYOENBR-HUUCEWRRSA-N 1 2 300.450 2.910 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076169 193153906 /nfs/dbraw/zinc/15/39/06/193153906.db2.gz NNQQWLIUZRQGJO-MRXNPFEDSA-N 1 2 311.410 2.683 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076169 193153907 /nfs/dbraw/zinc/15/39/07/193153907.db2.gz NNQQWLIUZRQGJO-MRXNPFEDSA-N 1 2 311.410 2.683 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC000599677416 399059197 /nfs/dbraw/zinc/05/91/97/399059197.db2.gz HCVDEUTVCVHEOA-UHFFFAOYSA-N 1 2 321.428 2.629 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC000599677416 399059201 /nfs/dbraw/zinc/05/92/01/399059201.db2.gz HCVDEUTVCVHEOA-UHFFFAOYSA-N 1 2 321.428 2.629 20 30 DFEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C#N)CC1 ZINC000057877381 399068763 /nfs/dbraw/zinc/06/87/63/399068763.db2.gz WIOIHHRNHYTZGM-ZDUSSCGKSA-N 1 2 315.442 2.749 20 30 DFEDLO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755652 399070422 /nfs/dbraw/zinc/07/04/22/399070422.db2.gz CIGIXNPNNVFAMG-DZGCQCFKSA-N 1 2 321.218 2.789 20 30 DFEDLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755652 399070430 /nfs/dbraw/zinc/07/04/30/399070430.db2.gz CIGIXNPNNVFAMG-DZGCQCFKSA-N 1 2 321.218 2.789 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000595782253 399083152 /nfs/dbraw/zinc/08/31/52/399083152.db2.gz XVEIJVRUTJZDSQ-NTZNESFSSA-N 1 2 319.405 2.594 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000595782253 399083154 /nfs/dbraw/zinc/08/31/54/399083154.db2.gz XVEIJVRUTJZDSQ-NTZNESFSSA-N 1 2 319.405 2.594 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000595789898 399085792 /nfs/dbraw/zinc/08/57/92/399085792.db2.gz YJWKZLNQMHCXNK-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595789898 399085801 /nfs/dbraw/zinc/08/58/01/399085801.db2.gz YJWKZLNQMHCXNK-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000595789897 399086581 /nfs/dbraw/zinc/08/65/81/399086581.db2.gz YJWKZLNQMHCXNK-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595789897 399086595 /nfs/dbraw/zinc/08/65/95/399086595.db2.gz YJWKZLNQMHCXNK-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(C#N)cs1 ZINC000093012723 193193117 /nfs/dbraw/zinc/19/31/17/193193117.db2.gz VILIBEORHUNEFO-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(C#N)cs1 ZINC000093012723 193193119 /nfs/dbraw/zinc/19/31/19/193193119.db2.gz VILIBEORHUNEFO-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833083 399103561 /nfs/dbraw/zinc/10/35/61/399103561.db2.gz FNXPCFVDTXIFKQ-PKOBYXMFSA-N 1 2 311.429 2.976 20 30 DFEDLO C[C@]1(C#N)CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833083 399103566 /nfs/dbraw/zinc/10/35/66/399103566.db2.gz FNXPCFVDTXIFKQ-PKOBYXMFSA-N 1 2 311.429 2.976 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840932 399108499 /nfs/dbraw/zinc/10/84/99/399108499.db2.gz RKDMWZOUEYCTIB-QMTMVMCOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840932 399108503 /nfs/dbraw/zinc/10/85/03/399108503.db2.gz RKDMWZOUEYCTIB-QMTMVMCOSA-N 1 2 311.429 2.978 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](CC(=O)OC)C(C)C)cc1OC ZINC000093287187 193224761 /nfs/dbraw/zinc/22/47/61/193224761.db2.gz ZEVIQBUQSPVYJH-UHFFFAOYSA-N 1 2 307.390 2.643 20 30 DFEDLO C=CCOc1ccc(C[N@H+](CC(=O)OC)C(C)C)cc1OC ZINC000093287187 193224763 /nfs/dbraw/zinc/22/47/63/193224763.db2.gz ZEVIQBUQSPVYJH-UHFFFAOYSA-N 1 2 307.390 2.643 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000060476952 399133217 /nfs/dbraw/zinc/13/32/17/399133217.db2.gz IULNWTUITGWNST-UHFFFAOYSA-N 1 2 310.300 2.621 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000606986467 399134727 /nfs/dbraw/zinc/13/47/27/399134727.db2.gz XMZGJSQCXMBUDA-CYBMUJFWSA-N 1 2 300.406 2.863 20 30 DFEDLO Cc1[nH]c(CN2CCC(Oc3cccc(C#N)c3)CC2)[nH+]c1C ZINC000600111586 399139018 /nfs/dbraw/zinc/13/90/18/399139018.db2.gz DOFMZPVYZZNKFH-UHFFFAOYSA-N 1 2 310.401 2.942 20 30 DFEDLO Cc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]c1C ZINC000600111586 399139021 /nfs/dbraw/zinc/13/90/21/399139021.db2.gz DOFMZPVYZZNKFH-UHFFFAOYSA-N 1 2 310.401 2.942 20 30 DFEDLO Cn1cc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000614058848 399142940 /nfs/dbraw/zinc/14/29/40/399142940.db2.gz JQNQISQUCVCHAG-GOSISDBHSA-N 1 2 321.359 2.705 20 30 DFEDLO Cc1[nH+]c2ccccc2n1Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813433 399153796 /nfs/dbraw/zinc/15/37/96/399153796.db2.gz QGHWNSPZTYLHAQ-UKRRQHHQSA-N 1 2 306.373 2.849 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551327 399158371 /nfs/dbraw/zinc/15/83/71/399158371.db2.gz SELAXLQHSNNDMZ-KGLIPLIRSA-N 1 2 311.389 2.734 20 30 DFEDLO C[N@@H+]1CCc2ncnc(N(Cc3ccc(C#N)cc3)C3CC3)c2C1 ZINC000264919723 204269494 /nfs/dbraw/zinc/26/94/94/204269494.db2.gz LZOQQZOLVMAZQX-UHFFFAOYSA-N 1 2 319.412 2.505 20 30 DFEDLO C[N@H+]1CCc2ncnc(N(Cc3ccc(C#N)cc3)C3CC3)c2C1 ZINC000264919723 204269497 /nfs/dbraw/zinc/26/94/97/204269497.db2.gz LZOQQZOLVMAZQX-UHFFFAOYSA-N 1 2 319.412 2.505 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C(C)(C)C)nc2C)CC1 ZINC000061626558 399161717 /nfs/dbraw/zinc/16/17/17/399161717.db2.gz WWWWWEYIWWUCJA-UHFFFAOYSA-N 1 2 319.474 2.530 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761276 335016897 /nfs/dbraw/zinc/01/68/97/335016897.db2.gz KDKLITBJIPZJKJ-KZNAEPCWSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761276 335016899 /nfs/dbraw/zinc/01/68/99/335016899.db2.gz KDKLITBJIPZJKJ-KZNAEPCWSA-N 1 2 319.832 2.553 20 30 DFEDLO Cc1cc(NCc2cn3c([nH+]2)CCCC3)cc(C#N)c1[N+](=O)[O-] ZINC000596104430 399175361 /nfs/dbraw/zinc/17/53/61/399175361.db2.gz KUUBSXWTIJJBGG-UHFFFAOYSA-N 1 2 311.345 2.920 20 30 DFEDLO Cc1nnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C#N)c1C ZINC000063254666 399181410 /nfs/dbraw/zinc/18/14/10/399181410.db2.gz WKDPFQDOZVZSCK-UHFFFAOYSA-N 1 2 322.347 2.902 20 30 DFEDLO N#CCN1CCC(Nc2cc(Nc3ccccc3)nc[nH+]2)CC1 ZINC000596124278 399181524 /nfs/dbraw/zinc/18/15/24/399181524.db2.gz VXWYTZMLJPHKGG-UHFFFAOYSA-N 1 2 308.389 2.620 20 30 DFEDLO N#CCN1CCC(Nc2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000596124278 399181529 /nfs/dbraw/zinc/18/15/29/399181529.db2.gz VXWYTZMLJPHKGG-UHFFFAOYSA-N 1 2 308.389 2.620 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976126 399183243 /nfs/dbraw/zinc/18/32/43/399183243.db2.gz IHLLIFRTIKUNJA-NSHDSACASA-N 1 2 311.223 2.744 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976126 399183248 /nfs/dbraw/zinc/18/32/48/399183248.db2.gz IHLLIFRTIKUNJA-NSHDSACASA-N 1 2 311.223 2.744 20 30 DFEDLO CC(C)[C@@H](CNc1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000063508486 399192363 /nfs/dbraw/zinc/19/23/63/399192363.db2.gz QFHNVJJHUBTGSB-OAHLLOKOSA-N 1 2 309.360 2.605 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)s1 ZINC000081043714 399207272 /nfs/dbraw/zinc/20/72/72/399207272.db2.gz OVHVUFNCEYIRMY-UHFFFAOYSA-N 1 2 305.447 2.552 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)s1 ZINC000081043714 399207275 /nfs/dbraw/zinc/20/72/75/399207275.db2.gz OVHVUFNCEYIRMY-UHFFFAOYSA-N 1 2 305.447 2.552 20 30 DFEDLO N#Cc1cc(O)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000614364002 399218029 /nfs/dbraw/zinc/21/80/29/399218029.db2.gz LPSOEBJJLCENGV-UHFFFAOYSA-N 1 2 304.309 2.702 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000064442608 399224100 /nfs/dbraw/zinc/22/41/00/399224100.db2.gz LBFJUYVTFOXPIA-UHFFFAOYSA-N 1 2 314.360 2.661 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000064797285 399232628 /nfs/dbraw/zinc/23/26/28/399232628.db2.gz BJBHHJFKGQXYRH-AWEZNQCLSA-N 1 2 311.385 2.801 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000064797285 399232631 /nfs/dbraw/zinc/23/26/31/399232631.db2.gz BJBHHJFKGQXYRH-AWEZNQCLSA-N 1 2 311.385 2.801 20 30 DFEDLO C[C@@H]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000601130474 399235613 /nfs/dbraw/zinc/23/56/13/399235613.db2.gz VRKZHFMSFASPBO-DOMZBBRYSA-N 1 2 308.389 2.510 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000192237843 335024090 /nfs/dbraw/zinc/02/40/90/335024090.db2.gz JMHWVAURHLVERI-GHMZBOCLSA-N 1 2 315.442 2.735 20 30 DFEDLO C#CC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000192237843 335024091 /nfs/dbraw/zinc/02/40/91/335024091.db2.gz JMHWVAURHLVERI-GHMZBOCLSA-N 1 2 315.442 2.735 20 30 DFEDLO COc1cc(Br)ccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000614481375 399238848 /nfs/dbraw/zinc/23/88/48/399238848.db2.gz NICHWVKGHVVWJM-NSHDSACASA-N 1 2 322.206 2.991 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285471329 335026315 /nfs/dbraw/zinc/02/63/15/335026315.db2.gz BDVGLDWGBANGJA-RYUDHWBXSA-N 1 2 311.376 2.824 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285471325 335026540 /nfs/dbraw/zinc/02/65/40/335026540.db2.gz BDVGLDWGBANGJA-NWDGAFQWSA-N 1 2 311.376 2.824 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267563665 206146682 /nfs/dbraw/zinc/14/66/82/206146682.db2.gz HBCWNTILOBBNOR-LLVKDONJSA-N 1 2 313.336 2.832 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000267691055 206220539 /nfs/dbraw/zinc/22/05/39/206220539.db2.gz YHGBPDUQWBEBGC-UHFFFAOYSA-N 1 2 318.808 2.678 20 30 DFEDLO CC#CCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671266 399257330 /nfs/dbraw/zinc/25/73/30/399257330.db2.gz DXHSQNGRSPUGIW-UHFFFAOYSA-N 1 2 319.474 2.801 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286645857 335036551 /nfs/dbraw/zinc/03/65/51/335036551.db2.gz CLMPNFTZCFNUSL-INIZCTEOSA-N 1 2 317.433 2.772 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778176 399267416 /nfs/dbraw/zinc/26/74/16/399267416.db2.gz BTVBEFAJZDICES-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778176 399267420 /nfs/dbraw/zinc/26/74/20/399267420.db2.gz BTVBEFAJZDICES-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO Cn1c2c(nc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778176 399267424 /nfs/dbraw/zinc/26/74/24/399267424.db2.gz BTVBEFAJZDICES-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000267891957 206321782 /nfs/dbraw/zinc/32/17/82/206321782.db2.gz SFWYORIDMIRUDF-CYBMUJFWSA-N 1 2 304.390 2.705 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000267895240 206324723 /nfs/dbraw/zinc/32/47/23/206324723.db2.gz TZDNRARNFCIYIN-ZDUSSCGKSA-N 1 2 304.390 2.705 20 30 DFEDLO N#Cc1ccc(C2(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000614832046 399273729 /nfs/dbraw/zinc/27/37/29/399273729.db2.gz HYMCOUFACMRMPD-UHFFFAOYSA-N 1 2 302.337 2.876 20 30 DFEDLO C[C@@H](c1nc2c(s1)CCCC2)[NH+]1CCN(CCC#N)CC1 ZINC000601316390 399276387 /nfs/dbraw/zinc/27/63/87/399276387.db2.gz XSARGOFLSQBMJF-ZDUSSCGKSA-N 1 2 304.463 2.614 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000614963238 399285935 /nfs/dbraw/zinc/28/59/35/399285935.db2.gz WSWYTIJLVCNSNF-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000614963238 399285939 /nfs/dbraw/zinc/28/59/39/399285939.db2.gz WSWYTIJLVCNSNF-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000614962389 399285571 /nfs/dbraw/zinc/28/55/71/399285571.db2.gz AHFUYYQYBZVQKC-BBRMVZONSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000614962389 399285572 /nfs/dbraw/zinc/28/55/72/399285572.db2.gz AHFUYYQYBZVQKC-BBRMVZONSA-N 1 2 316.401 2.662 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000608783180 399295160 /nfs/dbraw/zinc/29/51/60/399295160.db2.gz SGLLBMVUPKYWDG-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO C=CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000622944573 399300738 /nfs/dbraw/zinc/30/07/38/399300738.db2.gz XUYUBAMBAVKMBS-QGZVFWFLSA-N 1 2 316.445 2.701 20 30 DFEDLO C=CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000622944573 399300741 /nfs/dbraw/zinc/30/07/41/399300741.db2.gz XUYUBAMBAVKMBS-QGZVFWFLSA-N 1 2 316.445 2.701 20 30 DFEDLO Cc1ccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000609075147 399302779 /nfs/dbraw/zinc/30/27/79/399302779.db2.gz LEUSTEQJOYCTEL-UHFFFAOYSA-N 1 2 312.402 2.746 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609098371 399303498 /nfs/dbraw/zinc/30/34/98/399303498.db2.gz AOICUARAIOMEEU-MRXNPFEDSA-N 1 2 322.368 2.569 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000615227125 399314488 /nfs/dbraw/zinc/31/44/88/399314488.db2.gz XXMAWEKKTWOYOT-KRWDZBQOSA-N 1 2 316.836 2.877 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609486753 399320002 /nfs/dbraw/zinc/32/00/02/399320002.db2.gz QESJCDZCHUQBOE-RHSMWYFYSA-N 1 2 316.405 2.822 20 30 DFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000619291573 399325804 /nfs/dbraw/zinc/32/58/04/399325804.db2.gz CNLHDUWIIDOSHO-OAHLLOKOSA-N 1 2 315.336 2.527 20 30 DFEDLO CC[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1nccs1 ZINC000609964743 399337141 /nfs/dbraw/zinc/33/71/41/399337141.db2.gz ALKWRDABBCBHSY-NSHDSACASA-N 1 2 313.390 2.760 20 30 DFEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601813201 399341178 /nfs/dbraw/zinc/34/11/78/399341178.db2.gz FFINKDIMFPKBNQ-IAGOWNOFSA-N 1 2 308.385 2.696 20 30 DFEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(C4CC4)no3)CC2)c1 ZINC000104712991 194029567 /nfs/dbraw/zinc/02/95/67/194029567.db2.gz KIUAFYYUSNQQJQ-UHFFFAOYSA-N 1 2 324.384 2.862 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H]1c1cccc(F)c1 ZINC000610282571 399353210 /nfs/dbraw/zinc/35/32/10/399353210.db2.gz CFPAFJLZWZPLGY-HNNXBMFYSA-N 1 2 322.347 2.830 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286328 399353747 /nfs/dbraw/zinc/35/37/47/399353747.db2.gz NYVWSDVFLKIOSR-NSHDSACASA-N 1 2 311.223 2.529 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286328 399353749 /nfs/dbraw/zinc/35/37/49/399353749.db2.gz NYVWSDVFLKIOSR-NSHDSACASA-N 1 2 311.223 2.529 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCC(F)(F)C1 ZINC000619527764 399357376 /nfs/dbraw/zinc/35/73/76/399357376.db2.gz OZXNHKXBGRWKRM-JTQLQIEISA-N 1 2 306.320 2.587 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000610342552 399358074 /nfs/dbraw/zinc/35/80/74/399358074.db2.gz FFAYKTIJMKMOEL-FZMZJTMJSA-N 1 2 323.343 2.675 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2SCCC(F)(F)F ZINC000619504068 399354631 /nfs/dbraw/zinc/35/46/31/399354631.db2.gz IANDIQSSNKEGTE-UHFFFAOYSA-N 1 2 301.297 2.784 20 30 DFEDLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000610351592 399359883 /nfs/dbraw/zinc/35/98/83/399359883.db2.gz KMYYTYWQYRYEGG-CQSZACIVSA-N 1 2 323.400 2.816 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000619546132 399360217 /nfs/dbraw/zinc/36/02/17/399360217.db2.gz QLHJXWFJWPPLEQ-MRXNPFEDSA-N 1 2 324.384 2.848 20 30 DFEDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc(C#N)c1 ZINC000610347613 399359074 /nfs/dbraw/zinc/35/90/74/399359074.db2.gz UWTWRWRQBPHIKM-ZDUSSCGKSA-N 1 2 323.400 2.580 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610391124 399363177 /nfs/dbraw/zinc/36/31/77/399363177.db2.gz UJKDPUHVPMRLQQ-RHSMWYFYSA-N 1 2 316.405 2.822 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000610406814 399364427 /nfs/dbraw/zinc/36/44/27/399364427.db2.gz AGXCWQPDBRKJFR-ZDUSSCGKSA-N 1 2 323.400 2.658 20 30 DFEDLO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000619620594 399368675 /nfs/dbraw/zinc/36/86/75/399368675.db2.gz RPLUQSSNQJUVLE-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000619620594 399368678 /nfs/dbraw/zinc/36/86/78/399368678.db2.gz RPLUQSSNQJUVLE-QWHCGFSZSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610453154 399369543 /nfs/dbraw/zinc/36/95/43/399369543.db2.gz WXCWDLUCUMEPKR-BBRMVZONSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610453154 399369548 /nfs/dbraw/zinc/36/95/48/399369548.db2.gz WXCWDLUCUMEPKR-BBRMVZONSA-N 1 2 316.401 2.662 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCCC(F)(F)C1 ZINC000619698298 399379036 /nfs/dbraw/zinc/37/90/36/399379036.db2.gz OUSDJRHOQFGKJP-LLVKDONJSA-N 1 2 320.347 2.977 20 30 DFEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610542605 399379094 /nfs/dbraw/zinc/37/90/94/399379094.db2.gz ILBQMXMTFIFQJE-CYBMUJFWSA-N 1 2 323.400 2.702 20 30 DFEDLO C=C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)OC ZINC000619700520 399379521 /nfs/dbraw/zinc/37/95/21/399379521.db2.gz AALNNJXYJMXBCF-HNNXBMFYSA-N 1 2 323.820 2.705 20 30 DFEDLO C=CC(C)(C)CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000623402512 399381148 /nfs/dbraw/zinc/38/11/48/399381148.db2.gz NKNSHFWVFFHMHH-UHFFFAOYSA-N 1 2 300.406 2.778 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1[nH+]cnc2c1cnn2CCC#N ZINC000610575863 399381641 /nfs/dbraw/zinc/38/16/41/399381641.db2.gz FLXFXLMQSNCHKY-IPYPFGDCSA-N 1 2 310.405 2.897 20 30 DFEDLO C[C@@H]1C[C@H]2CCCC[C@H]2N1c1[nH+]cnc2c1cnn2CCC#N ZINC000610575865 399381833 /nfs/dbraw/zinc/38/18/33/399381833.db2.gz FLXFXLMQSNCHKY-UMVBOHGHSA-N 1 2 310.405 2.897 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000610582002 399382637 /nfs/dbraw/zinc/38/26/37/399382637.db2.gz GGJLBWGFOSKGGG-RDJZCZTQSA-N 1 2 310.353 2.855 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000610582002 399382640 /nfs/dbraw/zinc/38/26/40/399382640.db2.gz GGJLBWGFOSKGGG-RDJZCZTQSA-N 1 2 310.353 2.855 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000619722031 399383109 /nfs/dbraw/zinc/38/31/09/399383109.db2.gz PWKRDUGTWQVIEH-ZDUSSCGKSA-N 1 2 317.307 2.744 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000619722031 399383110 /nfs/dbraw/zinc/38/31/10/399383110.db2.gz PWKRDUGTWQVIEH-ZDUSSCGKSA-N 1 2 317.307 2.744 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000619722030 399383437 /nfs/dbraw/zinc/38/34/37/399383437.db2.gz PWKRDUGTWQVIEH-CYBMUJFWSA-N 1 2 317.307 2.744 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000619722030 399383439 /nfs/dbraw/zinc/38/34/39/399383439.db2.gz PWKRDUGTWQVIEH-CYBMUJFWSA-N 1 2 317.307 2.744 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000619718865 399382800 /nfs/dbraw/zinc/38/28/00/399382800.db2.gz DCZMCBZAVGGWDS-TZMCWYRMSA-N 1 2 300.358 2.735 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000619718865 399382805 /nfs/dbraw/zinc/38/28/05/399382805.db2.gz DCZMCBZAVGGWDS-TZMCWYRMSA-N 1 2 300.358 2.735 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1ccccc1=O ZINC000610604069 399385990 /nfs/dbraw/zinc/38/59/90/399385990.db2.gz PILJXSQIOUWHMN-ZWKOTPCHSA-N 1 2 307.397 2.620 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccccc1=O ZINC000610604069 399385996 /nfs/dbraw/zinc/38/59/96/399385996.db2.gz PILJXSQIOUWHMN-ZWKOTPCHSA-N 1 2 307.397 2.620 20 30 DFEDLO COCC[N@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615835673 399387647 /nfs/dbraw/zinc/38/76/47/399387647.db2.gz ZGADWWQKNTWPSE-SDNWHVSQSA-N 1 2 303.362 2.860 20 30 DFEDLO COCC[N@@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615835673 399387648 /nfs/dbraw/zinc/38/76/48/399387648.db2.gz ZGADWWQKNTWPSE-SDNWHVSQSA-N 1 2 303.362 2.860 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109759403 194282467 /nfs/dbraw/zinc/28/24/67/194282467.db2.gz LXGJJJBJZXNDFT-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109759403 194282469 /nfs/dbraw/zinc/28/24/69/194282469.db2.gz LXGJJJBJZXNDFT-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000610682103 399392660 /nfs/dbraw/zinc/39/26/60/399392660.db2.gz KBQJGGNRIKCQQA-SNVBAGLBSA-N 1 2 323.299 2.550 20 30 DFEDLO CCc1c[nH]c(CC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000602082491 399392705 /nfs/dbraw/zinc/39/27/05/399392705.db2.gz FHXGTCORYRYYIC-ZDUSSCGKSA-N 1 2 310.401 2.996 20 30 DFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000602083162 399392724 /nfs/dbraw/zinc/39/27/24/399392724.db2.gz KHELLMZPMGLXLO-DAXOMENPSA-N 1 2 308.385 2.995 20 30 DFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)c1ccc(C#N)cc1 ZINC000602083162 399392726 /nfs/dbraw/zinc/39/27/26/399392726.db2.gz KHELLMZPMGLXLO-DAXOMENPSA-N 1 2 308.385 2.995 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000110116033 194311099 /nfs/dbraw/zinc/31/10/99/194311099.db2.gz OSRFWMDGJBLRPR-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000110116033 194311101 /nfs/dbraw/zinc/31/11/01/194311101.db2.gz OSRFWMDGJBLRPR-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccccc1N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110464527 194331915 /nfs/dbraw/zinc/33/19/15/194331915.db2.gz VQBHAUROJMILAM-UHFFFAOYSA-N 1 2 305.385 2.552 20 30 DFEDLO CNC(=O)C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428968052 269696318 /nfs/dbraw/zinc/69/63/18/269696318.db2.gz ONVGIBIJJHVNKO-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000611174062 399441363 /nfs/dbraw/zinc/44/13/63/399441363.db2.gz CQIUZAPNSVBMMD-UHFFFAOYSA-N 1 2 312.442 2.841 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000611176102 399441345 /nfs/dbraw/zinc/44/13/45/399441345.db2.gz UHVMUGDIAWSXNC-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(I)s1 ZINC000602448421 399447058 /nfs/dbraw/zinc/44/70/58/399447058.db2.gz SVWJKKCPGNUVCY-QMMMGPOBSA-N 1 2 320.199 2.944 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(I)s1 ZINC000602448421 399447060 /nfs/dbraw/zinc/44/70/60/399447060.db2.gz SVWJKKCPGNUVCY-QMMMGPOBSA-N 1 2 320.199 2.944 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](Cc3cccc(C#N)n3)CCO2)ccc1F ZINC000602477795 399456459 /nfs/dbraw/zinc/45/64/59/399456459.db2.gz UHHFTBODZXRVAG-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](Cc3cccc(C#N)n3)CCO2)ccc1F ZINC000602477795 399456462 /nfs/dbraw/zinc/45/64/62/399456462.db2.gz UHHFTBODZXRVAG-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623746277 399457176 /nfs/dbraw/zinc/45/71/76/399457176.db2.gz BBPWMJRWDJIKHP-CQSZACIVSA-N 1 2 312.417 2.570 20 30 DFEDLO Cc1c(Nc2[nH+]cnc3c2cnn3CCC#N)cccc1N(C)C ZINC000611415089 399473658 /nfs/dbraw/zinc/47/36/58/399473658.db2.gz YZIGMETULDDNRK-UHFFFAOYSA-N 1 2 321.388 2.858 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000611413804 399473095 /nfs/dbraw/zinc/47/30/95/399473095.db2.gz XEVYTUWUBLQIES-UHFFFAOYSA-N 1 2 304.419 2.511 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000611413804 399473099 /nfs/dbraw/zinc/47/30/99/399473099.db2.gz XEVYTUWUBLQIES-UHFFFAOYSA-N 1 2 304.419 2.511 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000611492400 399481958 /nfs/dbraw/zinc/48/19/58/399481958.db2.gz BPYVZTYLWSQVLH-NOZJJQNGSA-N 1 2 312.200 2.990 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1F ZINC000611502353 399483154 /nfs/dbraw/zinc/48/31/54/399483154.db2.gz ROTCWXNYEXLIHD-FZMZJTMJSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1F ZINC000611502353 399483156 /nfs/dbraw/zinc/48/31/56/399483156.db2.gz ROTCWXNYEXLIHD-FZMZJTMJSA-N 1 2 300.337 2.788 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000616765420 399511353 /nfs/dbraw/zinc/51/13/53/399511353.db2.gz JUQCJWYXKRPDOS-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO CCCOC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119053114 194964431 /nfs/dbraw/zinc/96/44/31/194964431.db2.gz ZGXQHAMQISSTHM-AWEZNQCLSA-N 1 2 316.401 2.743 20 30 DFEDLO CCOC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]1 ZINC000602671256 399514005 /nfs/dbraw/zinc/51/40/05/399514005.db2.gz DKHKFJQUSNAABN-WBVHZDCISA-N 1 2 323.396 2.931 20 30 DFEDLO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]1 ZINC000602671256 399514008 /nfs/dbraw/zinc/51/40/08/399514008.db2.gz DKHKFJQUSNAABN-WBVHZDCISA-N 1 2 323.396 2.931 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000120054362 195088925 /nfs/dbraw/zinc/08/89/25/195088925.db2.gz QTFCYINLYUWXQU-HNNXBMFYSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000120054362 195088926 /nfs/dbraw/zinc/08/89/26/195088926.db2.gz QTFCYINLYUWXQU-HNNXBMFYSA-N 1 2 319.380 2.796 20 30 DFEDLO Cc1cccc([C@@H](CNc2cnccc2C#N)[NH+]2CCOCC2)c1 ZINC000270002843 208056350 /nfs/dbraw/zinc/05/63/50/208056350.db2.gz YNZVUPIJAGCQFH-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000602705675 399530454 /nfs/dbraw/zinc/53/04/54/399530454.db2.gz BNUAFMJQZHDFQE-OCCSQVGLSA-N 1 2 318.421 2.547 20 30 DFEDLO C[C@H](CCC#N)C[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000602712549 399534222 /nfs/dbraw/zinc/53/42/22/399534222.db2.gz UTABMTLJCOZBOD-ZBFHGGJFSA-N 1 2 317.433 2.864 20 30 DFEDLO N#CCC[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000158974623 197314793 /nfs/dbraw/zinc/31/47/93/197314793.db2.gz HRGDCHBTXKZMBC-MRXNPFEDSA-N 1 2 311.389 2.617 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000602751821 399556408 /nfs/dbraw/zinc/55/64/08/399556408.db2.gz ZMYMJVRQILKEGM-UHFFFAOYSA-N 1 2 307.397 2.582 20 30 DFEDLO N#CCC1(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000602770336 399565763 /nfs/dbraw/zinc/56/57/63/399565763.db2.gz PWVAUCLXYJWKOE-UHFFFAOYSA-N 1 2 303.450 2.795 20 30 DFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602832508 399593874 /nfs/dbraw/zinc/59/38/74/399593874.db2.gz NURZQWMYONEKSY-UHFFFAOYSA-N 1 2 311.429 2.803 20 30 DFEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602832508 399593877 /nfs/dbraw/zinc/59/38/77/399593877.db2.gz NURZQWMYONEKSY-UHFFFAOYSA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167807 399598379 /nfs/dbraw/zinc/59/83/79/399598379.db2.gz WVSUSUVGOBRKDQ-KBXCAEBGSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167807 399598384 /nfs/dbraw/zinc/59/83/84/399598384.db2.gz WVSUSUVGOBRKDQ-KBXCAEBGSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167812 399597963 /nfs/dbraw/zinc/59/79/63/399597963.db2.gz WVSUSUVGOBRKDQ-RDTXWAMCSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167812 399597969 /nfs/dbraw/zinc/59/79/69/399597969.db2.gz WVSUSUVGOBRKDQ-RDTXWAMCSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ncccc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000602849049 399600047 /nfs/dbraw/zinc/60/00/47/399600047.db2.gz JKLSHVHPHVAYAT-VXGBXAGGSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602854241 399603888 /nfs/dbraw/zinc/60/38/88/399603888.db2.gz AQOGTDGTOZVGBC-BETUJISGSA-N 1 2 306.479 2.859 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602854241 399603891 /nfs/dbraw/zinc/60/38/91/399603891.db2.gz AQOGTDGTOZVGBC-BETUJISGSA-N 1 2 306.479 2.859 20 30 DFEDLO C[C@H]1C[NH+](Cc2nc(C(C)(C)C)cs2)C[C@H](C)N1CC#N ZINC000602867351 399608751 /nfs/dbraw/zinc/60/87/51/399608751.db2.gz YCCTVFXEWBMLJA-STQMWFEESA-N 1 2 306.479 2.859 20 30 DFEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602867538 399608776 /nfs/dbraw/zinc/60/87/76/399608776.db2.gz DRCUNPXDXKKQKV-QWHCGFSZSA-N 1 2 316.430 2.911 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868217 399608999 /nfs/dbraw/zinc/60/89/99/399608999.db2.gz IELDSLFZIHFHQA-BDAKNGLRSA-N 1 2 306.366 2.654 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000602870879 399609963 /nfs/dbraw/zinc/60/99/63/399609963.db2.gz YEQWGSDGOVGVAF-JTQLQIEISA-N 1 2 318.377 2.779 20 30 DFEDLO CCCn1ncnc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893780 399618559 /nfs/dbraw/zinc/61/85/59/399618559.db2.gz GXLVFESZNORDMJ-UHFFFAOYSA-N 1 2 324.432 2.636 20 30 DFEDLO CSC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000602923651 399628884 /nfs/dbraw/zinc/62/88/84/399628884.db2.gz UEMZSZGUIPXQOB-LLVKDONJSA-N 1 2 321.446 2.923 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccco1 ZINC000602927475 399630661 /nfs/dbraw/zinc/63/06/61/399630661.db2.gz SMGNRGGJJFVFPT-GOSISDBHSA-N 1 2 323.396 2.851 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccco1 ZINC000602927475 399630670 /nfs/dbraw/zinc/63/06/70/399630670.db2.gz SMGNRGGJJFVFPT-GOSISDBHSA-N 1 2 323.396 2.851 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000603021997 399659483 /nfs/dbraw/zinc/65/94/83/399659483.db2.gz LZGHXIJTVTUERA-XGWLTEMNSA-N 1 2 323.387 2.869 20 30 DFEDLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602976837 399645190 /nfs/dbraw/zinc/64/51/90/399645190.db2.gz UGCGCAHMXIQAPV-FUHWJXTLSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602976837 399645196 /nfs/dbraw/zinc/64/51/96/399645196.db2.gz UGCGCAHMXIQAPV-FUHWJXTLSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[C@@H]1C#N ZINC000602978865 399646397 /nfs/dbraw/zinc/64/63/97/399646397.db2.gz XQUJUEHKCJCEKB-JDCLWGPVSA-N 1 2 315.461 2.695 20 30 DFEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[C@@H]1C#N ZINC000602978865 399646399 /nfs/dbraw/zinc/64/63/99/399646399.db2.gz XQUJUEHKCJCEKB-JDCLWGPVSA-N 1 2 315.461 2.695 20 30 DFEDLO COc1cc(C[NH2+][C@@H](C)CC#N)c([N+](=O)[O-])cc1OC(F)F ZINC000612584391 399682267 /nfs/dbraw/zinc/68/22/67/399682267.db2.gz DYAJRRHRCGTTFX-QMMMGPOBSA-N 1 2 315.276 2.597 20 30 DFEDLO N#C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000112211623 542566410 /nfs/dbraw/zinc/56/64/10/542566410.db2.gz WVNLMMZJRFQVMN-INIZCTEOSA-N 1 2 324.340 2.630 20 30 DFEDLO C=CCCC[C@H](C)n1cc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)nn1 ZINC000603266330 399726425 /nfs/dbraw/zinc/72/64/25/399726425.db2.gz YEENXUHWXOHCNN-LSDHHAIUSA-N 1 2 320.437 2.580 20 30 DFEDLO C=CCCC[C@H](C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)nn1 ZINC000603266330 399726432 /nfs/dbraw/zinc/72/64/32/399726432.db2.gz YEENXUHWXOHCNN-LSDHHAIUSA-N 1 2 320.437 2.580 20 30 DFEDLO COC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000621292193 399745749 /nfs/dbraw/zinc/74/57/49/399745749.db2.gz RHQHZOLIJGYYBB-MRXNPFEDSA-N 1 2 307.821 2.817 20 30 DFEDLO COC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000621292193 399745757 /nfs/dbraw/zinc/74/57/57/399745757.db2.gz RHQHZOLIJGYYBB-MRXNPFEDSA-N 1 2 307.821 2.817 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(-c2cc3ccccc3n2CC#N)n1 ZINC000612991723 399772164 /nfs/dbraw/zinc/77/21/64/399772164.db2.gz DGSGNOYXXSYSSP-UHFFFAOYSA-N 1 2 318.340 2.539 20 30 DFEDLO CC(C)(Nc1cc(C#N)c(Br)cn1)c1[nH]cc[nH+]1 ZINC000603411261 399769193 /nfs/dbraw/zinc/76/91/93/399769193.db2.gz YLTAMGXOCACMHE-UHFFFAOYSA-N 1 2 306.167 2.786 20 30 DFEDLO COCc1cc(C#N)ccc1NC[C@H]1CCC[N@@H+]1CC(F)F ZINC000603410981 399769465 /nfs/dbraw/zinc/76/94/65/399769465.db2.gz BKUSXLWIBXJTFJ-CQSZACIVSA-N 1 2 309.360 2.846 20 30 DFEDLO COCc1cc(C#N)ccc1NC[C@H]1CCC[N@H+]1CC(F)F ZINC000603410981 399769466 /nfs/dbraw/zinc/76/94/66/399769466.db2.gz BKUSXLWIBXJTFJ-CQSZACIVSA-N 1 2 309.360 2.846 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626151389 399776695 /nfs/dbraw/zinc/77/66/95/399776695.db2.gz GVLXYVYWZVNDNL-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626151389 399776701 /nfs/dbraw/zinc/77/67/01/399776701.db2.gz GVLXYVYWZVNDNL-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000621392385 399781702 /nfs/dbraw/zinc/78/17/02/399781702.db2.gz ITGMYOVQAFCIOF-UHFFFAOYSA-N 1 2 319.449 2.563 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000621392385 399781707 /nfs/dbraw/zinc/78/17/07/399781707.db2.gz ITGMYOVQAFCIOF-UHFFFAOYSA-N 1 2 319.449 2.563 20 30 DFEDLO C[C@H]1Cc2ccccc2CN1c1[nH+]cnc2c1cnn2CCC#N ZINC000613284377 399839759 /nfs/dbraw/zinc/83/97/59/399839759.db2.gz FRUIDLAMQCCUNW-ZDUSSCGKSA-N 1 2 318.384 2.691 20 30 DFEDLO C=CCC[C@@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000316301722 543073588 /nfs/dbraw/zinc/07/35/88/543073588.db2.gz JNBSBXPHLJKPFS-JTQLQIEISA-N 1 2 300.200 2.595 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626391657 399843400 /nfs/dbraw/zinc/84/34/00/399843400.db2.gz GHTQWLKYPSRIDC-OAHLLOKOSA-N 1 2 313.401 2.604 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCc1ccccc1F ZINC000604558278 399856601 /nfs/dbraw/zinc/85/66/01/399856601.db2.gz RIYNMCCYHOTFNQ-UHFFFAOYSA-N 1 2 310.336 2.534 20 30 DFEDLO CO[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000604558193 399856381 /nfs/dbraw/zinc/85/63/81/399856381.db2.gz KZFFASAYBFUZHC-HNNXBMFYSA-N 1 2 322.372 2.540 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000052835099 425885853 /nfs/dbraw/zinc/88/58/53/425885853.db2.gz CKVQMPTWQXAQGS-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000052835099 425885854 /nfs/dbraw/zinc/88/58/54/425885854.db2.gz CKVQMPTWQXAQGS-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1nc(C#N)cs1 ZINC000357700935 543263412 /nfs/dbraw/zinc/26/34/12/543263412.db2.gz OJLNJJQJOWCQOW-UHFFFAOYSA-N 1 2 303.778 3.167 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1sccc1C#N)C2 ZINC000112665923 145198951 /nfs/dbraw/zinc/19/89/51/145198951.db2.gz PINUABRNXIWMBY-UHFFFAOYSA-N 1 2 314.414 2.675 20 30 DFEDLO CCn1cc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000248795186 146170965 /nfs/dbraw/zinc/17/09/65/146170965.db2.gz OSQWLFKNVIQVQU-KDOFPFPSSA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000248795186 146170967 /nfs/dbraw/zinc/17/09/67/146170967.db2.gz OSQWLFKNVIQVQU-KDOFPFPSSA-N 1 2 310.401 2.909 20 30 DFEDLO Cc1onc(CC(=O)Nc2c[nH+]ccc2OC(C)(C)C)c1C#N ZINC000354568863 147081774 /nfs/dbraw/zinc/08/17/74/147081774.db2.gz JOCUDEFVGFUZNC-UHFFFAOYSA-N 1 2 314.345 2.608 20 30 DFEDLO COC(=O)Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000354764612 147143478 /nfs/dbraw/zinc/14/34/78/147143478.db2.gz NOLIFNGIHRWJOZ-UHFFFAOYSA-N 1 2 320.352 2.534 20 30 DFEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000532960068 543436135 /nfs/dbraw/zinc/43/61/35/543436135.db2.gz GCCPCRJBVAABMP-UHFFFAOYSA-N 1 2 301.390 2.604 20 30 DFEDLO Cn1ncc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1C#N ZINC000355466561 147326582 /nfs/dbraw/zinc/32/65/82/147326582.db2.gz PUXNYZQCOSDDRW-UHFFFAOYSA-N 1 2 320.356 2.688 20 30 DFEDLO N#Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1OC(F)(F)F ZINC000357716119 148094237 /nfs/dbraw/zinc/09/42/37/148094237.db2.gz OXQZRBFQTDHZSE-UHFFFAOYSA-N 1 2 324.262 2.751 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361411530 149108690 /nfs/dbraw/zinc/10/86/90/149108690.db2.gz YQNHSXOYPQMWOV-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361411530 149108692 /nfs/dbraw/zinc/10/86/92/149108692.db2.gz YQNHSXOYPQMWOV-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361422381 149110847 /nfs/dbraw/zinc/11/08/47/149110847.db2.gz LHHDVSFCNMBMPJ-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361422381 149110850 /nfs/dbraw/zinc/11/08/50/149110850.db2.gz LHHDVSFCNMBMPJ-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccc(C[N@H+](CCO)Cc2cn3ccccc3c2C#N)o1 ZINC000361507142 149134457 /nfs/dbraw/zinc/13/44/57/149134457.db2.gz CMNKVYSAEHSBRZ-UHFFFAOYSA-N 1 2 309.369 2.707 20 30 DFEDLO Cc1ccc(C[N@@H+](CCO)Cc2cn3ccccc3c2C#N)o1 ZINC000361507142 149134461 /nfs/dbraw/zinc/13/44/61/149134461.db2.gz CMNKVYSAEHSBRZ-UHFFFAOYSA-N 1 2 309.369 2.707 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361650858 149180382 /nfs/dbraw/zinc/18/03/82/149180382.db2.gz BZPKLHUIZMCTCN-LJQANCHMSA-N 1 2 308.381 2.838 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361650858 149180384 /nfs/dbraw/zinc/18/03/84/149180384.db2.gz BZPKLHUIZMCTCN-LJQANCHMSA-N 1 2 308.381 2.838 20 30 DFEDLO C[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1cccc(C#N)c1 ZINC000361882659 149246089 /nfs/dbraw/zinc/24/60/89/149246089.db2.gz KGPQGDMEZWINQR-CYBMUJFWSA-N 1 2 308.385 2.786 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(F)F)CC2)c(C#N)c1C ZINC000362724562 149351243 /nfs/dbraw/zinc/35/12/43/149351243.db2.gz BNCDNZIRYJPCRY-UHFFFAOYSA-N 1 2 311.332 2.684 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1O ZINC000371463265 150050814 /nfs/dbraw/zinc/05/08/14/150050814.db2.gz HUUAUSSSLJVDNF-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1O ZINC000371463265 150050817 /nfs/dbraw/zinc/05/08/17/150050817.db2.gz HUUAUSSSLJVDNF-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO CC(C)c1ncc2c(n1)C[N@@H+](CCOc1ccccc1C#N)CC2 ZINC000373771328 150255283 /nfs/dbraw/zinc/25/52/83/150255283.db2.gz OKZGWSYCIZDGGT-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CC(C)c1ncc2c(n1)C[N@H+](CCOc1ccccc1C#N)CC2 ZINC000373771328 150255286 /nfs/dbraw/zinc/25/52/86/150255286.db2.gz OKZGWSYCIZDGGT-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H](C)O2 ZINC000373977641 150286890 /nfs/dbraw/zinc/28/68/90/150286890.db2.gz OKFULPDFCWXCOH-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1F)C[C@H](C)O2 ZINC000373977641 150286894 /nfs/dbraw/zinc/28/68/94/150286894.db2.gz OKFULPDFCWXCOH-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000374105860 150306668 /nfs/dbraw/zinc/30/66/68/150306668.db2.gz HIQWFZCNSQSUSY-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000374105860 150306670 /nfs/dbraw/zinc/30/66/70/150306670.db2.gz HIQWFZCNSQSUSY-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000374105859 150306702 /nfs/dbraw/zinc/30/67/02/150306702.db2.gz HIQWFZCNSQSUSY-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000374105859 150306705 /nfs/dbraw/zinc/30/67/05/150306705.db2.gz HIQWFZCNSQSUSY-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000374350638 150349786 /nfs/dbraw/zinc/34/97/86/150349786.db2.gz MHYKBIKUIAABIH-AWEZNQCLSA-N 1 2 315.373 2.546 20 30 DFEDLO Cc1ccc(CS(=O)(=O)Cc2ccccc2C#N)c(C)[nH+]1 ZINC000185126016 158045832 /nfs/dbraw/zinc/04/58/32/158045832.db2.gz MGCLWMKIWRXXNO-UHFFFAOYSA-N 1 2 300.383 2.685 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130863668 196117076 /nfs/dbraw/zinc/11/70/76/196117076.db2.gz QXBZJDFLENKWEQ-QGZVFWFLSA-N 1 2 322.412 2.756 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000131739660 196195402 /nfs/dbraw/zinc/19/54/02/196195402.db2.gz HTJQGCGPWBNDPE-FQEVSTJZSA-N 1 2 304.440 2.989 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000131739660 196195404 /nfs/dbraw/zinc/19/54/04/196195404.db2.gz HTJQGCGPWBNDPE-FQEVSTJZSA-N 1 2 304.440 2.989 20 30 DFEDLO Cc1cc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)nc(C)[nH+]1 ZINC000132973872 196301428 /nfs/dbraw/zinc/30/14/28/196301428.db2.gz BJLGXMOCAVBVPE-UHFFFAOYSA-N 1 2 323.400 2.670 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OCC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000667541601 543626667 /nfs/dbraw/zinc/62/66/67/543626667.db2.gz VUXCQEOWLWVPFZ-INIZCTEOSA-N 1 2 323.458 2.569 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OCC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000667541601 543626670 /nfs/dbraw/zinc/62/66/70/543626670.db2.gz VUXCQEOWLWVPFZ-INIZCTEOSA-N 1 2 323.458 2.569 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnn1CCC ZINC000668145288 543749691 /nfs/dbraw/zinc/74/96/91/543749691.db2.gz HTBTWAMDMLKLQR-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnn1CCC ZINC000668145288 543749693 /nfs/dbraw/zinc/74/96/93/543749693.db2.gz HTBTWAMDMLKLQR-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000677047983 544425864 /nfs/dbraw/zinc/42/58/64/544425864.db2.gz MMXMFQPRVGSSMO-HNNXBMFYSA-N 1 2 309.413 2.728 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000302209913 230164663 /nfs/dbraw/zinc/16/46/63/230164663.db2.gz LWLOPUNUWXHKFJ-UHFFFAOYSA-N 1 2 307.313 2.997 20 30 DFEDLO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000680428247 545007183 /nfs/dbraw/zinc/00/71/83/545007183.db2.gz XKGWTQGVQQLPSM-FZMZJTMJSA-N 1 2 305.353 2.772 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907195 425897277 /nfs/dbraw/zinc/89/72/77/425897277.db2.gz QNXLJCHTFSAQDO-UHFFFAOYSA-N 1 2 307.781 2.523 20 30 DFEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1Cl ZINC000057907270 425897279 /nfs/dbraw/zinc/89/72/79/425897279.db2.gz AZJJHEWCAKRQQQ-GFCCVEGCSA-N 1 2 305.809 2.753 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000058452038 425898180 /nfs/dbraw/zinc/89/81/80/425898180.db2.gz ICBTZUTVZBNYIC-UHFFFAOYSA-N 1 2 309.373 2.885 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645715 425912166 /nfs/dbraw/zinc/91/21/66/425912166.db2.gz WYBKRXYBBSWYAC-UHFFFAOYSA-N 1 2 314.364 2.895 20 30 DFEDLO C[C@@H]1CC=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000454298753 269851112 /nfs/dbraw/zinc/85/11/12/269851112.db2.gz IRECXQWIJYDDHO-MRXNPFEDSA-N 1 2 323.440 2.949 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000068477940 425918050 /nfs/dbraw/zinc/91/80/50/425918050.db2.gz LKADAQKOXOAUSA-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000068477940 425918051 /nfs/dbraw/zinc/91/80/51/425918051.db2.gz LKADAQKOXOAUSA-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000155793041 425927996 /nfs/dbraw/zinc/92/79/96/425927996.db2.gz AWOCUSSFGLMOTK-GFCCVEGCSA-N 1 2 309.360 2.547 20 30 DFEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000155793041 425927999 /nfs/dbraw/zinc/92/79/99/425927999.db2.gz AWOCUSSFGLMOTK-GFCCVEGCSA-N 1 2 309.360 2.547 20 30 DFEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000453235700 270001716 /nfs/dbraw/zinc/00/17/16/270001716.db2.gz MQSFXSAQXXJLCD-SJLPKXTDSA-N 1 2 320.396 2.537 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000533540420 270002831 /nfs/dbraw/zinc/00/28/31/270002831.db2.gz LWMGZZVPTPNEON-JTNHKYCSSA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000533540420 270002832 /nfs/dbraw/zinc/00/28/32/270002832.db2.gz LWMGZZVPTPNEON-JTNHKYCSSA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000533467088 270002927 /nfs/dbraw/zinc/00/29/27/270002927.db2.gz VWYNFFOPGAJKCY-BBRMVZONSA-N 1 2 323.400 2.693 20 30 DFEDLO N#Cc1cccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000069162642 425931783 /nfs/dbraw/zinc/93/17/83/425931783.db2.gz ADRNPNLEKYNREY-GOSISDBHSA-N 1 2 323.371 2.807 20 30 DFEDLO C#CCCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000156001796 425932023 /nfs/dbraw/zinc/93/20/23/425932023.db2.gz UHEFURULJXRVGJ-KRWDZBQOSA-N 1 2 316.470 2.696 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124738561 425935361 /nfs/dbraw/zinc/93/53/61/425935361.db2.gz AZKVREVPNIRSHM-CRAIPNDOSA-N 1 2 323.396 2.618 20 30 DFEDLO Clc1cccc(C#CC[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000156709484 425935836 /nfs/dbraw/zinc/93/58/36/425935836.db2.gz QIXHCUBEOGWHAF-UHFFFAOYSA-N 1 2 300.793 2.689 20 30 DFEDLO C[C@@H](CNCc1nc(C#N)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000352823203 266930874 /nfs/dbraw/zinc/93/08/74/266930874.db2.gz MVMFXDXUVSXKKK-ZDUSSCGKSA-N 1 2 312.442 2.551 20 30 DFEDLO C[C@@H](CNCc1nc(C#N)cs1)[N@H+]1CCc2ccccc2C1 ZINC000352823203 266930877 /nfs/dbraw/zinc/93/08/77/266930877.db2.gz MVMFXDXUVSXKKK-ZDUSSCGKSA-N 1 2 312.442 2.551 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000346980294 267014693 /nfs/dbraw/zinc/01/46/93/267014693.db2.gz VGHDEBPPNIJEED-IAQYHMDHSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000346980294 267014696 /nfs/dbraw/zinc/01/46/96/267014696.db2.gz VGHDEBPPNIJEED-IAQYHMDHSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000348327833 267059913 /nfs/dbraw/zinc/05/99/13/267059913.db2.gz XYNGFIBNZKJQND-JEBQAFNWSA-N 1 2 305.381 2.778 20 30 DFEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000348327833 267059917 /nfs/dbraw/zinc/05/99/17/267059917.db2.gz XYNGFIBNZKJQND-JEBQAFNWSA-N 1 2 305.381 2.778 20 30 DFEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@@H]1Oc1ccccc1 ZINC000520221347 267151520 /nfs/dbraw/zinc/15/15/20/267151520.db2.gz OFCKKJXKOZOGTL-OTWHNJEPSA-N 1 2 323.396 2.721 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000492739482 267257559 /nfs/dbraw/zinc/25/75/59/267257559.db2.gz QOEXLJXVEZNVSG-FPLPWBNLSA-N 1 2 321.384 2.700 20 30 DFEDLO CN(C)c1ccc(CNC(=O)c2cc(C#N)ccc2Cl)c[nH+]1 ZINC000505348866 267292853 /nfs/dbraw/zinc/29/28/53/267292853.db2.gz IUZSOZQSWUYFRI-UHFFFAOYSA-N 1 2 314.776 2.603 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cc(F)cc(F)c1 ZINC000444690263 267299743 /nfs/dbraw/zinc/29/97/43/267299743.db2.gz JILARWDBSNNVJG-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cc(F)cc(F)c1 ZINC000444690263 267299746 /nfs/dbraw/zinc/29/97/46/267299746.db2.gz JILARWDBSNNVJG-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459355222 267303487 /nfs/dbraw/zinc/30/34/87/267303487.db2.gz BDDWKWVMGHBFCT-UHFFFAOYSA-N 1 2 319.361 2.630 20 30 DFEDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459355222 267303491 /nfs/dbraw/zinc/30/34/91/267303491.db2.gz BDDWKWVMGHBFCT-UHFFFAOYSA-N 1 2 319.361 2.630 20 30 DFEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000459514260 267312022 /nfs/dbraw/zinc/31/20/22/267312022.db2.gz PCPPFYBDHBPMHV-CYBMUJFWSA-N 1 2 305.378 2.695 20 30 DFEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000459514260 267312025 /nfs/dbraw/zinc/31/20/25/267312025.db2.gz PCPPFYBDHBPMHV-CYBMUJFWSA-N 1 2 305.378 2.695 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419651148 267324403 /nfs/dbraw/zinc/32/44/03/267324403.db2.gz UMBDOXQXGIYGEX-MRXNPFEDSA-N 1 2 323.400 2.511 20 30 DFEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157364 267356379 /nfs/dbraw/zinc/35/63/79/267356379.db2.gz SNHPJFMPKBKYEQ-UHFFFAOYSA-N 1 2 312.316 2.543 20 30 DFEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437157364 267356380 /nfs/dbraw/zinc/35/63/80/267356380.db2.gz SNHPJFMPKBKYEQ-UHFFFAOYSA-N 1 2 312.316 2.543 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2NCCSCc1ccccc1C#N ZINC000014266183 267379726 /nfs/dbraw/zinc/37/97/26/267379726.db2.gz XZBAYAWOUXEKMY-UHFFFAOYSA-N 1 2 324.413 2.580 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352340449 267391827 /nfs/dbraw/zinc/39/18/27/267391827.db2.gz OGEJIILVPWBUBL-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO COc1ccccc1N1CC[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000425217147 267660345 /nfs/dbraw/zinc/66/03/45/267660345.db2.gz AWDFDDQFRCIWTA-HNNXBMFYSA-N 1 2 322.412 2.631 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000007017703 425632500 /nfs/dbraw/zinc/63/25/00/425632500.db2.gz JZJYYZFUEUJDCK-MRXNPFEDSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000007017703 425632503 /nfs/dbraw/zinc/63/25/03/425632503.db2.gz JZJYYZFUEUJDCK-MRXNPFEDSA-N 1 2 305.809 2.580 20 30 DFEDLO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428348580 267911426 /nfs/dbraw/zinc/91/14/26/267911426.db2.gz MRJFLVQHVVVKLW-VGSWGCGISA-N 1 2 316.401 2.907 20 30 DFEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C#N)c1 ZINC000045915239 425863146 /nfs/dbraw/zinc/86/31/46/425863146.db2.gz JKJVNVLDEMUFCP-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(C#N)c1 ZINC000045915239 425863147 /nfs/dbraw/zinc/86/31/47/425863147.db2.gz JKJVNVLDEMUFCP-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911357 425833130 /nfs/dbraw/zinc/83/31/30/425833130.db2.gz SDOLRTFBPCNCLX-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO Cc1cc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421575280 267994383 /nfs/dbraw/zinc/99/43/83/267994383.db2.gz JORJXNHBDPEMLI-GOSISDBHSA-N 1 2 318.380 2.569 20 30 DFEDLO CC(=Cc1[nH+]ccn1-c1ccccc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193613223 268073813 /nfs/dbraw/zinc/07/38/13/268073813.db2.gz VAUKENUDCMEFJX-ZRDIBKRKSA-N 1 2 317.352 2.696 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)o1 ZINC000347713687 268075304 /nfs/dbraw/zinc/07/53/04/268075304.db2.gz CSBJATDNRBWLEM-UHFFFAOYSA-N 1 2 321.262 2.503 20 30 DFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ncccc2F)c(C#N)c1C ZINC000528823402 268105151 /nfs/dbraw/zinc/10/51/51/268105151.db2.gz GQDDOFLFRFTPNZ-JTQLQIEISA-N 1 2 316.336 2.592 20 30 DFEDLO CC(C)[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccc(C#N)cc1 ZINC000195118240 268126502 /nfs/dbraw/zinc/12/65/02/268126502.db2.gz XYDNJARXOOAGST-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO CC(C)[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccc(C#N)cc1 ZINC000195118240 268126506 /nfs/dbraw/zinc/12/65/06/268126506.db2.gz XYDNJARXOOAGST-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000345344039 268157341 /nfs/dbraw/zinc/15/73/41/268157341.db2.gz ICXYRLXOOKFBHI-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000428938193 268164607 /nfs/dbraw/zinc/16/46/07/268164607.db2.gz AEOMDCNWEMLVQV-DGCLKSJQSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000428938193 268164608 /nfs/dbraw/zinc/16/46/08/268164608.db2.gz AEOMDCNWEMLVQV-DGCLKSJQSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000428938195 268164895 /nfs/dbraw/zinc/16/48/95/268164895.db2.gz AEOMDCNWEMLVQV-WCQYABFASA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000428938195 268164896 /nfs/dbraw/zinc/16/48/96/268164896.db2.gz AEOMDCNWEMLVQV-WCQYABFASA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)ncn1 ZINC000526256226 268183575 /nfs/dbraw/zinc/18/35/75/268183575.db2.gz SYPSFPMZUARKRT-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000432426625 268206475 /nfs/dbraw/zinc/20/64/75/268206475.db2.gz SVMFEMZMURVGIQ-UHFFFAOYSA-N 1 2 316.386 2.846 20 30 DFEDLO N#Cc1cc2c(nc1N1CCC(n3cc[nH+]c3)CC1)CCCC2 ZINC000270930260 268236861 /nfs/dbraw/zinc/23/68/61/268236861.db2.gz HQDKCESQLSWLTK-UHFFFAOYSA-N 1 2 307.401 2.870 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccco4)no3)CC2)c1 ZINC000341980557 268241343 /nfs/dbraw/zinc/24/13/43/268241343.db2.gz ZTTNTYUVXDGNHL-UHFFFAOYSA-N 1 2 306.325 2.980 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340381434 268244507 /nfs/dbraw/zinc/24/45/07/268244507.db2.gz YKHVIVHQUZFIBZ-OAHLLOKOSA-N 1 2 309.398 2.660 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346970571 268266099 /nfs/dbraw/zinc/26/60/99/268266099.db2.gz ACDUPEPCNDHUBQ-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346970571 268266101 /nfs/dbraw/zinc/26/61/01/268266101.db2.gz ACDUPEPCNDHUBQ-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000530908116 268278786 /nfs/dbraw/zinc/27/87/86/268278786.db2.gz ADYZNBUJJBHTDL-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419302621 268290400 /nfs/dbraw/zinc/29/04/00/268290400.db2.gz MVNKFDCHJHZUGL-UHFFFAOYSA-N 1 2 315.373 3.000 20 30 DFEDLO N#Cc1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000413230228 268312109 /nfs/dbraw/zinc/31/21/09/268312109.db2.gz ALDMJDCJKYBWLQ-UHFFFAOYSA-N 1 2 313.380 2.986 20 30 DFEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000432056743 268318979 /nfs/dbraw/zinc/31/89/79/268318979.db2.gz FSHMZNDYRHFKQA-UHFFFAOYSA-N 1 2 317.439 2.639 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000314929507 268342535 /nfs/dbraw/zinc/34/25/35/268342535.db2.gz ISLMVJABPBBNMQ-SNVBAGLBSA-N 1 2 301.371 2.652 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000319870990 268346589 /nfs/dbraw/zinc/34/65/89/268346589.db2.gz HKMPZHJSJQWPHW-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000319870990 268346591 /nfs/dbraw/zinc/34/65/91/268346591.db2.gz HKMPZHJSJQWPHW-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(C#N)s2)CC1(C)C ZINC000333128839 268376328 /nfs/dbraw/zinc/37/63/28/268376328.db2.gz WNWVLIYKFVRUME-LBPRGKRZSA-N 1 2 300.387 2.577 20 30 DFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000049412126 425879232 /nfs/dbraw/zinc/87/92/32/425879232.db2.gz YMSWYBJCVXWLIN-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO Cc1cccc2nc(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)n12 ZINC000157233595 425938210 /nfs/dbraw/zinc/93/82/10/425938210.db2.gz BCAKPENSDNJXTL-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1cccc2nc(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)n12 ZINC000157233595 425938213 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/nfs/dbraw/zinc/49/99/55/426499955.db2.gz XKJGNVRUIDIVCJ-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000195118648 426501867 /nfs/dbraw/zinc/50/18/67/426501867.db2.gz FFCYIWXUOAVFEL-AATRIKPKSA-N 1 2 306.369 2.632 20 30 DFEDLO CC[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272601564 426570283 /nfs/dbraw/zinc/57/02/83/426570283.db2.gz OVGFTZMABLCXDQ-HZPDHXFCSA-N 1 2 313.445 2.885 20 30 DFEDLO C#CCOc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000265218320 426598619 /nfs/dbraw/zinc/59/86/19/426598619.db2.gz GAQZUBLVZMHELW-IBGZPJMESA-N 1 2 322.408 2.618 20 30 DFEDLO C=C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000264480219 426561372 /nfs/dbraw/zinc/56/13/72/426561372.db2.gz PYPNMDCCWKYTPK-UHFFFAOYSA-N 1 2 300.318 2.797 20 30 DFEDLO Cn1cc[nH+]c1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280691102 426634682 /nfs/dbraw/zinc/63/46/82/426634682.db2.gz JJFVWIDWGKRIQV-UHFFFAOYSA-N 1 2 320.400 2.830 20 30 DFEDLO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000265441433 426635956 /nfs/dbraw/zinc/63/59/56/426635956.db2.gz IKSDRDRASPUVPX-QAPCUYQASA-N 1 2 315.417 2.787 20 30 DFEDLO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000265441433 426635962 /nfs/dbraw/zinc/63/59/62/426635962.db2.gz IKSDRDRASPUVPX-QAPCUYQASA-N 1 2 315.417 2.787 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000178530519 426647291 /nfs/dbraw/zinc/64/72/91/426647291.db2.gz QLIGYJRMSYTXSD-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000178530519 426647294 /nfs/dbraw/zinc/64/72/94/426647294.db2.gz QLIGYJRMSYTXSD-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1=O ZINC000281369586 426716466 /nfs/dbraw/zinc/71/64/66/426716466.db2.gz YIIUASNVQLOOJI-LSDHHAIUSA-N 1 2 313.426 2.609 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C1=O ZINC000281107836 426701775 /nfs/dbraw/zinc/70/17/75/426701775.db2.gz AYBQSXBQAQKPOB-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C1=O ZINC000281107836 426701779 /nfs/dbraw/zinc/70/17/79/426701779.db2.gz AYBQSXBQAQKPOB-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C1=O ZINC000281107833 426702575 /nfs/dbraw/zinc/70/25/75/426702575.db2.gz AYBQSXBQAQKPOB-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C1=O ZINC000281107833 426702577 /nfs/dbraw/zinc/70/25/77/426702577.db2.gz AYBQSXBQAQKPOB-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCCCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266812124 426782224 /nfs/dbraw/zinc/78/22/24/426782224.db2.gz CZHLTPDSQIZRPT-UHFFFAOYSA-N 1 2 302.418 2.557 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245922669 426783436 /nfs/dbraw/zinc/78/34/36/426783436.db2.gz GXXPIXOGBMTILA-SJORKVTESA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245922669 426783439 /nfs/dbraw/zinc/78/34/39/426783439.db2.gz GXXPIXOGBMTILA-SJORKVTESA-N 1 2 305.805 2.571 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000274200048 426724989 /nfs/dbraw/zinc/72/49/89/426724989.db2.gz RJQIQGKTMFKKAC-UHFFFAOYSA-N 1 2 311.429 2.713 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000274200048 426724995 /nfs/dbraw/zinc/72/49/95/426724995.db2.gz RJQIQGKTMFKKAC-UHFFFAOYSA-N 1 2 311.429 2.713 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274259410 426730382 /nfs/dbraw/zinc/73/03/82/426730382.db2.gz BFXHRNJPPHVCNC-FUHWJXTLSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274259410 426730384 /nfs/dbraw/zinc/73/03/84/426730384.db2.gz BFXHRNJPPHVCNC-FUHWJXTLSA-N 1 2 316.445 2.606 20 30 DFEDLO Cc1ccc([C@H](CNc2cccnc2C#N)[NH+]2CCOCC2)cc1 ZINC000290546290 426788585 /nfs/dbraw/zinc/78/85/85/426788585.db2.gz IZSDRFRMCFLGFT-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281721992 426752048 /nfs/dbraw/zinc/75/20/48/426752048.db2.gz IJFFDNOKHYFEOY-OAHLLOKOSA-N 1 2 305.422 2.939 20 30 DFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000290384008 426753284 /nfs/dbraw/zinc/75/32/84/426753284.db2.gz IHGSYTPFGUBTPV-CYBMUJFWSA-N 1 2 324.432 2.723 20 30 DFEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000290384008 426753290 /nfs/dbraw/zinc/75/32/90/426753290.db2.gz IHGSYTPFGUBTPV-CYBMUJFWSA-N 1 2 324.432 2.723 20 30 DFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000274394844 426759283 /nfs/dbraw/zinc/75/92/83/426759283.db2.gz WMMOGFLGDBIRHB-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000274592515 426798356 /nfs/dbraw/zinc/79/83/56/426798356.db2.gz PPGBMVAFWLFJIM-INIZCTEOSA-N 1 2 316.449 2.826 20 30 DFEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266931889 426798393 /nfs/dbraw/zinc/79/83/93/426798393.db2.gz OXPGRPGEYGVEJN-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266931889 426798394 /nfs/dbraw/zinc/79/83/94/426798394.db2.gz OXPGRPGEYGVEJN-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1=O ZINC000281946601 426799285 /nfs/dbraw/zinc/79/92/85/426799285.db2.gz JFWYABMSVSDNMA-RBUKOAKNSA-N 1 2 321.424 2.680 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)C1=O ZINC000281946601 426799290 /nfs/dbraw/zinc/79/92/90/426799290.db2.gz JFWYABMSVSDNMA-RBUKOAKNSA-N 1 2 321.424 2.680 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246325756 426820662 /nfs/dbraw/zinc/82/06/62/426820662.db2.gz JAVHYLYTIKFMTQ-BLLLJJGKSA-N 1 2 322.478 2.807 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246325756 426820666 /nfs/dbraw/zinc/82/06/66/426820666.db2.gz JAVHYLYTIKFMTQ-BLLLJJGKSA-N 1 2 322.478 2.807 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)C1=O ZINC000282088697 426828018 /nfs/dbraw/zinc/82/80/18/426828018.db2.gz VDIOZSXUBAIHST-NJAFHUGGSA-N 1 2 314.429 2.544 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)C1=O ZINC000282088697 426828023 /nfs/dbraw/zinc/82/80/23/426828023.db2.gz VDIOZSXUBAIHST-NJAFHUGGSA-N 1 2 314.429 2.544 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC(n4cc[nH+]c4)CC3)CC2)cc1 ZINC000189208543 426829978 /nfs/dbraw/zinc/82/99/78/426829978.db2.gz XEKIUOYGNSFSTR-UHFFFAOYSA-N 1 2 320.396 2.650 20 30 DFEDLO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295163282 426845373 /nfs/dbraw/zinc/84/53/73/426845373.db2.gz NMXWXLITMMGGKI-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295163282 426845379 /nfs/dbraw/zinc/84/53/79/426845379.db2.gz NMXWXLITMMGGKI-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(F)c3C#N)cn21 ZINC000189388659 426849597 /nfs/dbraw/zinc/84/95/97/426849597.db2.gz ZTIIECKHBFTYRB-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000189431538 426854277 /nfs/dbraw/zinc/85/42/77/426854277.db2.gz CHQPNUSSWPNNHK-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000189431538 426854286 /nfs/dbraw/zinc/85/42/86/426854286.db2.gz CHQPNUSSWPNNHK-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO CCCN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1=O ZINC000189432899 426855612 /nfs/dbraw/zinc/85/56/12/426855612.db2.gz CNOLZIJCGOWZOK-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO CCCN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1=O ZINC000189432899 426855617 /nfs/dbraw/zinc/85/56/17/426855617.db2.gz CNOLZIJCGOWZOK-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO CCc1nnc(NCc2ccc(N(C)C)[nH+]c2)c(C#N)c1CC ZINC000268128283 426922658 /nfs/dbraw/zinc/92/26/58/426922658.db2.gz DQQLSAOMYDTKTH-UHFFFAOYSA-N 1 2 310.405 2.546 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000246951342 426882032 /nfs/dbraw/zinc/88/20/32/426882032.db2.gz ASUTUYGXLSSULF-OCCSQVGLSA-N 1 2 303.431 2.713 20 30 DFEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000246951342 426882040 /nfs/dbraw/zinc/88/20/40/426882040.db2.gz ASUTUYGXLSSULF-OCCSQVGLSA-N 1 2 303.431 2.713 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCC)cc1OC ZINC000180766275 426888078 /nfs/dbraw/zinc/88/80/78/426888078.db2.gz MJYSZDVEXUYZCP-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)cc1OC ZINC000180766275 426888082 /nfs/dbraw/zinc/88/80/82/426888082.db2.gz MJYSZDVEXUYZCP-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000246992843 426888521 /nfs/dbraw/zinc/88/85/21/426888521.db2.gz WLODDXDIFWHOFV-HZPDHXFCSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246992843 426888529 /nfs/dbraw/zinc/88/85/29/426888529.db2.gz WLODDXDIFWHOFV-HZPDHXFCSA-N 1 2 318.442 2.990 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000247050664 426898496 /nfs/dbraw/zinc/89/84/96/426898496.db2.gz TXYMWGUTAPHPTF-HUUCEWRRSA-N 1 2 322.474 2.982 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000247050664 426898501 /nfs/dbraw/zinc/89/85/01/426898501.db2.gz TXYMWGUTAPHPTF-HUUCEWRRSA-N 1 2 322.474 2.982 20 30 DFEDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268257685 426966089 /nfs/dbraw/zinc/96/60/89/426966089.db2.gz LNXBHFGDEXWTMU-MLGOLLRUSA-N 1 2 311.345 2.750 20 30 DFEDLO Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1C#N ZINC000291732433 426968439 /nfs/dbraw/zinc/96/84/39/426968439.db2.gz XXTMJVJJMQTVQL-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO C=CCCN(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000276022827 426968549 /nfs/dbraw/zinc/96/85/49/426968549.db2.gz CLXDGEVWYLHHPN-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)CCC2 ZINC000328675572 426988178 /nfs/dbraw/zinc/98/81/78/426988178.db2.gz QXAIFTXKPCJQLV-BLLLJJGKSA-N 1 2 304.394 2.782 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cn3c(n1)CCCC3)CCC2 ZINC000328717864 426990424 /nfs/dbraw/zinc/99/04/24/426990424.db2.gz PNDOQQYFOUKJTB-CYBMUJFWSA-N 1 2 313.405 2.607 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247359849 426930761 /nfs/dbraw/zinc/93/07/61/426930761.db2.gz HFSZFGHKDCAXAG-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247359849 426930766 /nfs/dbraw/zinc/93/07/66/426930766.db2.gz HFSZFGHKDCAXAG-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO [O-]C(=[NH+]c1scnc1C1CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329203849 427063077 /nfs/dbraw/zinc/06/30/77/427063077.db2.gz CVZRMVLFANSASU-LBPRGKRZSA-N 1 2 317.418 2.927 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000328764099 426997120 /nfs/dbraw/zinc/99/71/20/426997120.db2.gz GAORDTKOSUVHKP-OCCSQVGLSA-N 1 2 314.389 2.794 20 30 DFEDLO C=CCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000276182874 427001070 /nfs/dbraw/zinc/00/10/70/427001070.db2.gz VTVYCXKLUGCHLS-UHFFFAOYSA-N 1 2 302.353 2.729 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC3CCCCC3)[C@H]2C1 ZINC000328822697 427002423 /nfs/dbraw/zinc/00/24/23/427002423.db2.gz IEDNCTVMADVQTL-PMPSAXMXSA-N 1 2 310.438 2.544 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC3CCCCC3)[C@H]2C1 ZINC000328822697 427002434 /nfs/dbraw/zinc/00/24/34/427002434.db2.gz IEDNCTVMADVQTL-PMPSAXMXSA-N 1 2 310.438 2.544 20 30 DFEDLO O=C(C[N@@H+]1CCOCC12CCCC2)Nc1ccc2c(c1)OCO2 ZINC000328917429 427011387 /nfs/dbraw/zinc/01/13/87/427011387.db2.gz KRMPBLNJUJXSJH-UHFFFAOYSA-N 1 2 318.373 2.648 20 30 DFEDLO O=C(C[N@H+]1CCOCC12CCCC2)Nc1ccc2c(c1)OCO2 ZINC000328917429 427011395 /nfs/dbraw/zinc/01/13/95/427011395.db2.gz KRMPBLNJUJXSJH-UHFFFAOYSA-N 1 2 318.373 2.648 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000328913801 427013072 /nfs/dbraw/zinc/01/30/72/427013072.db2.gz IMFPAJLLWMSHJP-NSHDSACASA-N 1 2 317.418 2.789 20 30 DFEDLO CN1CCOC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000328968493 427019849 /nfs/dbraw/zinc/01/98/49/427019849.db2.gz UDBBWFVVDUUYHK-HNNXBMFYSA-N 1 2 314.389 2.749 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000248636613 427024125 /nfs/dbraw/zinc/02/41/25/427024125.db2.gz UXDVMLBWDWSLHB-HUUCEWRRSA-N 1 2 317.433 2.525 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cn2ccccc12 ZINC000268473001 427028839 /nfs/dbraw/zinc/02/88/39/427028839.db2.gz IRYFPWUNHDQNKF-FQEVSTJZSA-N 1 2 317.392 2.903 20 30 DFEDLO N#Cc1c(C[N@H+]2CCc3ccccc3[C@@H]2CO)cn2ccccc12 ZINC000268473001 427028846 /nfs/dbraw/zinc/02/88/46/427028846.db2.gz IRYFPWUNHDQNKF-FQEVSTJZSA-N 1 2 317.392 2.903 20 30 DFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329031997 427030537 /nfs/dbraw/zinc/03/05/37/427030537.db2.gz LOBXOSGJXCNWGH-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)C2)n1 ZINC000329031997 427030544 /nfs/dbraw/zinc/03/05/44/427030544.db2.gz LOBXOSGJXCNWGH-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@H](C)C2)C1 ZINC000329110078 427045680 /nfs/dbraw/zinc/04/56/80/427045680.db2.gz QEYKEOHYOKWJAH-RBSFLKMASA-N 1 2 320.437 2.564 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)c2snc(C)c2C#N)c1C ZINC000283759843 427072424 /nfs/dbraw/zinc/07/24/24/427072424.db2.gz MQZQDCZPNDPFAS-UHFFFAOYSA-N 1 2 302.403 2.980 20 30 DFEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)CC)[nH+]c1 ZINC000190365060 427085851 /nfs/dbraw/zinc/08/58/51/427085851.db2.gz AXDNUEISJQTFED-GOSISDBHSA-N 1 2 320.396 2.737 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC(=O)N1 ZINC000329339752 427095911 /nfs/dbraw/zinc/09/59/11/427095911.db2.gz NVUNUGZRCNTDDB-TZMCWYRMSA-N 1 2 316.405 2.893 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)CC(=O)N1 ZINC000329349169 427096345 /nfs/dbraw/zinc/09/63/45/427096345.db2.gz SNQBEPRAPMRXNJ-NEPJUHHUSA-N 1 2 300.362 2.588 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000296181545 427104663 /nfs/dbraw/zinc/10/46/63/427104663.db2.gz CFOXXSKTTCFUDR-UHFFFAOYSA-N 1 2 314.393 2.653 20 30 DFEDLO NC(=O)C1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329454401 427118502 /nfs/dbraw/zinc/11/85/02/427118502.db2.gz POQPZROXPDNOSV-PIMMBPRGSA-N 1 2 323.437 2.680 20 30 DFEDLO NC(=O)C1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329454401 427118506 /nfs/dbraw/zinc/11/85/06/427118506.db2.gz POQPZROXPDNOSV-PIMMBPRGSA-N 1 2 323.437 2.680 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329477719 427122268 /nfs/dbraw/zinc/12/22/68/427122268.db2.gz UOWTUINFAQLYPJ-GFCCVEGCSA-N 1 2 318.373 2.504 20 30 DFEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCOCC2(CC2)C1 ZINC000329477719 427122275 /nfs/dbraw/zinc/12/22/75/427122275.db2.gz UOWTUINFAQLYPJ-GFCCVEGCSA-N 1 2 318.373 2.504 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000249682733 427136024 /nfs/dbraw/zinc/13/60/24/427136024.db2.gz GLDKVKNJBYWNHM-QWHCGFSZSA-N 1 2 323.387 2.966 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000249682733 427136034 /nfs/dbraw/zinc/13/60/34/427136034.db2.gz GLDKVKNJBYWNHM-QWHCGFSZSA-N 1 2 323.387 2.966 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000182744160 427139489 /nfs/dbraw/zinc/13/94/89/427139489.db2.gz ZSPLSICBKGSUGY-GFCCVEGCSA-N 1 2 313.430 2.601 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000249744938 427142505 /nfs/dbraw/zinc/14/25/05/427142505.db2.gz ZHFFCWLLUDLUQS-WMZOPIPTSA-N 1 2 315.392 2.771 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000249744938 427142510 /nfs/dbraw/zinc/14/25/10/427142510.db2.gz ZHFFCWLLUDLUQS-WMZOPIPTSA-N 1 2 315.392 2.771 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249908932 427150820 /nfs/dbraw/zinc/15/08/20/427150820.db2.gz VMWLMDPKUXSDQZ-MCIONIFRSA-N 1 2 305.397 2.873 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249908932 427150825 /nfs/dbraw/zinc/15/08/25/427150825.db2.gz VMWLMDPKUXSDQZ-MCIONIFRSA-N 1 2 305.397 2.873 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC#Cc1cccc(F)c1 ZINC000338149127 427158920 /nfs/dbraw/zinc/15/89/20/427158920.db2.gz JHGJJCDQECFGCV-UHFFFAOYSA-N 1 2 321.355 2.652 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n[nH]1 ZINC000190696095 427163632 /nfs/dbraw/zinc/16/36/32/427163632.db2.gz KERPPNQIMBBHLA-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO C[C@@H](C#N)CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000338373698 427285679 /nfs/dbraw/zinc/28/56/79/427285679.db2.gz GOSRUOGUXUJVQK-AWEZNQCLSA-N 1 2 308.385 2.696 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190996904 427228489 /nfs/dbraw/zinc/22/84/89/427228489.db2.gz WBBQCABJXUQHKP-IBGZPJMESA-N 1 2 315.461 2.975 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000269734331 427266049 /nfs/dbraw/zinc/26/60/49/427266049.db2.gz YTVHJTLLUVIMMI-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000269734331 427266055 /nfs/dbraw/zinc/26/60/55/427266055.db2.gz YTVHJTLLUVIMMI-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO Cn1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1C#N ZINC000191164669 427274146 /nfs/dbraw/zinc/27/41/46/427274146.db2.gz PBUCZZMEMCPIQM-VMPITWQZSA-N 1 2 320.440 2.728 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330637262 427278345 /nfs/dbraw/zinc/27/83/45/427278345.db2.gz FYQUIVUCTJIFRT-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330637262 427278353 /nfs/dbraw/zinc/27/83/53/427278353.db2.gz FYQUIVUCTJIFRT-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1c[nH+]cn1C ZINC000338399178 427303244 /nfs/dbraw/zinc/30/32/44/427303244.db2.gz DHRRNLBPDJMLEK-UHFFFAOYSA-N 1 2 312.760 2.617 20 30 DFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC=CCC1 ZINC000330833843 427306777 /nfs/dbraw/zinc/30/67/77/427306777.db2.gz KQSKNHNXJKMUJC-SNVBAGLBSA-N 1 2 302.300 2.558 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000277903268 427353158 /nfs/dbraw/zinc/35/31/58/427353158.db2.gz WVJNPGFYAXUDTN-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@H]1[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCOC1(C)C ZINC000331047532 427333867 /nfs/dbraw/zinc/33/38/67/427333867.db2.gz IYXOHOGSPKOOSO-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCOC1(C)C ZINC000331047532 427333872 /nfs/dbraw/zinc/33/38/72/427333872.db2.gz IYXOHOGSPKOOSO-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293350395 427294687 /nfs/dbraw/zinc/29/46/87/427294687.db2.gz ZFVYDDAEEYKJMR-DLBZAZTESA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000293350395 427294691 /nfs/dbraw/zinc/29/46/91/427294691.db2.gz ZFVYDDAEEYKJMR-DLBZAZTESA-N 1 2 316.401 2.519 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@H](C)CC ZINC000183583007 427295545 /nfs/dbraw/zinc/29/55/45/427295545.db2.gz JLUDBQCQGVFOER-WBMJQRKESA-N 1 2 304.390 2.634 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H](C)CC ZINC000183583023 427295625 /nfs/dbraw/zinc/29/56/25/427295625.db2.gz JLUDBQCQGVFOER-LRDDRELGSA-N 1 2 304.390 2.634 20 30 DFEDLO Cc1noc(C(C)(C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000331229219 427374795 /nfs/dbraw/zinc/37/47/95/427374795.db2.gz GDYRRVMGLUUOTG-UHFFFAOYSA-N 1 2 303.366 2.769 20 30 DFEDLO CCc1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000271028025 427379222 /nfs/dbraw/zinc/37/92/22/427379222.db2.gz FGACJZDEGKELME-UHFFFAOYSA-N 1 2 312.442 2.899 20 30 DFEDLO Cn1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1C#N ZINC000191601295 427384642 /nfs/dbraw/zinc/38/46/42/427384642.db2.gz QMFGXOHOPRAEPO-UHFFFAOYSA-N 1 2 303.369 2.644 20 30 DFEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)[nH+]1 ZINC000331312228 427394577 /nfs/dbraw/zinc/39/45/77/427394577.db2.gz HTOZKWSGAWGLFO-AWEZNQCLSA-N 1 2 318.421 2.734 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278120019 427411800 /nfs/dbraw/zinc/41/18/00/427411800.db2.gz QGJPMNYXGKJXIM-GDBMZVCRSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278120019 427411803 /nfs/dbraw/zinc/41/18/03/427411803.db2.gz QGJPMNYXGKJXIM-GDBMZVCRSA-N 1 2 324.384 2.843 20 30 DFEDLO CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331164229 427359302 /nfs/dbraw/zinc/35/93/02/427359302.db2.gz AOTHNBSZEDYWJI-AYDFFVQHSA-N 1 2 322.453 2.969 20 30 DFEDLO C#CC[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000270469076 427359303 /nfs/dbraw/zinc/35/93/03/427359303.db2.gz VDJNIDRSNWNKBW-KRWDZBQOSA-N 1 2 322.412 2.783 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000183967567 427366917 /nfs/dbraw/zinc/36/69/17/427366917.db2.gz KGWNCHQMUYEDMU-CQSZACIVSA-N 1 2 315.385 2.799 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000183967567 427366923 /nfs/dbraw/zinc/36/69/23/427366923.db2.gz KGWNCHQMUYEDMU-CQSZACIVSA-N 1 2 315.385 2.799 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000192076980 427478496 /nfs/dbraw/zinc/47/84/96/427478496.db2.gz ZTAVFCFLTHUWBR-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000192076980 427478500 /nfs/dbraw/zinc/47/85/00/427478500.db2.gz ZTAVFCFLTHUWBR-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000192099065 427481228 /nfs/dbraw/zinc/48/12/28/427481228.db2.gz WBBBDKSJDCVXMY-UHFFFAOYSA-N 1 2 314.335 2.887 20 30 DFEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000192099065 427481231 /nfs/dbraw/zinc/48/12/31/427481231.db2.gz WBBBDKSJDCVXMY-UHFFFAOYSA-N 1 2 314.335 2.887 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000298167920 427525368 /nfs/dbraw/zinc/52/53/68/427525368.db2.gz QDOFGZFEOBMZAD-LBPRGKRZSA-N 1 2 317.389 2.745 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000298167920 427525373 /nfs/dbraw/zinc/52/53/73/427525373.db2.gz QDOFGZFEOBMZAD-LBPRGKRZSA-N 1 2 317.389 2.745 20 30 DFEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000271452922 427545574 /nfs/dbraw/zinc/54/55/74/427545574.db2.gz VXTDQPXKAPPBDQ-UHFFFAOYSA-N 1 2 312.329 2.571 20 30 DFEDLO C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000263716582 427550116 /nfs/dbraw/zinc/55/01/16/427550116.db2.gz ALYFYCINEFNWNG-ZDUSSCGKSA-N 1 2 323.400 2.651 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000339009146 427621584 /nfs/dbraw/zinc/62/15/84/427621584.db2.gz IEQFLFMWIXVESE-MGPQQGTHSA-N 1 2 306.410 2.927 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000339009146 427621589 /nfs/dbraw/zinc/62/15/89/427621589.db2.gz IEQFLFMWIXVESE-MGPQQGTHSA-N 1 2 306.410 2.927 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)c3ccc(C#N)[nH]3)ccc2n1C1CC1 ZINC000298482765 427623085 /nfs/dbraw/zinc/62/30/85/427623085.db2.gz RVRIOXHBLVWFMT-UHFFFAOYSA-N 1 2 319.368 2.809 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298395390 427594007 /nfs/dbraw/zinc/59/40/07/427594007.db2.gz WHQADCWEHHGKJD-YCPHGPKFSA-N 1 2 320.339 2.749 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298395390 427594011 /nfs/dbraw/zinc/59/40/11/427594011.db2.gz WHQADCWEHHGKJD-YCPHGPKFSA-N 1 2 320.339 2.749 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C2CC2)O1 ZINC000279224782 427605485 /nfs/dbraw/zinc/60/54/85/427605485.db2.gz DFKFHXTYZFMTFD-WBMJQRKESA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C2CC2)O1 ZINC000279224782 427605491 /nfs/dbraw/zinc/60/54/91/427605491.db2.gz DFKFHXTYZFMTFD-WBMJQRKESA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C2CC2)O1 ZINC000279224778 427605547 /nfs/dbraw/zinc/60/55/47/427605547.db2.gz DFKFHXTYZFMTFD-LRDDRELGSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C2CC2)O1 ZINC000279224778 427605554 /nfs/dbraw/zinc/60/55/54/427605554.db2.gz DFKFHXTYZFMTFD-LRDDRELGSA-N 1 2 324.384 2.608 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccccc2)n1 ZINC000279327488 427641607 /nfs/dbraw/zinc/64/16/07/427641607.db2.gz CKRKJZAWWKTXLA-UHFFFAOYSA-N 1 2 319.412 2.929 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccccc2)n1 ZINC000279327488 427641614 /nfs/dbraw/zinc/64/16/14/427641614.db2.gz CKRKJZAWWKTXLA-UHFFFAOYSA-N 1 2 319.412 2.929 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCS[C@H](C)C1 ZINC000264083712 427651892 /nfs/dbraw/zinc/65/18/92/427651892.db2.gz FGQPUJNPSMCWDZ-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCS[C@H](C)C1 ZINC000264083712 427651899 /nfs/dbraw/zinc/65/18/99/427651899.db2.gz FGQPUJNPSMCWDZ-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO CC[C@H](CC#N)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339351028 427758111 /nfs/dbraw/zinc/75/81/11/427758111.db2.gz IWCCODQYPRIWQY-CQSZACIVSA-N 1 2 307.825 2.970 20 30 DFEDLO CC[C@H](CC#N)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339351028 427758114 /nfs/dbraw/zinc/75/81/14/427758114.db2.gz IWCCODQYPRIWQY-CQSZACIVSA-N 1 2 307.825 2.970 20 30 DFEDLO Cc1cc(NCCn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000301088289 427774047 /nfs/dbraw/zinc/77/40/47/427774047.db2.gz UPWWMZFORYTJSH-UHFFFAOYSA-N 1 2 316.368 2.976 20 30 DFEDLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000336969187 427781658 /nfs/dbraw/zinc/78/16/58/427781658.db2.gz NKUVOWOYGUAZSE-CJNGLKHVSA-N 1 2 324.384 2.701 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cccc(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000301264062 427785748 /nfs/dbraw/zinc/78/57/48/427785748.db2.gz HBKIXMAAUAFDLK-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO COc1cccc([C@H](Nc2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000301287262 427786857 /nfs/dbraw/zinc/78/68/57/427786857.db2.gz RJSJHYZNGLVRGO-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO N#Cc1nc(NCc2cn3ccccc3[nH+]2)ccc1C(F)(F)F ZINC000337018823 427788884 /nfs/dbraw/zinc/78/88/84/427788884.db2.gz OSSXBJSKSHFPKW-UHFFFAOYSA-N 1 2 317.274 3.232 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000301342842 427789656 /nfs/dbraw/zinc/78/96/56/427789656.db2.gz JGJVAEJZUICDKX-OAHLLOKOSA-N 1 2 324.428 2.856 20 30 DFEDLO COC(=O)N1CCC([C@@H](C)/[NH+]=C/c2cc(OC)ccc2O)CC1 ZINC000185916924 427728256 /nfs/dbraw/zinc/72/82/56/427728256.db2.gz MFXRBIQUNMGYOG-MBNTZHJCSA-N 1 2 320.389 2.687 20 30 DFEDLO CCCN(CC#N)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339266198 427744315 /nfs/dbraw/zinc/74/43/15/427744315.db2.gz UMNHOFIWKYBIMC-UHFFFAOYSA-N 1 2 307.825 2.924 20 30 DFEDLO CCCN(CC#N)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339266198 427744319 /nfs/dbraw/zinc/74/43/19/427744319.db2.gz UMNHOFIWKYBIMC-UHFFFAOYSA-N 1 2 307.825 2.924 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339564938 427793082 /nfs/dbraw/zinc/79/30/82/427793082.db2.gz BEDHUIZOZRDXFK-GMTAPVOTSA-N 1 2 303.431 2.776 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339564938 427793084 /nfs/dbraw/zinc/79/30/84/427793084.db2.gz BEDHUIZOZRDXFK-GMTAPVOTSA-N 1 2 303.431 2.776 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc(OC)nc1C ZINC000337125373 427802366 /nfs/dbraw/zinc/80/23/66/427802366.db2.gz DWYUVNWVADRHMF-UHFFFAOYSA-N 1 2 308.385 2.854 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(OC)nc1C ZINC000337125373 427802368 /nfs/dbraw/zinc/80/23/68/427802368.db2.gz DWYUVNWVADRHMF-UHFFFAOYSA-N 1 2 308.385 2.854 20 30 DFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(Cl)cc3C#N)CC2)S1 ZINC000301592994 427807799 /nfs/dbraw/zinc/80/77/99/427807799.db2.gz RBWPTAPKNHMEAO-LLVKDONJSA-N 1 2 320.849 2.825 20 30 DFEDLO COc1ccccc1[C@H](Nc1ccc(C#N)nc1)c1[nH+]ccn1C ZINC000301607363 427809439 /nfs/dbraw/zinc/80/94/39/427809439.db2.gz ZEFXKJYGPVMXFV-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)C1=O ZINC000337203965 427814910 /nfs/dbraw/zinc/81/49/10/427814910.db2.gz HDMMGBCCOJIRAJ-HNNXBMFYSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2Cl)C1=O ZINC000337203965 427814912 /nfs/dbraw/zinc/81/49/12/427814912.db2.gz HDMMGBCCOJIRAJ-HNNXBMFYSA-N 1 2 308.809 2.567 20 30 DFEDLO CNC(=O)c1cccc(CCNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301675989 427815292 /nfs/dbraw/zinc/81/52/92/427815292.db2.gz PVCBHWGAXFRMPI-UHFFFAOYSA-N 1 2 308.385 2.584 20 30 DFEDLO Cc1cc(NCc2cn(-c3ccccc3)nn2)c(C#N)c(C)[nH+]1 ZINC000301753438 427822073 /nfs/dbraw/zinc/82/20/73/427822073.db2.gz BWURRGCMLKYCBE-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO C=CC[N@H+](CCSC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000337324253 427844797 /nfs/dbraw/zinc/84/47/97/427844797.db2.gz UFFMVQWQLJZYNB-AWEZNQCLSA-N 1 2 317.520 2.727 20 30 DFEDLO C=CC[N@@H+](CCSC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000337324253 427844803 /nfs/dbraw/zinc/84/48/03/427844803.db2.gz UFFMVQWQLJZYNB-AWEZNQCLSA-N 1 2 317.520 2.727 20 30 DFEDLO Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1C#N ZINC000302727350 427858772 /nfs/dbraw/zinc/85/87/72/427858772.db2.gz SQFFCQPCBOCYGQ-QGZVFWFLSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1C#N ZINC000302727350 427858777 /nfs/dbraw/zinc/85/87/77/427858777.db2.gz SQFFCQPCBOCYGQ-QGZVFWFLSA-N 1 2 322.412 2.575 20 30 DFEDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)c[nH+]1 ZINC000302710375 427855973 /nfs/dbraw/zinc/85/59/73/427855973.db2.gz HVRFINLHLZGRSS-UHFFFAOYSA-N 1 2 312.333 2.846 20 30 DFEDLO C=CCOc1ccc(CNc2ccc(CO)c[nH+]2)cc1Cl ZINC000340571084 427881426 /nfs/dbraw/zinc/88/14/26/427881426.db2.gz BHCVQJKHIDUJCS-UHFFFAOYSA-N 1 2 304.777 3.404 20 30 DFEDLO N#Cc1cc(F)ccc1NCc1ccc(C[NH+]2CCOCC2)o1 ZINC000302871281 427883736 /nfs/dbraw/zinc/88/37/36/427883736.db2.gz ZBQUIQJHLYYMGH-UHFFFAOYSA-N 1 2 315.348 2.735 20 30 DFEDLO C=C(C)[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000355779558 427888917 /nfs/dbraw/zinc/88/89/17/427888917.db2.gz ZXOZZOUTOZPHFQ-MRXNPFEDSA-N 1 2 305.328 2.985 20 30 DFEDLO CCCN1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1=O ZINC000349933739 427901708 /nfs/dbraw/zinc/90/17/08/427901708.db2.gz JBFYIGKFOLBMFF-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO CCCN1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1=O ZINC000349933739 427901717 /nfs/dbraw/zinc/90/17/17/427901717.db2.gz JBFYIGKFOLBMFF-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO Cc1cccc2[nH+]c(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cn21 ZINC000340014404 427903278 /nfs/dbraw/zinc/90/32/78/427903278.db2.gz KXAGQALZNOLUGM-UHFFFAOYSA-N 1 2 322.328 2.617 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340211158 427956172 /nfs/dbraw/zinc/95/61/72/427956172.db2.gz QWBQGORGDOFLPV-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340211158 427956176 /nfs/dbraw/zinc/95/61/76/427956176.db2.gz QWBQGORGDOFLPV-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413188725 427986507 /nfs/dbraw/zinc/98/65/07/427986507.db2.gz HYTMALWHBHBKJT-OAHLLOKOSA-N 1 2 324.340 2.828 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413220770 427993171 /nfs/dbraw/zinc/99/31/71/427993171.db2.gz HLVGIZGUBGBGKZ-RRFJBIMHSA-N 1 2 304.438 2.840 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413220770 427993178 /nfs/dbraw/zinc/99/31/78/427993178.db2.gz HLVGIZGUBGBGKZ-RRFJBIMHSA-N 1 2 304.438 2.840 20 30 DFEDLO CC[N@H+](CC(=O)N(C)C[C@@H](C)C#N)Cc1ccccc1Cl ZINC000350953275 427994960 /nfs/dbraw/zinc/99/49/60/427994960.db2.gz WCIWGKKEEVKIKJ-ZDUSSCGKSA-N 1 2 307.825 2.780 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)C[C@@H](C)C#N)Cc1ccccc1Cl ZINC000350953275 427994964 /nfs/dbraw/zinc/99/49/64/427994964.db2.gz WCIWGKKEEVKIKJ-ZDUSSCGKSA-N 1 2 307.825 2.780 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340917026 427950728 /nfs/dbraw/zinc/95/07/28/427950728.db2.gz KVSHOKUMUGOGLD-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340917026 427950734 /nfs/dbraw/zinc/95/07/34/427950734.db2.gz KVSHOKUMUGOGLD-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO C=CCCC1(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000356103029 428024439 /nfs/dbraw/zinc/02/44/39/428024439.db2.gz TXGOCNIKOGPSDD-ZFWWWQNUSA-N 1 2 303.406 2.503 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369656001 428029290 /nfs/dbraw/zinc/02/92/90/428029290.db2.gz PXKGEJPPIUZNAU-CQSZACIVSA-N 1 2 323.400 2.790 20 30 DFEDLO COC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000359843462 428040749 /nfs/dbraw/zinc/04/07/49/428040749.db2.gz MGXVGHSAEHYCHA-UHFFFAOYSA-N 1 2 306.793 2.987 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000341370047 428048712 /nfs/dbraw/zinc/04/87/12/428048712.db2.gz JGSQZAMRPUTQQB-OAHLLOKOSA-N 1 2 302.422 2.576 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413293900 428012738 /nfs/dbraw/zinc/01/27/38/428012738.db2.gz HSVXCEJKNLLJQC-ZIAGYGMSSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413293900 428012742 /nfs/dbraw/zinc/01/27/42/428012742.db2.gz HSVXCEJKNLLJQC-ZIAGYGMSSA-N 1 2 304.438 2.698 20 30 DFEDLO COCC[N@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356090640 428016506 /nfs/dbraw/zinc/01/65/06/428016506.db2.gz RZEULOGORYLKTH-UHFFFAOYSA-N 1 2 301.415 2.706 20 30 DFEDLO COCC[N@@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356090640 428016512 /nfs/dbraw/zinc/01/65/12/428016512.db2.gz RZEULOGORYLKTH-UHFFFAOYSA-N 1 2 301.415 2.706 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000351494165 428093551 /nfs/dbraw/zinc/09/35/51/428093551.db2.gz NQBLVYYDFNICPK-AWEZNQCLSA-N 1 2 314.433 2.745 20 30 DFEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000356267618 428096664 /nfs/dbraw/zinc/09/66/64/428096664.db2.gz HAOVCKRTJLGHSV-UHFFFAOYSA-N 1 2 314.429 2.783 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C2 ZINC000356272609 428098529 /nfs/dbraw/zinc/09/85/29/428098529.db2.gz WEMPSTUFIUCCAY-FZMZJTMJSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)CC2 ZINC000356272609 428098534 /nfs/dbraw/zinc/09/85/34/428098534.db2.gz WEMPSTUFIUCCAY-FZMZJTMJSA-N 1 2 302.422 2.692 20 30 DFEDLO C=CCCC1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000356202025 428066636 /nfs/dbraw/zinc/06/66/36/428066636.db2.gz JNPJIXNEXSNLIT-UHFFFAOYSA-N 1 2 309.413 3.509 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(F)cc3C#N)cn21 ZINC000346347212 428136209 /nfs/dbraw/zinc/13/62/09/428136209.db2.gz YURSFKKXICTETP-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCSc3ccccc32)C(N)=O)cc1 ZINC000360069285 428142512 /nfs/dbraw/zinc/14/25/12/428142512.db2.gz NXTCJEJCRWHEQC-NVXWUHKLSA-N 1 2 323.421 2.911 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000341690628 428158983 /nfs/dbraw/zinc/15/89/83/428158983.db2.gz NXOGAPKQLXEXQN-CQSZACIVSA-N 1 2 314.776 2.826 20 30 DFEDLO N#Cc1c(NCc2[nH+]ccn2CC(F)(F)F)nc2ccccn12 ZINC000360110784 428166080 /nfs/dbraw/zinc/16/60/80/428166080.db2.gz GCCLVXOOYHJCMO-UHFFFAOYSA-N 1 2 320.278 2.577 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414106866 428208857 /nfs/dbraw/zinc/20/88/57/428208857.db2.gz JDYZRLONWGZDEH-LBPRGKRZSA-N 1 2 301.415 2.763 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377726678 428212766 /nfs/dbraw/zinc/21/27/66/428212766.db2.gz SIFRLTCUALZDOR-NSHDSACASA-N 1 2 315.764 2.614 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377726678 428212771 /nfs/dbraw/zinc/21/27/71/428212771.db2.gz SIFRLTCUALZDOR-NSHDSACASA-N 1 2 315.764 2.614 20 30 DFEDLO C[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000360165326 428187082 /nfs/dbraw/zinc/18/70/82/428187082.db2.gz XTKBMTWACACQAA-CYBMUJFWSA-N 1 2 308.385 2.791 20 30 DFEDLO C=CCCC1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000356462284 428189184 /nfs/dbraw/zinc/18/91/84/428189184.db2.gz UHGMGSYSGYIPJU-OAHLLOKOSA-N 1 2 301.434 2.948 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468793 428192124 /nfs/dbraw/zinc/19/21/24/428192124.db2.gz COUDQUWYRWQLHK-OLZOCXBDSA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468793 428192131 /nfs/dbraw/zinc/19/21/31/428192131.db2.gz COUDQUWYRWQLHK-OLZOCXBDSA-N 1 2 307.825 2.826 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000352823189 428264781 /nfs/dbraw/zinc/26/47/81/428264781.db2.gz MRNDPHORSJGHNH-UHFFFAOYSA-N 1 2 321.789 2.729 20 30 DFEDLO N#Cc1csc(CNC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000352822034 428265598 /nfs/dbraw/zinc/26/55/98/428265598.db2.gz IVGRSPQOFKAXON-AWEZNQCLSA-N 1 2 316.430 2.925 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)n1 ZINC000352839509 428274926 /nfs/dbraw/zinc/27/49/26/428274926.db2.gz KPPVTQHWPYXXCX-UHFFFAOYSA-N 1 2 313.361 2.629 20 30 DFEDLO N#Cc1cc(NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000378026677 428289671 /nfs/dbraw/zinc/28/96/71/428289671.db2.gz RWGPUFQQFYGUHK-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO N#Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cn1 ZINC000356607867 428252605 /nfs/dbraw/zinc/25/26/05/428252605.db2.gz YTSPIUBLMLPTTA-UHFFFAOYSA-N 1 2 314.308 2.856 20 30 DFEDLO N#CCCCOc1ccc[nH+]c1NCc1ccn(C(F)F)n1 ZINC000341958243 428259797 /nfs/dbraw/zinc/25/97/97/428259797.db2.gz MHKHDXLDOUVYBZ-UHFFFAOYSA-N 1 2 307.304 2.968 20 30 DFEDLO COCc1cnc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000341954821 428260162 /nfs/dbraw/zinc/26/01/62/428260162.db2.gz USEBJYSPJKCETE-UHFFFAOYSA-N 1 2 318.402 2.979 20 30 DFEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346830168 428336866 /nfs/dbraw/zinc/33/68/66/428336866.db2.gz PPRWDVHTLYPEEW-KRWDZBQOSA-N 1 2 318.380 2.723 20 30 DFEDLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(C#N)cc1 ZINC000357107992 428391924 /nfs/dbraw/zinc/39/19/24/428391924.db2.gz HGWQLUOXXPGQSH-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371681381 428401366 /nfs/dbraw/zinc/40/13/66/428401366.db2.gz QIHVQHQLCXLSPO-KBXCAEBGSA-N 1 2 301.409 2.819 20 30 DFEDLO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371681381 428401369 /nfs/dbraw/zinc/40/13/69/428401369.db2.gz QIHVQHQLCXLSPO-KBXCAEBGSA-N 1 2 301.409 2.819 20 30 DFEDLO N#Cc1cc2c(nc1N[C@@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000378333814 428364527 /nfs/dbraw/zinc/36/45/27/428364527.db2.gz OOASWGZTNHROHD-MRXNPFEDSA-N 1 2 319.412 2.918 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360615117 428369174 /nfs/dbraw/zinc/36/91/74/428369174.db2.gz ASKIZLAXAUPZFD-OAHLLOKOSA-N 1 2 305.381 2.968 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360615117 428369179 /nfs/dbraw/zinc/36/91/79/428369179.db2.gz ASKIZLAXAUPZFD-OAHLLOKOSA-N 1 2 305.381 2.968 20 30 DFEDLO CN(CCC#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000371370316 428387033 /nfs/dbraw/zinc/38/70/33/428387033.db2.gz NGORIKWSAAPLLP-UHFFFAOYSA-N 1 2 321.384 2.979 20 30 DFEDLO C[C@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342574116 428433554 /nfs/dbraw/zinc/43/35/54/428433554.db2.gz HZQXBOBJSZHSIR-LPHOPBHVSA-N 1 2 323.440 2.805 20 30 DFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000357214299 428436723 /nfs/dbraw/zinc/43/67/23/428436723.db2.gz NUQULRCIIJFUAE-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342765867 428448434 /nfs/dbraw/zinc/44/84/34/428448434.db2.gz RAQVNMVLWLMHLI-LJQANCHMSA-N 1 2 320.392 2.853 20 30 DFEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342765867 428448439 /nfs/dbraw/zinc/44/84/39/428448439.db2.gz RAQVNMVLWLMHLI-LJQANCHMSA-N 1 2 320.392 2.853 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)OCC ZINC000372452083 428448908 /nfs/dbraw/zinc/44/89/08/428448908.db2.gz VHOFRLIZYZNTKU-JKSUJKDBSA-N 1 2 317.433 2.538 20 30 DFEDLO COc1ccc2c(c1)N(Cc1c[nH+]c3ccc(C#N)cn13)CCO2 ZINC000342768981 428448979 /nfs/dbraw/zinc/44/89/79/428448979.db2.gz PBLBDHYRXMNOQL-UHFFFAOYSA-N 1 2 320.352 2.614 20 30 DFEDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000372124018 428417352 /nfs/dbraw/zinc/41/73/52/428417352.db2.gz HQMAZGNJXKGFKD-QAPCUYQASA-N 1 2 318.417 2.603 20 30 DFEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000372124018 428417360 /nfs/dbraw/zinc/41/73/60/428417360.db2.gz HQMAZGNJXKGFKD-QAPCUYQASA-N 1 2 318.417 2.603 20 30 DFEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000357316161 428480487 /nfs/dbraw/zinc/48/04/87/428480487.db2.gz OEARYJMIFFLSAM-UHFFFAOYSA-N 1 2 307.313 2.997 20 30 DFEDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C#N)c1 ZINC000393328540 428483736 /nfs/dbraw/zinc/48/37/36/428483736.db2.gz XCHWCTFQVPWUQK-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342981517 428499660 /nfs/dbraw/zinc/49/96/60/428499660.db2.gz SJTLBLZYULHROL-GDBMZVCRSA-N 1 2 303.406 2.989 20 30 DFEDLO COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2(C#N)CC2)c1 ZINC000343140207 428523244 /nfs/dbraw/zinc/52/32/44/428523244.db2.gz NFMKARQPLAAPCG-QGZVFWFLSA-N 1 2 300.402 2.980 20 30 DFEDLO COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2(C#N)CC2)c1 ZINC000343140207 428523250 /nfs/dbraw/zinc/52/32/50/428523250.db2.gz NFMKARQPLAAPCG-QGZVFWFLSA-N 1 2 300.402 2.980 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H](C)Cn1cc[nH+]c1 ZINC000357297329 428471675 /nfs/dbraw/zinc/47/16/75/428471675.db2.gz GIJGPGCFLASASV-LBPRGKRZSA-N 1 2 309.348 2.673 20 30 DFEDLO CCN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000372618292 428477306 /nfs/dbraw/zinc/47/73/06/428477306.db2.gz VKQAYLUQORZINR-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO CCN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000372618292 428477310 /nfs/dbraw/zinc/47/73/10/428477310.db2.gz VKQAYLUQORZINR-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000361626247 428583311 /nfs/dbraw/zinc/58/33/11/428583311.db2.gz XFJNGUBSRSRENH-YJBOKZPZSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000361626247 428583314 /nfs/dbraw/zinc/58/33/14/428583314.db2.gz XFJNGUBSRSRENH-YJBOKZPZSA-N 1 2 319.832 2.961 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC000361110842 428537831 /nfs/dbraw/zinc/53/78/31/428537831.db2.gz IBGUXMJNTXISOV-DOMZBBRYSA-N 1 2 311.809 2.605 20 30 DFEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC1(C#N)CC1 ZINC000343258638 428540951 /nfs/dbraw/zinc/54/09/51/428540951.db2.gz JFRMOSZNSUVCRY-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC1(C#N)CC1 ZINC000343258638 428540955 /nfs/dbraw/zinc/54/09/55/428540955.db2.gz JFRMOSZNSUVCRY-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCn2c[nH+]cc2C1 ZINC000357548505 428546650 /nfs/dbraw/zinc/54/66/50/428546650.db2.gz NWMMYRDHAUMZMQ-UHFFFAOYSA-N 1 2 307.332 2.771 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357572281 428549222 /nfs/dbraw/zinc/54/92/22/428549222.db2.gz RBVAVRLRWGYRMW-UKRRQHHQSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357572281 428549229 /nfs/dbraw/zinc/54/92/29/428549229.db2.gz RBVAVRLRWGYRMW-UKRRQHHQSA-N 1 2 320.458 2.606 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)C1CC1 ZINC000357833571 428566790 /nfs/dbraw/zinc/56/67/90/428566790.db2.gz PQSXLTOQZWZGLM-CYBMUJFWSA-N 1 2 303.410 2.500 20 30 DFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347411845 428568405 /nfs/dbraw/zinc/56/84/05/428568405.db2.gz BOWUXJYUWNIZDT-UHFFFAOYSA-N 1 2 317.396 2.532 20 30 DFEDLO CC#CCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000361487947 428571728 /nfs/dbraw/zinc/57/17/28/428571728.db2.gz XBIAIRYHGHVBGM-UHFFFAOYSA-N 1 2 324.428 2.729 20 30 DFEDLO N#CC1(CN2CC[NH+](Cc3nc4ccccc4s3)CC2)CC1 ZINC000347428518 428572881 /nfs/dbraw/zinc/57/28/81/428572881.db2.gz NHZQSNZDPWTHJB-UHFFFAOYSA-N 1 2 312.442 2.718 20 30 DFEDLO CC#CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000361526028 428573315 /nfs/dbraw/zinc/57/33/15/428573315.db2.gz OWHBSKWJLIEYCD-SFHVURJKSA-N 1 2 324.428 2.954 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000373557439 428604595 /nfs/dbraw/zinc/60/45/95/428604595.db2.gz XTEQVRTWIDZDOG-LSDHHAIUSA-N 1 2 317.433 2.730 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373567562 428608883 /nfs/dbraw/zinc/60/88/83/428608883.db2.gz MVMYYPBCPPWDTC-CYBMUJFWSA-N 1 2 308.385 2.885 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000361996929 428610860 /nfs/dbraw/zinc/61/08/60/428610860.db2.gz QTEMAWYVDJQBFG-UHFFFAOYSA-N 1 2 311.447 2.503 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000361996929 428610866 /nfs/dbraw/zinc/61/08/66/428610866.db2.gz QTEMAWYVDJQBFG-UHFFFAOYSA-N 1 2 311.447 2.503 20 30 DFEDLO CCOCc1nc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)no1 ZINC000353612613 428619599 /nfs/dbraw/zinc/61/95/99/428619599.db2.gz SPCZWZGBFWYJQS-IAQYHMDHSA-N 1 2 312.373 2.816 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000347696367 428623111 /nfs/dbraw/zinc/62/31/11/428623111.db2.gz WFCXSLRQVXMZRJ-MJVIPROJSA-N 1 2 323.343 2.897 20 30 DFEDLO CCc1noc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344129791 428623501 /nfs/dbraw/zinc/62/35/01/428623501.db2.gz UXJMJHQCHDIJAP-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO CCc1noc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344129791 428623506 /nfs/dbraw/zinc/62/35/06/428623506.db2.gz UXJMJHQCHDIJAP-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000358694146 428630787 /nfs/dbraw/zinc/63/07/87/428630787.db2.gz PILARYDAXRRAJW-OAHLLOKOSA-N 1 2 316.405 2.574 20 30 DFEDLO C[C@H]1CCOCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000373811442 428650381 /nfs/dbraw/zinc/65/03/81/428650381.db2.gz FCKVWUXVUBJSLR-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@H]1CCOCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000373811442 428650390 /nfs/dbraw/zinc/65/03/90/428650390.db2.gz FCKVWUXVUBJSLR-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358745775 428654242 /nfs/dbraw/zinc/65/42/42/428654242.db2.gz XDTAGKPRHQPIBC-UHFFFAOYSA-N 1 2 303.410 2.629 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374362647 428676516 /nfs/dbraw/zinc/67/65/16/428676516.db2.gz RTHVCOBMAUDNMX-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374362647 428676520 /nfs/dbraw/zinc/67/65/20/428676520.db2.gz RTHVCOBMAUDNMX-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCC1(CC#N)CC1 ZINC000362358256 428716682 /nfs/dbraw/zinc/71/66/82/428716682.db2.gz JDGWPWZBNLEUGW-UHFFFAOYSA-N 1 2 309.369 2.939 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000416340566 428721709 /nfs/dbraw/zinc/72/17/09/428721709.db2.gz KNAXOXLBEYPDNV-QAPCUYQASA-N 1 2 320.396 2.511 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000348382821 428725681 /nfs/dbraw/zinc/72/56/81/428725681.db2.gz LPKXCXAZRVHYJA-GHMZBOCLSA-N 1 2 316.361 2.742 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(Cl)c(C#N)n1)CCC2 ZINC000374435467 428679034 /nfs/dbraw/zinc/67/90/34/428679034.db2.gz FWPVRBRZLFWAPL-NSHDSACASA-N 1 2 301.781 3.101 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000362579106 428791764 /nfs/dbraw/zinc/79/17/64/428791764.db2.gz HECJGBGKSPRIDL-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000362579106 428791769 /nfs/dbraw/zinc/79/17/69/428791769.db2.gz HECJGBGKSPRIDL-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@H](NC(=O)NCC(C)(C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000353827262 428736967 /nfs/dbraw/zinc/73/69/67/428736967.db2.gz NTWMTPFDKUOGLU-ZDUSSCGKSA-N 1 2 311.389 2.782 20 30 DFEDLO Cc1noc(C2(C)CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000374720290 428738605 /nfs/dbraw/zinc/73/86/05/428738605.db2.gz SFNWXFKRQGGKLY-UHFFFAOYSA-N 1 2 314.364 2.943 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362436894 428741865 /nfs/dbraw/zinc/74/18/65/428741865.db2.gz HZVCAPVDKDALFL-QZTJIDSGSA-N 1 2 311.429 2.627 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362436894 428741869 /nfs/dbraw/zinc/74/18/69/428741869.db2.gz HZVCAPVDKDALFL-QZTJIDSGSA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000411119468 428743411 /nfs/dbraw/zinc/74/34/11/428743411.db2.gz KCKGKJJPOIUSTR-CYBMUJFWSA-N 1 2 305.809 2.790 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411128484 428745928 /nfs/dbraw/zinc/74/59/28/428745928.db2.gz AGCTZRAYNZKZSE-CQSZACIVSA-N 1 2 309.431 2.847 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411128484 428745933 /nfs/dbraw/zinc/74/59/33/428745933.db2.gz AGCTZRAYNZKZSE-CQSZACIVSA-N 1 2 309.431 2.847 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358967099 428751402 /nfs/dbraw/zinc/75/14/02/428751402.db2.gz OYPLHXFSEPEZFG-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358967099 428751408 /nfs/dbraw/zinc/75/14/08/428751408.db2.gz OYPLHXFSEPEZFG-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000411500831 428808575 /nfs/dbraw/zinc/80/85/75/428808575.db2.gz GBHFWGGRSRPKFH-CVEARBPZSA-N 1 2 322.449 2.798 20 30 DFEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CCC1 ZINC000418142668 428888948 /nfs/dbraw/zinc/88/89/48/428888948.db2.gz NJTROEHHKJGARJ-UHFFFAOYSA-N 1 2 319.771 2.843 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000375501540 428898949 /nfs/dbraw/zinc/89/89/49/428898949.db2.gz NEZYMCNULAFSSA-ZDUSSCGKSA-N 1 2 324.384 2.743 20 30 DFEDLO C=CCc1cc(C[NH2+][C@@H](C(=O)OC)[C@H](C)CC)cc(OC)c1O ZINC000355075492 429027077 /nfs/dbraw/zinc/02/70/77/429027077.db2.gz KDZTUKNBMGYXTB-MLGOLLRUSA-N 1 2 321.417 2.807 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420959221 428976095 /nfs/dbraw/zinc/97/60/95/428976095.db2.gz PYDCBHDRLKSFJB-IYBDPMFKSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420959221 428976103 /nfs/dbraw/zinc/97/61/03/428976103.db2.gz PYDCBHDRLKSFJB-IYBDPMFKSA-N 1 2 321.465 2.561 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)s1 ZINC000421199388 428986060 /nfs/dbraw/zinc/98/60/60/428986060.db2.gz KORMESGSVJFLMH-INIZCTEOSA-N 1 2 311.410 2.729 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834704 428991805 /nfs/dbraw/zinc/99/18/05/428991805.db2.gz JDRPFQFJYNEZEU-ZFWWWQNUSA-N 1 2 301.390 2.567 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834704 428991809 /nfs/dbraw/zinc/99/18/09/428991809.db2.gz JDRPFQFJYNEZEU-ZFWWWQNUSA-N 1 2 301.390 2.567 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843698 428994762 /nfs/dbraw/zinc/99/47/62/428994762.db2.gz GQPRTHAOPWKIEI-ZFWWWQNUSA-N 1 2 313.401 2.758 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843698 428994767 /nfs/dbraw/zinc/99/47/67/428994767.db2.gz GQPRTHAOPWKIEI-ZFWWWQNUSA-N 1 2 313.401 2.758 20 30 DFEDLO Cc1cc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc(C)[nH+]1 ZINC000421575694 429001700 /nfs/dbraw/zinc/00/17/00/429001700.db2.gz KROLJJITLFDGBW-UHFFFAOYSA-N 1 2 305.381 2.918 20 30 DFEDLO O[C@@H]([C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887840 429006797 /nfs/dbraw/zinc/00/67/97/429006797.db2.gz KKVGJNYZNAZXRH-OCCSQVGLSA-N 1 2 317.738 2.937 20 30 DFEDLO O[C@@H]([C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887840 429006803 /nfs/dbraw/zinc/00/68/03/429006803.db2.gz KKVGJNYZNAZXRH-OCCSQVGLSA-N 1 2 317.738 2.937 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000349614741 429012455 /nfs/dbraw/zinc/01/24/55/429012455.db2.gz SMUAJRNKXUQCIP-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1ncsc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349614741 429012461 /nfs/dbraw/zinc/01/24/61/429012461.db2.gz SMUAJRNKXUQCIP-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO COC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108978 429058455 /nfs/dbraw/zinc/05/84/55/429058455.db2.gz VTAFKBOXBFZOAO-RHSMWYFYSA-N 1 2 316.401 2.521 20 30 DFEDLO COC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108978 429058459 /nfs/dbraw/zinc/05/84/59/429058459.db2.gz VTAFKBOXBFZOAO-RHSMWYFYSA-N 1 2 316.401 2.521 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(F)cc(Cl)cc1Cl ZINC000424145748 429098574 /nfs/dbraw/zinc/09/85/74/429098574.db2.gz ZGWDLSSYIUZIHP-SNVBAGLBSA-N 1 2 321.179 2.718 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(F)cc(Cl)cc1Cl ZINC000424145748 429098577 /nfs/dbraw/zinc/09/85/77/429098577.db2.gz ZGWDLSSYIUZIHP-SNVBAGLBSA-N 1 2 321.179 2.718 20 30 DFEDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(C#N)cc1Cl ZINC000434691894 429106151 /nfs/dbraw/zinc/10/61/51/429106151.db2.gz CJFOVXPJVUVVDB-UHFFFAOYSA-N 1 2 321.852 2.754 20 30 DFEDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(C#N)cc1Cl ZINC000434691894 429106155 /nfs/dbraw/zinc/10/61/55/429106155.db2.gz CJFOVXPJVUVVDB-UHFFFAOYSA-N 1 2 321.852 2.754 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454734533 429171863 /nfs/dbraw/zinc/17/18/63/429171863.db2.gz AEQFNFYNHBMFPJ-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454734533 429171869 /nfs/dbraw/zinc/17/18/69/429171869.db2.gz AEQFNFYNHBMFPJ-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1C#N ZINC000487904245 429173185 /nfs/dbraw/zinc/17/31/85/429173185.db2.gz DJFNUUHFVPEAFO-QGZVFWFLSA-N 1 2 321.359 3.336 20 30 DFEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1C#N ZINC000487917773 429173924 /nfs/dbraw/zinc/17/39/24/429173924.db2.gz UEFPIRNQJCVDBI-KRWDZBQOSA-N 1 2 321.359 3.336 20 30 DFEDLO CCOCCN1CC[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1CC ZINC000487933615 429174799 /nfs/dbraw/zinc/17/47/99/429174799.db2.gz VJDWFJZVCVMXIS-IBGZPJMESA-N 1 2 315.461 2.799 20 30 DFEDLO CCOCCN1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1CC ZINC000487933615 429174803 /nfs/dbraw/zinc/17/48/03/429174803.db2.gz VJDWFJZVCVMXIS-IBGZPJMESA-N 1 2 315.461 2.799 20 30 DFEDLO Cc1ccc(-n2c[nH+]c3c2CCN(C[C@@H](C#N)CCC#N)C3)cc1 ZINC000487966323 429175598 /nfs/dbraw/zinc/17/55/98/429175598.db2.gz WIVZXFGRQNYBIN-MRXNPFEDSA-N 1 2 319.412 2.982 20 30 DFEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000455529837 429190104 /nfs/dbraw/zinc/19/01/04/429190104.db2.gz YRNWREXYGQJCAX-UHFFFAOYSA-N 1 2 305.397 2.619 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000438832782 429214399 /nfs/dbraw/zinc/21/43/99/429214399.db2.gz FYMJYRGDHNINBU-UHFFFAOYSA-N 1 2 316.364 2.982 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489230359 429223779 /nfs/dbraw/zinc/22/37/79/429223779.db2.gz ANMHAFXPSMFPOP-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489230359 429223781 /nfs/dbraw/zinc/22/37/81/429223781.db2.gz ANMHAFXPSMFPOP-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000455731962 429204926 /nfs/dbraw/zinc/20/49/26/429204926.db2.gz KTFXNXFRXABYLS-HNNXBMFYSA-N 1 2 324.428 2.776 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000489409769 429237882 /nfs/dbraw/zinc/23/78/82/429237882.db2.gz YEECHRHVFBNTKD-LBPRGKRZSA-N 1 2 308.451 2.716 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000489409769 429237885 /nfs/dbraw/zinc/23/78/85/429237885.db2.gz YEECHRHVFBNTKD-LBPRGKRZSA-N 1 2 308.451 2.716 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CN(C)C(=O)O1 ZINC000495650870 429240423 /nfs/dbraw/zinc/24/04/23/429240423.db2.gz KJIRBXOUJJTBGV-JTQLQIEISA-N 1 2 300.811 2.840 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CN(C)C(=O)O1 ZINC000495650870 429240427 /nfs/dbraw/zinc/24/04/27/429240427.db2.gz KJIRBXOUJJTBGV-JTQLQIEISA-N 1 2 300.811 2.840 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CN(C)C(=O)O1 ZINC000495650871 429240528 /nfs/dbraw/zinc/24/05/28/429240528.db2.gz KJIRBXOUJJTBGV-SNVBAGLBSA-N 1 2 300.811 2.840 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CN(C)C(=O)O1 ZINC000495650871 429240532 /nfs/dbraw/zinc/24/05/32/429240532.db2.gz KJIRBXOUJJTBGV-SNVBAGLBSA-N 1 2 300.811 2.840 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000489444328 429242930 /nfs/dbraw/zinc/24/29/30/429242930.db2.gz WYFVXGSHOFAUDG-HNNXBMFYSA-N 1 2 324.432 3.046 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000489444328 429242932 /nfs/dbraw/zinc/24/29/32/429242932.db2.gz WYFVXGSHOFAUDG-HNNXBMFYSA-N 1 2 324.432 3.046 20 30 DFEDLO Cc1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425218975 429246367 /nfs/dbraw/zinc/24/63/67/429246367.db2.gz ZVSASZXKFLTDTK-CQSZACIVSA-N 1 2 310.376 2.761 20 30 DFEDLO C=C(C)COCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425211160 429246751 /nfs/dbraw/zinc/24/67/51/429246751.db2.gz XJHZHDBDGPFSHT-MRXNPFEDSA-N 1 2 313.401 2.641 20 30 DFEDLO Cc1cc(NC[C@](C)(Cc2ccccc2)[C@H](C)O)c(C#N)c[nH+]1 ZINC000425259315 429253517 /nfs/dbraw/zinc/25/35/17/429253517.db2.gz UYZLKWJZGODUQA-KXBFYZLASA-N 1 2 309.413 2.725 20 30 DFEDLO CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365252222 429288774 /nfs/dbraw/zinc/28/87/74/429288774.db2.gz AMUSCWQBCKIOOV-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365252222 429288775 /nfs/dbraw/zinc/28/87/75/429288775.db2.gz AMUSCWQBCKIOOV-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO Cc1cc(NCCc2cccc(C(F)(F)F)n2)c(C#N)c[nH+]1 ZINC000425265655 429254555 /nfs/dbraw/zinc/25/45/55/429254555.db2.gz FFCCOOAWQBTJCX-UHFFFAOYSA-N 1 2 306.291 2.752 20 30 DFEDLO Cc1cc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425271086 429255863 /nfs/dbraw/zinc/25/58/63/429255863.db2.gz UPKPEISSMSXOPB-QGZVFWFLSA-N 1 2 301.390 2.820 20 30 DFEDLO Cc1cc(CNc2ccc(N3CCOCC3)[nH+]c2)ccc1C#N ZINC000443996911 429261281 /nfs/dbraw/zinc/26/12/81/429261281.db2.gz PMWAIUANWZMYSF-UHFFFAOYSA-N 1 2 308.385 2.710 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364987473 429271943 /nfs/dbraw/zinc/27/19/43/429271943.db2.gz VBQCBIWWADBLCS-KRWDZBQOSA-N 1 2 320.396 2.532 20 30 DFEDLO Cc1ccc(NCc2cccc(-c3[nH+]ccn3C)c2)nc1C#N ZINC000365052867 429274493 /nfs/dbraw/zinc/27/44/93/429274493.db2.gz KOPKINLGYVYFBX-UHFFFAOYSA-N 1 2 303.369 3.274 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709328 429275531 /nfs/dbraw/zinc/27/55/31/429275531.db2.gz QFIFWULZAGPBPW-CYBMUJFWSA-N 1 2 308.372 2.986 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709328 429275533 /nfs/dbraw/zinc/27/55/33/429275533.db2.gz QFIFWULZAGPBPW-CYBMUJFWSA-N 1 2 308.372 2.986 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccsc2C)n1 ZINC000491071599 429322871 /nfs/dbraw/zinc/32/28/71/429322871.db2.gz LVXROSVZIZMUGW-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccsc2C)n1 ZINC000491071599 429322875 /nfs/dbraw/zinc/32/28/75/429322875.db2.gz LVXROSVZIZMUGW-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO N#Cc1c(F)ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1Cl ZINC000365457369 429322899 /nfs/dbraw/zinc/32/28/99/429322899.db2.gz JFCFITJLFKRBBG-UHFFFAOYSA-N 1 2 319.771 2.848 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000491288807 429343848 /nfs/dbraw/zinc/34/38/48/429343848.db2.gz VDSVNLANYARVHA-AWEZNQCLSA-N 1 2 324.428 2.690 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000491288807 429343851 /nfs/dbraw/zinc/34/38/51/429343851.db2.gz VDSVNLANYARVHA-AWEZNQCLSA-N 1 2 324.428 2.690 20 30 DFEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1CC)C1CC1 ZINC000491314167 429348058 /nfs/dbraw/zinc/34/80/58/429348058.db2.gz DHCQXHIYVWNQNN-OAHLLOKOSA-N 1 2 302.443 2.682 20 30 DFEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1CC)C1CC1 ZINC000491314167 429348060 /nfs/dbraw/zinc/34/80/60/429348060.db2.gz DHCQXHIYVWNQNN-OAHLLOKOSA-N 1 2 302.443 2.682 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)[C@@H](C)O1 ZINC000446073774 429298161 /nfs/dbraw/zinc/29/81/61/429298161.db2.gz USFCQNCNVQRSON-JHJVBQTASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)[C@@H](C)O1 ZINC000446073774 429298164 /nfs/dbraw/zinc/29/81/64/429298164.db2.gz USFCQNCNVQRSON-JHJVBQTASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456395285 429298367 /nfs/dbraw/zinc/29/83/67/429298367.db2.gz SKRPAFYLXIRYBV-SMDDNHRTSA-N 1 2 312.398 2.669 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456395278 429298976 /nfs/dbraw/zinc/29/89/76/429298976.db2.gz SKRPAFYLXIRYBV-BXUZGUMPSA-N 1 2 312.398 2.669 20 30 DFEDLO CC(C)c1ccc2ncc(C#N)c(NCCn3cc[nH+]c3)c2c1 ZINC000447679424 429304548 /nfs/dbraw/zinc/30/45/48/429304548.db2.gz KIVQELICZKAHIY-UHFFFAOYSA-N 1 2 305.385 2.960 20 30 DFEDLO CC(C)c1ccc2ncc(C#N)c(NCc3[nH+]ccn3C)c2c1 ZINC000447695827 429304734 /nfs/dbraw/zinc/30/47/34/429304734.db2.gz YRZSFCYNDQHWRN-UHFFFAOYSA-N 1 2 305.385 2.997 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)s1 ZINC000425488354 429309011 /nfs/dbraw/zinc/30/90/11/429309011.db2.gz MTUWZQZCMXMXQO-LLVKDONJSA-N 1 2 318.373 2.771 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000448541581 429313796 /nfs/dbraw/zinc/31/37/96/429313796.db2.gz HXJLICLJYYGYBS-UHFFFAOYSA-N 1 2 309.373 2.787 20 30 DFEDLO C#C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000490962874 429317393 /nfs/dbraw/zinc/31/73/93/429317393.db2.gz QEAUUGSBCVDAEA-QGZVFWFLSA-N 1 2 316.449 2.743 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000491480044 429363791 /nfs/dbraw/zinc/36/37/91/429363791.db2.gz VHFJLACSHYSIQV-PTZVLDCSSA-N 1 2 306.369 2.701 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491624102 429380070 /nfs/dbraw/zinc/38/00/70/429380070.db2.gz JKKPGUYRQSTQHP-FUHWJXTLSA-N 1 2 324.428 2.952 20 30 DFEDLO C#CCn1ccc(C[N@@H+](C/C=C/c2ccccc2)CCOC)n1 ZINC000491634137 429382268 /nfs/dbraw/zinc/38/22/68/429382268.db2.gz QKXFKDLDDOUQNK-JXMROGBWSA-N 1 2 309.413 2.678 20 30 DFEDLO C#CCn1ccc(C[N@H+](C/C=C/c2ccccc2)CCOC)n1 ZINC000491634137 429382272 /nfs/dbraw/zinc/38/22/72/429382272.db2.gz QKXFKDLDDOUQNK-JXMROGBWSA-N 1 2 309.413 2.678 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1 ZINC000491646318 429384601 /nfs/dbraw/zinc/38/46/01/429384601.db2.gz SSTHNSAQBVQDGV-UHFFFAOYSA-N 1 2 313.788 2.809 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1 ZINC000491646318 429384605 /nfs/dbraw/zinc/38/46/05/429384605.db2.gz SSTHNSAQBVQDGV-UHFFFAOYSA-N 1 2 313.788 2.809 20 30 DFEDLO C=CC1CCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000517390608 429387821 /nfs/dbraw/zinc/38/78/21/429387821.db2.gz GUKWTBASFVZBST-LBPRGKRZSA-N 1 2 315.339 2.881 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457306837 429442159 /nfs/dbraw/zinc/44/21/59/429442159.db2.gz FHXUYWKARZPONN-UHFFFAOYSA-N 1 2 300.387 2.637 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(OC)c1)CCO2 ZINC000449528421 429443327 /nfs/dbraw/zinc/44/33/27/429443327.db2.gz PGZUZLQRSIKNJT-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(OC)c1)CCO2 ZINC000449528421 429443331 /nfs/dbraw/zinc/44/33/31/429443331.db2.gz PGZUZLQRSIKNJT-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1cc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)ccc1C#N ZINC000449475862 429429650 /nfs/dbraw/zinc/42/96/50/429429650.db2.gz YCSSUNPTIHILGE-UHFFFAOYSA-N 1 2 322.290 2.665 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428236663 429503668 /nfs/dbraw/zinc/50/36/68/429503668.db2.gz IHJKCXRWRBWGBM-AWEZNQCLSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428236663 429503670 /nfs/dbraw/zinc/50/36/70/429503670.db2.gz IHJKCXRWRBWGBM-AWEZNQCLSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)C(=O)NCC1CCCC1 ZINC000428295825 429507348 /nfs/dbraw/zinc/50/73/48/429507348.db2.gz UCZLMSUULHZFMK-UHFFFAOYSA-N 1 2 317.408 2.872 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457951407 429554528 /nfs/dbraw/zinc/55/45/28/429554528.db2.gz YQMYKPXSKXQFFW-UHFFFAOYSA-N 1 2 311.389 2.563 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428951566 429564051 /nfs/dbraw/zinc/56/40/51/429564051.db2.gz JVPYRGNUUBLCKH-JCGIZDLHSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428951566 429564053 /nfs/dbraw/zinc/56/40/53/429564053.db2.gz JVPYRGNUUBLCKH-JCGIZDLHSA-N 1 2 318.392 2.713 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)CC#N)C2 ZINC000458040518 429570784 /nfs/dbraw/zinc/57/07/84/429570784.db2.gz KZLHPKIADUCLJR-GFCCVEGCSA-N 1 2 302.422 2.694 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)CC#N)CC2 ZINC000458040518 429570787 /nfs/dbraw/zinc/57/07/87/429570787.db2.gz KZLHPKIADUCLJR-GFCCVEGCSA-N 1 2 302.422 2.694 20 30 DFEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000450474303 429635963 /nfs/dbraw/zinc/63/59/63/429635963.db2.gz PXLJULSYSULSIP-APWZRJJASA-N 1 2 309.413 2.962 20 30 DFEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000450474303 429635966 /nfs/dbraw/zinc/63/59/66/429635966.db2.gz PXLJULSYSULSIP-APWZRJJASA-N 1 2 309.413 2.962 20 30 DFEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000523115547 429601684 /nfs/dbraw/zinc/60/16/84/429601684.db2.gz OFQSWODDHXFHNQ-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000523115547 429601688 /nfs/dbraw/zinc/60/16/88/429601688.db2.gz OFQSWODDHXFHNQ-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO Cc1cc(C#N)cc(NC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000367261140 429607804 /nfs/dbraw/zinc/60/78/04/429607804.db2.gz WUELNBFGLHLTNT-UHFFFAOYSA-N 1 2 313.430 2.795 20 30 DFEDLO Cc1cc(C#N)nc(N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000367512649 429662823 /nfs/dbraw/zinc/66/28/23/429662823.db2.gz FJMHHNBUWXWFHJ-HNNXBMFYSA-N 1 2 322.347 2.731 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)c1 ZINC000367518872 429664367 /nfs/dbraw/zinc/66/43/67/429664367.db2.gz KRGBZWQCNIUJJV-CQSZACIVSA-N 1 2 306.369 2.507 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)[C@@H]3CCCc4[nH]c[nH+]c43)CC2)c1 ZINC000367518872 429664370 /nfs/dbraw/zinc/66/43/70/429664370.db2.gz KRGBZWQCNIUJJV-CQSZACIVSA-N 1 2 306.369 2.507 20 30 DFEDLO COc1cc(C[NH+]2CC(OC)(c3ccccc3)C2)ccc1C#N ZINC000459549658 429698798 /nfs/dbraw/zinc/69/87/98/429698798.db2.gz FXIYPYUNECLODM-UHFFFAOYSA-N 1 2 308.381 2.924 20 30 DFEDLO CC(C)OC1CC([N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000459380627 429695955 /nfs/dbraw/zinc/69/59/55/429695955.db2.gz BFXVMZGMUDDLKU-ABHNRTSZSA-N 1 2 300.402 2.888 20 30 DFEDLO CC(C)OC1CC([N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000459380627 429695960 /nfs/dbraw/zinc/69/59/60/429695960.db2.gz BFXVMZGMUDDLKU-ABHNRTSZSA-N 1 2 300.402 2.888 20 30 DFEDLO COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(OC)c1 ZINC000459608673 429700469 /nfs/dbraw/zinc/70/04/69/429700469.db2.gz IDZLRLOPQRLFGH-UHFFFAOYSA-N 1 2 324.380 2.839 20 30 DFEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccn(C)n1 ZINC000459800618 429702472 /nfs/dbraw/zinc/70/24/72/429702472.db2.gz WSIJVEIUJSKCFS-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO C=CCN(CCOC)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493362228 429745494 /nfs/dbraw/zinc/74/54/94/429745494.db2.gz BGBKOGUUUDJOPI-RMKNXTFCSA-N 1 2 311.385 2.547 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000451260515 429797727 /nfs/dbraw/zinc/79/77/27/429797727.db2.gz DKGOPQVDRRLJII-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000451260515 429797731 /nfs/dbraw/zinc/79/77/31/429797731.db2.gz DKGOPQVDRRLJII-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C\c2ccc(C#N)cc2)CC1(C)C ZINC000493446682 429765258 /nfs/dbraw/zinc/76/52/58/429765258.db2.gz BMIZXGUNZUMXOL-JJEJIETFSA-N 1 2 320.396 2.915 20 30 DFEDLO CCC(C#N)(CC)c1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000528107918 429849419 /nfs/dbraw/zinc/84/94/19/429849419.db2.gz KTVNLIIZMWGAIP-UHFFFAOYSA-N 1 2 308.345 2.899 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000368444129 429849541 /nfs/dbraw/zinc/84/95/41/429849541.db2.gz BGFZYVOBJUGSLO-KRWDZBQOSA-N 1 2 320.820 2.982 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000368444129 429849544 /nfs/dbraw/zinc/84/95/44/429849544.db2.gz BGFZYVOBJUGSLO-KRWDZBQOSA-N 1 2 320.820 2.982 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000368435270 429849607 /nfs/dbraw/zinc/84/96/07/429849607.db2.gz RNNRWGAZCHLLLQ-INIZCTEOSA-N 1 2 320.396 2.953 20 30 DFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000451556365 429853169 /nfs/dbraw/zinc/85/31/69/429853169.db2.gz DBIIIZXBLUWADT-IINYFYTJSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000451556365 429853173 /nfs/dbraw/zinc/85/31/73/429853173.db2.gz DBIIIZXBLUWADT-IINYFYTJSA-N 1 2 321.446 2.532 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528361817 429879851 /nfs/dbraw/zinc/87/98/51/429879851.db2.gz BIQYAJKXWBEUKU-OAHLLOKOSA-N 1 2 321.783 2.820 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000528372111 429881007 /nfs/dbraw/zinc/88/10/07/429881007.db2.gz NPMSIWLEIVVXLJ-CZUORRHYSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000528372111 429881009 /nfs/dbraw/zinc/88/10/09/429881009.db2.gz NPMSIWLEIVVXLJ-CZUORRHYSA-N 1 2 320.820 2.768 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774661 429892827 /nfs/dbraw/zinc/89/28/27/429892827.db2.gz JAGFXQUVRCDCAY-AWEZNQCLSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774661 429892828 /nfs/dbraw/zinc/89/28/28/429892828.db2.gz JAGFXQUVRCDCAY-AWEZNQCLSA-N 1 2 319.449 2.928 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504098 429894702 /nfs/dbraw/zinc/89/47/02/429894702.db2.gz MNKSXYSXKUWLKK-KBPBESRZSA-N 1 2 317.437 2.510 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504098 429894703 /nfs/dbraw/zinc/89/47/03/429894703.db2.gz MNKSXYSXKUWLKK-KBPBESRZSA-N 1 2 317.437 2.510 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@H]2O1 ZINC000369185444 429918343 /nfs/dbraw/zinc/91/83/43/429918343.db2.gz VHUVMUXHIIHFEN-HZPDHXFCSA-N 1 2 313.401 2.529 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@H]2O1 ZINC000369185444 429918344 /nfs/dbraw/zinc/91/83/44/429918344.db2.gz VHUVMUXHIIHFEN-HZPDHXFCSA-N 1 2 313.401 2.529 20 30 DFEDLO Cc1noc([C@H]2CCCCN2Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000558418199 429971880 /nfs/dbraw/zinc/97/18/80/429971880.db2.gz SCCBVCQVPPJEEA-OAHLLOKOSA-N 1 2 322.372 2.625 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000574051699 430006142 /nfs/dbraw/zinc/00/61/42/430006142.db2.gz XGCWFHCNXFBERO-CQSZACIVSA-N 1 2 305.447 2.567 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639920891 430022506 /nfs/dbraw/zinc/02/25/06/430022506.db2.gz RARBHEUMTHCLEC-INIZCTEOSA-N 1 2 318.465 2.541 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000639920891 430022510 /nfs/dbraw/zinc/02/25/10/430022510.db2.gz RARBHEUMTHCLEC-INIZCTEOSA-N 1 2 318.465 2.541 20 30 DFEDLO COc1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)ccc1C#N ZINC000529668065 430048808 /nfs/dbraw/zinc/04/88/08/430048808.db2.gz HJSHNDPUKDOUSO-UHFFFAOYSA-N 1 2 320.396 2.793 20 30 DFEDLO COc1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)ccc1C#N ZINC000529668065 430048814 /nfs/dbraw/zinc/04/88/14/430048814.db2.gz HJSHNDPUKDOUSO-UHFFFAOYSA-N 1 2 320.396 2.793 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000637621906 430092520 /nfs/dbraw/zinc/09/25/20/430092520.db2.gz SOOVFTBLMZADKB-CQSZACIVSA-N 1 2 304.438 2.737 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C[C@H](C)C#N)C1CC1)C2 ZINC000530289132 430111000 /nfs/dbraw/zinc/11/10/00/430111000.db2.gz RTRXFFHDXIPTLH-CHWSQXEVSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)CC2 ZINC000530289132 430111003 /nfs/dbraw/zinc/11/10/03/430111003.db2.gz RTRXFFHDXIPTLH-CHWSQXEVSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CC#N)CC1)C2 ZINC000530292212 430111057 /nfs/dbraw/zinc/11/10/57/430111057.db2.gz KHTZHYMEHCDBFB-AWEZNQCLSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CC#N)CC1)CC2 ZINC000530292212 430111061 /nfs/dbraw/zinc/11/10/61/430111061.db2.gz KHTZHYMEHCDBFB-AWEZNQCLSA-N 1 2 314.433 2.790 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000577387102 430114115 /nfs/dbraw/zinc/11/41/15/430114115.db2.gz YWRKZCWETLYAFX-CRAIPNDOSA-N 1 2 315.417 2.544 20 30 DFEDLO CC1CC(C#N)(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000532081517 430151163 /nfs/dbraw/zinc/15/11/63/430151163.db2.gz XIRSBBKVRMWOIP-UHFFFAOYSA-N 1 2 322.412 2.682 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000562630069 430156078 /nfs/dbraw/zinc/15/60/78/430156078.db2.gz DQBFGJNBWSGTNK-RNCFNFMXSA-N 1 2 300.749 2.844 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC(C)C)CC1 ZINC000533016927 430157332 /nfs/dbraw/zinc/15/73/32/430157332.db2.gz XOCHEFPJAOSFRA-KRWDZBQOSA-N 1 2 316.401 2.662 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000536683846 430171089 /nfs/dbraw/zinc/17/10/89/430171089.db2.gz SJMPHGFZGWTZMK-UHFFFAOYSA-N 1 2 301.438 2.839 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000536683846 430171091 /nfs/dbraw/zinc/17/10/91/430171091.db2.gz SJMPHGFZGWTZMK-UHFFFAOYSA-N 1 2 301.438 2.839 20 30 DFEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000536747392 430171132 /nfs/dbraw/zinc/17/11/32/430171132.db2.gz WLJHMQOSKGVHLL-INIZCTEOSA-N 1 2 310.401 2.870 20 30 DFEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000537620759 430173646 /nfs/dbraw/zinc/17/36/46/430173646.db2.gz WAFJEVXIMKZDHM-GFCCVEGCSA-N 1 2 324.384 2.929 20 30 DFEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000537620759 430173651 /nfs/dbraw/zinc/17/36/51/430173651.db2.gz WAFJEVXIMKZDHM-GFCCVEGCSA-N 1 2 324.384 2.929 20 30 DFEDLO C=CCN(C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1CC1 ZINC000539011982 430176364 /nfs/dbraw/zinc/17/63/64/430176364.db2.gz VACSKRLNGIPEPW-ZDUSSCGKSA-N 1 2 316.449 2.855 20 30 DFEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000530498155 430118017 /nfs/dbraw/zinc/11/80/17/430118017.db2.gz JFFSKLAQCRWZDK-UHFFFAOYSA-N 1 2 311.429 2.731 20 30 DFEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000530498155 430118021 /nfs/dbraw/zinc/11/80/21/430118021.db2.gz JFFSKLAQCRWZDK-UHFFFAOYSA-N 1 2 311.429 2.731 20 30 DFEDLO COc1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)no2)cc1 ZINC000580669229 430142871 /nfs/dbraw/zinc/14/28/71/430142871.db2.gz AOZVDBRLAJQNOF-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000531841560 430149155 /nfs/dbraw/zinc/14/91/55/430149155.db2.gz UXBXVGPZCYCALR-ZIAGYGMSSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000531841560 430149158 /nfs/dbraw/zinc/14/91/58/430149158.db2.gz UXBXVGPZCYCALR-ZIAGYGMSSA-N 1 2 317.408 2.753 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563370853 430184152 /nfs/dbraw/zinc/18/41/52/430184152.db2.gz BDJUUIHHSYRQMT-NSHDSACASA-N 1 2 303.328 2.881 20 30 DFEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc2ccccc2c1 ZINC000563220817 430180319 /nfs/dbraw/zinc/18/03/19/430180319.db2.gz VWPBWEQGNCDLKR-LIRRHRJNSA-N 1 2 309.413 2.903 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000565036678 430202279 /nfs/dbraw/zinc/20/22/79/430202279.db2.gz WFLGQFFVEHZUFT-NVXWUHKLSA-N 1 2 308.385 2.607 20 30 DFEDLO C[C@H](c1nccc(N)n1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564465401 430195491 /nfs/dbraw/zinc/19/54/91/430195491.db2.gz NELSZYVLFPUPJE-CYBMUJFWSA-N 1 2 305.385 2.781 20 30 DFEDLO C[C@H](c1nccc(N)n1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564465401 430195494 /nfs/dbraw/zinc/19/54/94/430195494.db2.gz NELSZYVLFPUPJE-CYBMUJFWSA-N 1 2 305.385 2.781 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000581379553 430204223 /nfs/dbraw/zinc/20/42/23/430204223.db2.gz QBPQTFJRXOKHSG-LLVKDONJSA-N 1 2 309.373 2.673 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000581379553 430204226 /nfs/dbraw/zinc/20/42/26/430204226.db2.gz QBPQTFJRXOKHSG-LLVKDONJSA-N 1 2 309.373 2.673 20 30 DFEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1ccccc1 ZINC000635173544 430222323 /nfs/dbraw/zinc/22/23/23/430222323.db2.gz BWECLKBYUGRUOB-AWEZNQCLSA-N 1 2 321.302 2.545 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000565707685 430223380 /nfs/dbraw/zinc/22/33/80/430223380.db2.gz XFYFIMZHYUPUSE-ZDUSSCGKSA-N 1 2 321.471 2.776 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000565707685 430223382 /nfs/dbraw/zinc/22/33/82/430223382.db2.gz XFYFIMZHYUPUSE-ZDUSSCGKSA-N 1 2 321.471 2.776 20 30 DFEDLO N#CCC[NH2+]Cc1ccc(Cl)cc1I ZINC000566123338 430243373 /nfs/dbraw/zinc/24/33/73/430243373.db2.gz HGYZSVXBHUGIQN-UHFFFAOYSA-N 1 2 320.561 2.948 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)C1CC1 ZINC000566675098 430271964 /nfs/dbraw/zinc/27/19/64/430271964.db2.gz CASMDPLFPJJAMF-OAHLLOKOSA-N 1 2 315.421 2.597 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000566017858 430237431 /nfs/dbraw/zinc/23/74/31/430237431.db2.gz MVDYZVRBOMWSGL-INIZCTEOSA-N 1 2 312.417 2.832 20 30 DFEDLO Cc1ccc(CCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000567995896 430304210 /nfs/dbraw/zinc/30/42/10/430304210.db2.gz YJZBMYCJQOYCRF-SFHVURJKSA-N 1 2 301.434 2.668 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ncc(-c3ccccc3)o2)nn1 ZINC000641054982 430315261 /nfs/dbraw/zinc/31/52/61/430315261.db2.gz KZWLHZIVAFKUBC-CQSZACIVSA-N 1 2 321.384 2.655 20 30 DFEDLO C=C(C)[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000569221839 430434046 /nfs/dbraw/zinc/43/40/46/430434046.db2.gz DKCYOHNSACNCTA-MRXNPFEDSA-N 1 2 305.328 2.674 20 30 DFEDLO Cc1nc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)no1 ZINC000585116508 430479521 /nfs/dbraw/zinc/47/95/21/430479521.db2.gz ZCIQQHACTTUQJJ-LBPRGKRZSA-N 1 2 311.389 2.887 20 30 DFEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)c1[nH]cc[nH+]1 ZINC000590568096 430486902 /nfs/dbraw/zinc/48/69/02/430486902.db2.gz OYIXRDRAHIZNCK-GFCCVEGCSA-N 1 2 320.400 3.380 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618227 430503942 /nfs/dbraw/zinc/50/39/42/430503942.db2.gz ZHLUQOQZYZLAAM-LSDHHAIUSA-N 1 2 318.421 3.106 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618227 430503948 /nfs/dbraw/zinc/50/39/48/430503948.db2.gz ZHLUQOQZYZLAAM-LSDHHAIUSA-N 1 2 318.421 3.106 20 30 DFEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCCC2)sc1Cl ZINC000596355297 430513282 /nfs/dbraw/zinc/51/32/82/430513282.db2.gz BOUPHHSDTKKCOD-UHFFFAOYSA-N 1 2 319.821 3.275 20 30 DFEDLO CCc1[nH+]c2cc(CNc3cc(C#N)ncn3)ccc2n1C1CC1 ZINC000548986570 430513937 /nfs/dbraw/zinc/51/39/37/430513937.db2.gz IDWKKAIZFCXRBX-UHFFFAOYSA-N 1 2 318.384 3.207 20 30 DFEDLO N#CC1(CC[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CCCCC1 ZINC000570298603 430531369 /nfs/dbraw/zinc/53/13/69/430531369.db2.gz MAGJVOYDPFRIIY-ZDUSSCGKSA-N 1 2 303.410 2.554 20 30 DFEDLO N#CC1(CC[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CCCCC1 ZINC000570298603 430531374 /nfs/dbraw/zinc/53/13/74/430531374.db2.gz MAGJVOYDPFRIIY-ZDUSSCGKSA-N 1 2 303.410 2.554 20 30 DFEDLO COCCCCNc1ccc(-c2ccc(OC)c(C#N)c2)c[nH+]1 ZINC000600788435 430533860 /nfs/dbraw/zinc/53/38/60/430533860.db2.gz LDWDRVARRMXQEE-UHFFFAOYSA-N 1 2 311.385 3.467 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000550259838 430539682 /nfs/dbraw/zinc/53/96/82/430539682.db2.gz VVXHQJFYVHZALT-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO Cc1cc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c(C)c[nH+]1 ZINC000551941069 430573245 /nfs/dbraw/zinc/57/32/45/430573245.db2.gz JWJZWWMIVRGVHR-UHFFFAOYSA-N 1 2 306.369 2.803 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000571892487 430659435 /nfs/dbraw/zinc/65/94/35/430659435.db2.gz IWEYEMLOWMYSRU-AWEZNQCLSA-N 1 2 318.808 2.869 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1CCC)Cc1cccs1 ZINC000639433508 430637523 /nfs/dbraw/zinc/63/75/23/430637523.db2.gz AVTVXRLCCSMNGX-UHFFFAOYSA-N 1 2 318.446 2.981 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccnn1CCC)Cc1cccs1 ZINC000639433508 430637524 /nfs/dbraw/zinc/63/75/24/430637524.db2.gz AVTVXRLCCSMNGX-UHFFFAOYSA-N 1 2 318.446 2.981 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CC#Cc2ccc(Cl)cc2)C1 ZINC000643858322 430637996 /nfs/dbraw/zinc/63/79/96/430637996.db2.gz ZAKDEWRGTQBIGM-CVEARBPZSA-N 1 2 315.804 2.877 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000555427419 430667380 /nfs/dbraw/zinc/66/73/80/430667380.db2.gz FRMPXUDBEIOLHA-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000555427419 430667383 /nfs/dbraw/zinc/66/73/83/430667383.db2.gz FRMPXUDBEIOLHA-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)CCc1ccccc1)n1cc[nH+]c1 ZINC000572769362 430696883 /nfs/dbraw/zinc/69/68/83/430696883.db2.gz YFPNDRBQQBTMKE-MAUKXSAKSA-N 1 2 310.401 2.865 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000572977545 430699013 /nfs/dbraw/zinc/69/90/13/430699013.db2.gz ASCXRJVQZVFXPV-OAHLLOKOSA-N 1 2 323.400 2.503 20 30 DFEDLO CN(C(=O)c1ccc(C#N)cn1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000572998903 430699116 /nfs/dbraw/zinc/69/91/16/430699116.db2.gz BFMBTEPBHKUPIV-INIZCTEOSA-N 1 2 317.352 2.538 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000661416387 430706696 /nfs/dbraw/zinc/70/66/96/430706696.db2.gz XTLPVDNOZDTASY-LSDHHAIUSA-N 1 2 302.422 2.928 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000661416385 430707271 /nfs/dbraw/zinc/70/72/71/430707271.db2.gz XTLPVDNOZDTASY-HUUCEWRRSA-N 1 2 302.422 2.928 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)C1=O ZINC000661438033 430718536 /nfs/dbraw/zinc/71/85/36/430718536.db2.gz RRAYSMRYGJHXJB-GOEBONIOSA-N 1 2 300.402 2.984 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC3(CCCC3)[C@H]2c2ccco2)C1=O ZINC000661438033 430718542 /nfs/dbraw/zinc/71/85/42/430718542.db2.gz RRAYSMRYGJHXJB-GOEBONIOSA-N 1 2 300.402 2.984 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651143918 430719327 /nfs/dbraw/zinc/71/93/27/430719327.db2.gz PHODXUIWSCWOAG-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000661509140 430741371 /nfs/dbraw/zinc/74/13/71/430741371.db2.gz STZQEMVLZKATAM-XGWLTEMNSA-N 1 2 313.401 2.888 20 30 DFEDLO C[C@](O)(C[NH2+]Cc1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000644585852 430760366 /nfs/dbraw/zinc/76/03/66/430760366.db2.gz XQIUPTNERBOYGQ-JTQLQIEISA-N 1 2 305.193 2.646 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658137742 430822261 /nfs/dbraw/zinc/82/22/61/430822261.db2.gz LKXNYZSXJHDYBG-HOCLYGCPSA-N 1 2 315.417 2.888 20 30 DFEDLO COCC#CC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643187 430787357 /nfs/dbraw/zinc/78/73/57/430787357.db2.gz OFTANYYLUCAGSD-CYBMUJFWSA-N 1 2 302.201 2.608 20 30 DFEDLO COCC#CC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643187 430787363 /nfs/dbraw/zinc/78/73/63/430787363.db2.gz OFTANYYLUCAGSD-CYBMUJFWSA-N 1 2 302.201 2.608 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2=CCCOC2)c1C ZINC000661656438 430792498 /nfs/dbraw/zinc/79/24/98/430792498.db2.gz GQSZUPSIIIGQJN-UHFFFAOYSA-N 1 2 302.418 2.752 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CC2=CCCOC2)c1C ZINC000661656438 430792501 /nfs/dbraw/zinc/79/25/01/430792501.db2.gz GQSZUPSIIIGQJN-UHFFFAOYSA-N 1 2 302.418 2.752 20 30 DFEDLO C=CCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665625705 430985823 /nfs/dbraw/zinc/98/58/23/430985823.db2.gz KCBDUYDJFDXIDE-GJZGRUSLSA-N 1 2 317.433 2.993 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000665847437 431050191 /nfs/dbraw/zinc/05/01/91/431050191.db2.gz SBHRTFIDFPKYTN-LBPRGKRZSA-N 1 2 300.362 2.868 20 30 DFEDLO C=CC1CCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645753250 431062093 /nfs/dbraw/zinc/06/20/93/431062093.db2.gz AJLOUFSTYVANTH-UHFFFAOYSA-N 1 2 312.417 2.793 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660143109 431290366 /nfs/dbraw/zinc/29/03/66/431290366.db2.gz LYDQSOUGRPOMRM-ZDUSSCGKSA-N 1 2 318.446 2.506 20 30 DFEDLO C=CCC1(CNC(=O)N2CCn3cc(C)[nH+]c3C2)CCCC1 ZINC000656210100 431312185 /nfs/dbraw/zinc/31/21/85/431312185.db2.gz YAPYXNWEHFAZBT-UHFFFAOYSA-N 1 2 302.422 2.853 20 30 DFEDLO C=C[C@@H](O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000646685759 431368432 /nfs/dbraw/zinc/36/84/32/431368432.db2.gz QIOQGBUSNRSMRD-MRXNPFEDSA-N 1 2 307.353 2.795 20 30 DFEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2ccccc2OC)nn1 ZINC000653578450 431444705 /nfs/dbraw/zinc/44/47/05/431444705.db2.gz LGASZAHEAYIMRQ-UHFFFAOYSA-N 1 2 300.406 2.888 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)nn1 ZINC000653593976 431451568 /nfs/dbraw/zinc/45/15/68/431451568.db2.gz YZYHMBLAXZXCDH-OAHLLOKOSA-N 1 2 300.410 2.531 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)nn1 ZINC000653593976 431451571 /nfs/dbraw/zinc/45/15/71/431451571.db2.gz YZYHMBLAXZXCDH-OAHLLOKOSA-N 1 2 300.410 2.531 20 30 DFEDLO CC(=O)c1nc(CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]c1C ZINC000660617595 431516031 /nfs/dbraw/zinc/51/60/31/431516031.db2.gz XOXSYYKJXIDFIB-SJORKVTESA-N 1 2 322.412 2.702 20 30 DFEDLO CC(=O)c1nc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]c1C ZINC000660617595 431516039 /nfs/dbraw/zinc/51/60/39/431516039.db2.gz XOXSYYKJXIDFIB-SJORKVTESA-N 1 2 322.412 2.702 20 30 DFEDLO CC(=O)c1[nH]c(CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)nc1C ZINC000660617595 431516045 /nfs/dbraw/zinc/51/60/45/431516045.db2.gz XOXSYYKJXIDFIB-SJORKVTESA-N 1 2 322.412 2.702 20 30 DFEDLO CC(=O)c1[nH]c(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)nc1C ZINC000660617595 431516049 /nfs/dbraw/zinc/51/60/49/431516049.db2.gz XOXSYYKJXIDFIB-SJORKVTESA-N 1 2 322.412 2.702 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)C2(CCCCC2)C1 ZINC000653724921 431503970 /nfs/dbraw/zinc/50/39/70/431503970.db2.gz SQEOENUJYYHMHX-KRWDZBQOSA-N 1 2 319.493 2.526 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000653724921 431503980 /nfs/dbraw/zinc/50/39/80/431503980.db2.gz SQEOENUJYYHMHX-KRWDZBQOSA-N 1 2 319.493 2.526 20 30 DFEDLO C=CCCn1cc(CNc2ccc(N3CCCCC3)c[nH+]2)nn1 ZINC000656770160 431513698 /nfs/dbraw/zinc/51/36/98/431513698.db2.gz QGBAEEPBNCGDST-UHFFFAOYSA-N 1 2 312.421 2.852 20 30 DFEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCCC1 ZINC000654021076 431623250 /nfs/dbraw/zinc/62/32/50/431623250.db2.gz DCYJLDOLGXDPPN-UHFFFAOYSA-N 1 2 311.389 2.671 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000660935943 431668147 /nfs/dbraw/zinc/66/81/47/431668147.db2.gz BLNPWSJSBUUAOV-SOUVJXGZSA-N 1 2 300.406 2.653 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000664145468 431672287 /nfs/dbraw/zinc/67/22/87/431672287.db2.gz SZBTTXCLTRNQAK-OAGGEKHMSA-N 1 2 316.449 2.985 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000664145468 431672291 /nfs/dbraw/zinc/67/22/91/431672291.db2.gz SZBTTXCLTRNQAK-OAGGEKHMSA-N 1 2 316.449 2.985 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC)nn1 ZINC000657333481 431683963 /nfs/dbraw/zinc/68/39/63/431683963.db2.gz LNMAZNDCVNESHZ-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661156127 431756681 /nfs/dbraw/zinc/75/66/81/431756681.db2.gz VQVPCCCLSHZNAH-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000661156127 431756685 /nfs/dbraw/zinc/75/66/85/431756685.db2.gz VQVPCCCLSHZNAH-HIFRSBDPSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)[C@H](C)COC ZINC000661241336 431790833 /nfs/dbraw/zinc/79/08/33/431790833.db2.gz WAIUGUGYTPUIJF-GFCCVEGCSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)[C@H](C)COC ZINC000661241336 431790837 /nfs/dbraw/zinc/79/08/37/431790837.db2.gz WAIUGUGYTPUIJF-GFCCVEGCSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC=C)[C@@H](C)COC)c1C ZINC000661242781 431791623 /nfs/dbraw/zinc/79/16/23/431791623.db2.gz FWYYMQZYXFXURS-HNNXBMFYSA-N 1 2 304.434 2.997 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC=C)[C@@H](C)COC)c1C ZINC000661242781 431791632 /nfs/dbraw/zinc/79/16/32/431791632.db2.gz FWYYMQZYXFXURS-HNNXBMFYSA-N 1 2 304.434 2.997 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2cccc(OC3CC3)c2F)nn1 ZINC000657621211 431828627 /nfs/dbraw/zinc/82/86/27/431828627.db2.gz JKTIFYUQMCGHNF-UHFFFAOYSA-N 1 2 316.380 2.824 20 30 DFEDLO Cc1nc(N2CCCN(c3ccc(C#N)cc3)CC2)c(C)c(C)[nH+]1 ZINC000363856294 281865398 /nfs/dbraw/zinc/86/53/98/281865398.db2.gz PRXRTEMAOPYJPQ-UHFFFAOYSA-N 1 2 321.428 2.990 20 30 DFEDLO C=CCCCS(=O)(=O)Oc1cc2c[nH+]ccc2cc1OC ZINC000292494357 335090893 /nfs/dbraw/zinc/09/08/93/335090893.db2.gz GJAPYPHOXNNRCP-UHFFFAOYSA-N 1 2 307.371 2.918 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2ccccc2C#N)CCCCCC1 ZINC000154815926 295306873 /nfs/dbraw/zinc/30/68/73/295306873.db2.gz CEKCORMFWFOCJD-UHFFFAOYSA-N 1 2 316.401 2.793 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2cccc(C#N)c2)CCCCCC1 ZINC000154875099 295307972 /nfs/dbraw/zinc/30/79/72/295307972.db2.gz VDCOUKCUNCCOQK-UHFFFAOYSA-N 1 2 316.401 2.793 20 30 DFEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000155529447 295320390 /nfs/dbraw/zinc/32/03/90/295320390.db2.gz KRZDUEGYNVGRSQ-UHFFFAOYSA-N 1 2 305.397 2.728 20 30 DFEDLO C[C@H](c1ccco1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685700 295339870 /nfs/dbraw/zinc/33/98/70/295339870.db2.gz TVMWVLRPSDCKPM-CYBMUJFWSA-N 1 2 318.398 2.618 20 30 DFEDLO C[C@H](c1ccco1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685700 295339872 /nfs/dbraw/zinc/33/98/72/295339872.db2.gz TVMWVLRPSDCKPM-CYBMUJFWSA-N 1 2 318.398 2.618 20 30 DFEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)on1 ZINC000535787982 301261633 /nfs/dbraw/zinc/26/16/33/301261633.db2.gz DLBOPHVEWREXRH-OAHLLOKOSA-N 1 2 307.357 2.840 20 30 DFEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)on1 ZINC000535787982 301261637 /nfs/dbraw/zinc/26/16/37/301261637.db2.gz DLBOPHVEWREXRH-OAHLLOKOSA-N 1 2 307.357 2.840 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1F ZINC000539248627 301339829 /nfs/dbraw/zinc/33/98/29/301339829.db2.gz UTHZDFSGOZBOFV-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(C#N)cc2[N+](=O)[O-])CC1(C)C ZINC000296271599 303010982 /nfs/dbraw/zinc/01/09/82/303010982.db2.gz KIAXOEOOUJGRKP-CQSZACIVSA-N 1 2 311.345 2.787 20 30 DFEDLO N#Cc1cccc(F)c1CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351966511 303203858 /nfs/dbraw/zinc/20/38/58/303203858.db2.gz ZMHYDWZKNXEQEA-OAHLLOKOSA-N 1 2 312.348 2.717 20 30 DFEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000184196359 316161637 /nfs/dbraw/zinc/16/16/37/316161637.db2.gz OGJBBOCMJFBWKA-JTQLQIEISA-N 1 2 318.402 2.822 20 30 DFEDLO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000185074884 316178904 /nfs/dbraw/zinc/17/89/04/316178904.db2.gz YAPGHNUZFSUGCI-GFCCVEGCSA-N 1 2 318.402 2.904 20 30 DFEDLO Cc1cc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000576340622 318119602 /nfs/dbraw/zinc/11/96/02/318119602.db2.gz JQDLSGKYASPMBZ-CQSZACIVSA-N 1 2 313.323 2.791 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000578049966 318234474 /nfs/dbraw/zinc/23/44/74/318234474.db2.gz MDAIDNNOYSBODU-HOTGVXAUSA-N 1 2 320.396 2.895 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000578049966 318234476 /nfs/dbraw/zinc/23/44/76/318234476.db2.gz MDAIDNNOYSBODU-HOTGVXAUSA-N 1 2 320.396 2.895 20 30 DFEDLO Cc1cccn2cc(CC(=O)Nc3ccc(C#N)c(F)c3)[nH+]c12 ZINC000578707626 318278482 /nfs/dbraw/zinc/27/84/82/318278482.db2.gz KRPRMWQEQMEUJD-UHFFFAOYSA-N 1 2 308.316 2.835 20 30 DFEDLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1C#N ZINC000579087010 318306075 /nfs/dbraw/zinc/30/60/75/318306075.db2.gz CNVYZORAOVSIGA-UHFFFAOYSA-N 1 2 300.387 2.586 20 30 DFEDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000579369627 318326607 /nfs/dbraw/zinc/32/66/07/318326607.db2.gz HVLMQVDCBQZOLU-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000580164325 318379789 /nfs/dbraw/zinc/37/97/89/318379789.db2.gz DMXJSHTWSIAIPX-SWLSCSKDSA-N 1 2 321.384 2.749 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000297751541 331606642 /nfs/dbraw/zinc/60/66/42/331606642.db2.gz DTJZLHODIQKUCO-CYBMUJFWSA-N 1 2 304.390 2.705 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000297954412 331615040 /nfs/dbraw/zinc/61/50/40/331615040.db2.gz TWTWIDGEDQRTTM-CYBMUJFWSA-N 1 2 303.362 2.904 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)C3CCCCC3)[nH+]c12 ZINC000530654296 331615897 /nfs/dbraw/zinc/61/58/97/331615897.db2.gz FEAOEKHRDPRQND-MRXNPFEDSA-N 1 2 310.401 2.774 20 30 DFEDLO N#CCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000049750664 331744464 /nfs/dbraw/zinc/74/44/64/331744464.db2.gz AAUFJUREONIGDG-UHFFFAOYSA-N 1 2 307.781 2.610 20 30 DFEDLO N#CCCN(C(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000558146346 331879750 /nfs/dbraw/zinc/87/97/50/331879750.db2.gz RYWJPYCSKOXEPZ-UHFFFAOYSA-N 1 2 322.343 2.963 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC)c1nc2ccccc2s1 ZINC000573503798 332118700 /nfs/dbraw/zinc/11/87/00/332118700.db2.gz QVMSKHINERIQTA-LBPRGKRZSA-N 1 2 316.430 2.931 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000092936547 332132368 /nfs/dbraw/zinc/13/23/68/332132368.db2.gz PRHBTSHHKNBJNR-UHFFFAOYSA-N 1 2 315.751 2.583 20 30 DFEDLO C#CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(F)cc1 ZINC000092541670 332133134 /nfs/dbraw/zinc/13/31/34/332133134.db2.gz KQJHWDBRJCBPRP-UHFFFAOYSA-N 1 2 302.374 2.622 20 30 DFEDLO C#CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(F)cc1 ZINC000092541670 332133136 /nfs/dbraw/zinc/13/31/36/332133136.db2.gz KQJHWDBRJCBPRP-UHFFFAOYSA-N 1 2 302.374 2.622 20 30 DFEDLO C=CCOc1cccc(NC(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000363713461 332227772 /nfs/dbraw/zinc/22/77/72/332227772.db2.gz OUTJTCFIKXJCTE-UHFFFAOYSA-N 1 2 312.373 2.804 20 30 DFEDLO N#CCCn1cc(C(=O)C[NH+]2CCSCC2)c2ccccc21 ZINC000103468064 332239350 /nfs/dbraw/zinc/23/93/50/332239350.db2.gz KJGZYBZAYRWCSX-UHFFFAOYSA-N 1 2 313.426 2.786 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000104090498 332243391 /nfs/dbraw/zinc/24/33/91/332243391.db2.gz IPYVTQDPGRRGMB-UHFFFAOYSA-N 1 2 300.793 2.529 20 30 DFEDLO Cc1cc(C(N)=[NH+]OCc2noc(C(C)(C)C)n2)ccc1F ZINC000109062351 332276594 /nfs/dbraw/zinc/27/65/94/332276594.db2.gz DMPRVULRVXOFFJ-UHFFFAOYSA-N 1 2 306.341 2.652 20 30 DFEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902392 332292662 /nfs/dbraw/zinc/29/26/62/332292662.db2.gz IRAYLOWAIHSQDC-PBHICJAKSA-N 1 2 311.385 2.592 20 30 DFEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902392 332292663 /nfs/dbraw/zinc/29/26/63/332292663.db2.gz IRAYLOWAIHSQDC-PBHICJAKSA-N 1 2 311.385 2.592 20 30 DFEDLO C=CCC(F)(F)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000293088636 335099997 /nfs/dbraw/zinc/09/99/97/335099997.db2.gz DVARLHNKKHWQOZ-UHFFFAOYSA-N 1 2 305.328 2.974 20 30 DFEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000425588220 335107586 /nfs/dbraw/zinc/10/75/86/335107586.db2.gz OFKYBNXLTBNSOQ-UHFFFAOYSA-N 1 2 313.357 2.552 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000293338769 335104349 /nfs/dbraw/zinc/10/43/49/335104349.db2.gz YMPQIBBYMTXPHU-UHFFFAOYSA-N 1 2 306.207 2.791 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000293338769 335104350 /nfs/dbraw/zinc/10/43/50/335104350.db2.gz YMPQIBBYMTXPHU-UHFFFAOYSA-N 1 2 306.207 2.791 20 30 DFEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185079547 335109448 /nfs/dbraw/zinc/10/94/48/335109448.db2.gz NXPCDXVMMPSJOZ-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000562529130 332602436 /nfs/dbraw/zinc/60/24/36/332602436.db2.gz QEUATMRHATZHCG-XYPHTWIQSA-N 1 2 311.385 2.641 20 30 DFEDLO C=CCC(C)(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000293797129 335117432 /nfs/dbraw/zinc/11/74/32/335117432.db2.gz VCNMPAJBRKHHHP-UHFFFAOYSA-N 1 2 303.406 2.767 20 30 DFEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000580267110 333045721 /nfs/dbraw/zinc/04/57/21/333045721.db2.gz NOHOQKAQACSJEI-LLVKDONJSA-N 1 2 309.156 2.571 20 30 DFEDLO CC[N@H+](CCCNC(=O)NCCCCC#N)c1ccccc1 ZINC000171731263 333053470 /nfs/dbraw/zinc/05/34/70/333053470.db2.gz XZUYCUZAWFSRLG-UHFFFAOYSA-N 1 2 302.422 2.896 20 30 DFEDLO CC[N@@H+](CCCNC(=O)NCCCCC#N)c1ccccc1 ZINC000171731263 333053472 /nfs/dbraw/zinc/05/34/72/333053472.db2.gz XZUYCUZAWFSRLG-UHFFFAOYSA-N 1 2 302.422 2.896 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000173546120 333074920 /nfs/dbraw/zinc/07/49/20/333074920.db2.gz SWNRMVGXVXERJB-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000173546120 333074921 /nfs/dbraw/zinc/07/49/21/333074921.db2.gz SWNRMVGXVXERJB-UHFFFAOYSA-N 1 2 313.445 2.833 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C(C)C ZINC000294242248 335122070 /nfs/dbraw/zinc/12/20/70/335122070.db2.gz OXDAVDXKNLVOAK-CQSZACIVSA-N 1 2 303.406 2.506 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000177374330 333128143 /nfs/dbraw/zinc/12/81/43/333128143.db2.gz PMRIXWKPHYZWNH-VIFPVBQESA-N 1 2 311.179 2.912 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000177374330 333128145 /nfs/dbraw/zinc/12/81/45/333128145.db2.gz PMRIXWKPHYZWNH-VIFPVBQESA-N 1 2 311.179 2.912 20 30 DFEDLO Cc1cc(C)c(CNC(=O)N2CCC(CCC#N)CC2)c[nH+]1 ZINC000563042110 333135960 /nfs/dbraw/zinc/13/59/60/333135960.db2.gz CZSBHIUWHLIOSZ-UHFFFAOYSA-N 1 2 300.406 2.924 20 30 DFEDLO C=CCc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc(OC)c1O ZINC000294679671 335125162 /nfs/dbraw/zinc/12/51/62/335125162.db2.gz BLSODYHAUUSMAO-UHFFFAOYSA-N 1 2 316.405 2.661 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCCCOCc2ccccc2)cs1 ZINC000183247001 333183785 /nfs/dbraw/zinc/18/37/85/333183785.db2.gz WSJPCUJOGKEYNN-UHFFFAOYSA-N 1 2 319.430 2.890 20 30 DFEDLO CC[C@H](CC#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000183929970 333189872 /nfs/dbraw/zinc/18/98/72/333189872.db2.gz UNQKDUUWAAQVGQ-CYBMUJFWSA-N 1 2 316.430 2.684 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000363889599 333192637 /nfs/dbraw/zinc/19/26/37/333192637.db2.gz PVJPESPAHUSZFG-HUUCEWRRSA-N 1 2 320.437 2.707 20 30 DFEDLO CCc1nc(CO[NH+]=C(N)COc2cccc(F)c2)cs1 ZINC000186832584 333223582 /nfs/dbraw/zinc/22/35/82/333223582.db2.gz MOVSIJJXALWFDM-UHFFFAOYSA-N 1 2 309.366 2.712 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C\c2cc(OC)ccc2O)C1 ZINC000497244594 333226866 /nfs/dbraw/zinc/22/68/66/333226866.db2.gz PUIHITKVYGUKRS-WJNVDMNUSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CCOc1ccc(CC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000294994351 335129587 /nfs/dbraw/zinc/12/95/87/335129587.db2.gz PNSITLGVTYKMIT-UHFFFAOYSA-N 1 2 313.401 2.539 20 30 DFEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCC2(CC1)OCCO2 ZINC000190263093 333269110 /nfs/dbraw/zinc/26/91/10/333269110.db2.gz DFGLYZJZIFBNCY-UHFFFAOYSA-N 1 2 304.390 2.929 20 30 DFEDLO N#CCC[N@H+](Cc1ccco1)CC1CCC2(CC1)OCCO2 ZINC000190263093 333269112 /nfs/dbraw/zinc/26/91/12/333269112.db2.gz DFGLYZJZIFBNCY-UHFFFAOYSA-N 1 2 304.390 2.929 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000364185863 333269272 /nfs/dbraw/zinc/26/92/72/333269272.db2.gz FJXUFCZHXXTKEU-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000364185863 333269273 /nfs/dbraw/zinc/26/92/73/333269273.db2.gz FJXUFCZHXXTKEU-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc(OC)c1O ZINC000364504012 333324519 /nfs/dbraw/zinc/32/45/19/333324519.db2.gz BGHSMEMRPUSAHE-KRWDZBQOSA-N 1 2 303.402 2.740 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cc(OC)c1O ZINC000364504012 333324520 /nfs/dbraw/zinc/32/45/20/333324520.db2.gz BGHSMEMRPUSAHE-KRWDZBQOSA-N 1 2 303.402 2.740 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)C[C@@H](C)C#N ZINC000364516218 333324870 /nfs/dbraw/zinc/32/48/70/333324870.db2.gz CFLFYYWFISKWOD-DZGCQCFKSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)C[C@@H](C)C#N ZINC000364516218 333324871 /nfs/dbraw/zinc/32/48/71/333324871.db2.gz CFLFYYWFISKWOD-DZGCQCFKSA-N 1 2 305.447 2.893 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364896179 333332724 /nfs/dbraw/zinc/33/27/24/333332724.db2.gz ORLAIKRZEKHNOU-JKSUJKDBSA-N 1 2 308.385 2.607 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000365166242 333356121 /nfs/dbraw/zinc/35/61/21/333356121.db2.gz XTLTYTLUPPSGDD-MSOLQXFVSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000365166242 333356123 /nfs/dbraw/zinc/35/61/23/333356123.db2.gz XTLTYTLUPPSGDD-MSOLQXFVSA-N 1 2 315.413 2.821 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(CC)[nH]2)ccc1OC ZINC000295585133 335136160 /nfs/dbraw/zinc/13/61/60/335136160.db2.gz BRAUHONRHYXDSV-UHFFFAOYSA-N 1 2 316.405 2.620 20 30 DFEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)cc1 ZINC000365614834 333413370 /nfs/dbraw/zinc/41/33/70/333413370.db2.gz VKJDLGFTHYNKRB-HNNXBMFYSA-N 1 2 308.381 2.681 20 30 DFEDLO Cc1cccn2cc(CC(=O)N3CCC(CCC#N)CC3)[nH+]c12 ZINC000563188414 333447631 /nfs/dbraw/zinc/44/76/31/333447631.db2.gz LEHQLLNPLCLAHV-UHFFFAOYSA-N 1 2 310.401 2.728 20 30 DFEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccccc1 ZINC000337583001 333453919 /nfs/dbraw/zinc/45/39/19/333453919.db2.gz JRXKNSHPUQHLSI-VQIMIIECSA-N 1 2 321.424 2.914 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000296332716 335143399 /nfs/dbraw/zinc/14/33/99/335143399.db2.gz QWEQUGWKBWNRBE-UKRRQHHQSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000296332716 335143400 /nfs/dbraw/zinc/14/34/00/335143400.db2.gz QWEQUGWKBWNRBE-UKRRQHHQSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC=C(COC)CC2)c1C ZINC000185843947 335154273 /nfs/dbraw/zinc/15/42/73/335154273.db2.gz CHKCVLJEMDKREC-UHFFFAOYSA-N 1 2 302.418 2.752 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC=C(COC)CC2)c1C ZINC000185843947 335154274 /nfs/dbraw/zinc/15/42/74/335154274.db2.gz CHKCVLJEMDKREC-UHFFFAOYSA-N 1 2 302.418 2.752 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000413124236 333833349 /nfs/dbraw/zinc/83/33/49/333833349.db2.gz FJHMQVKBBCAXGO-WBVHZDCISA-N 1 2 312.417 2.758 20 30 DFEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266243611 333972576 /nfs/dbraw/zinc/97/25/76/333972576.db2.gz XWGSDLNWKSSKJU-AWEZNQCLSA-N 1 2 321.421 2.592 20 30 DFEDLO COc1ccc(CC(N)=[NH+]OCc2sc(C)nc2C)cc1 ZINC000266289708 333972877 /nfs/dbraw/zinc/97/28/77/333972877.db2.gz LPICXSUGPHMHQK-UHFFFAOYSA-N 1 2 305.403 2.800 20 30 DFEDLO CCO[C@H](CC/[NH+]=C/c1c(CO)cnc(C)c1O)C1CCCC1 ZINC000267100892 333979217 /nfs/dbraw/zinc/97/92/17/333979217.db2.gz UBHJKVLTIUKGJI-HDZGYNCQSA-N 1 2 320.433 2.992 20 30 DFEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC(=O)C1CC1 ZINC000271120240 334019006 /nfs/dbraw/zinc/01/90/06/334019006.db2.gz HGAGBWIZHWGYBE-GFCCVEGCSA-N 1 2 302.374 2.602 20 30 DFEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC(=O)C1CC1 ZINC000271120240 334019007 /nfs/dbraw/zinc/01/90/07/334019007.db2.gz HGAGBWIZHWGYBE-GFCCVEGCSA-N 1 2 302.374 2.602 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000274589029 334063735 /nfs/dbraw/zinc/06/37/35/334063735.db2.gz JSOSHYKRTBVNOA-GJZGRUSLSA-N 1 2 308.426 2.607 20 30 DFEDLO CC(C)(C)C1CCC(C#N)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000274637793 334064338 /nfs/dbraw/zinc/06/43/38/334064338.db2.gz JKPRLDCKERBLDI-UHFFFAOYSA-N 1 2 302.422 2.888 20 30 DFEDLO COCCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCCCC1 ZINC000274784109 334066512 /nfs/dbraw/zinc/06/65/12/334066512.db2.gz LWEUORIWXRIABX-YBFXNURJSA-N 1 2 320.433 2.994 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCc1ccc2ccccc2c1 ZINC000275704932 334072895 /nfs/dbraw/zinc/07/28/95/334072895.db2.gz LHBKBWQQGCBRRU-UHFFFAOYSA-N 1 2 313.401 2.586 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000278305165 334094882 /nfs/dbraw/zinc/09/48/82/334094882.db2.gz WIAJHDXXBJJORL-UHFFFAOYSA-N 1 2 318.421 2.712 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000278305165 334094883 /nfs/dbraw/zinc/09/48/83/334094883.db2.gz WIAJHDXXBJJORL-UHFFFAOYSA-N 1 2 318.421 2.712 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)s1 ZINC000278688332 334099677 /nfs/dbraw/zinc/09/96/77/334099677.db2.gz SBIQZGWJWKURNN-KBPBESRZSA-N 1 2 303.431 2.507 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2SCCCC1(C#N)CCOCC1 ZINC000280923112 334120995 /nfs/dbraw/zinc/12/09/95/334120995.db2.gz GQVQJYUTNWLSOZ-UHFFFAOYSA-N 1 2 317.418 2.556 20 30 DFEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283932356 334141946 /nfs/dbraw/zinc/14/19/46/334141946.db2.gz FDNRDGWBINWHIC-AWEZNQCLSA-N 1 2 301.346 2.618 20 30 DFEDLO CC(C)c1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284080759 334142432 /nfs/dbraw/zinc/14/24/32/334142432.db2.gz KNJRDLRLRKJDMC-SWLSCSKDSA-N 1 2 319.405 2.605 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000285714659 334149562 /nfs/dbraw/zinc/14/95/62/334149562.db2.gz FBYSADXWEBMLOX-BFYDXBDKSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000285714659 334149563 /nfs/dbraw/zinc/14/95/63/334149563.db2.gz FBYSADXWEBMLOX-BFYDXBDKSA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCC1(F)F ZINC000289886841 334169080 /nfs/dbraw/zinc/16/90/80/334169080.db2.gz RSDIAPBSZUSRAR-CQSZACIVSA-N 1 2 321.371 2.910 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCC1(F)F ZINC000289886841 334169082 /nfs/dbraw/zinc/16/90/82/334169082.db2.gz RSDIAPBSZUSRAR-CQSZACIVSA-N 1 2 321.371 2.910 20 30 DFEDLO COc1cccc(OC)c1OCCCC[N@H+](CC#N)C1CC1 ZINC000290292052 334172263 /nfs/dbraw/zinc/17/22/63/334172263.db2.gz MXPCJAADWXETDP-UHFFFAOYSA-N 1 2 304.390 2.851 20 30 DFEDLO COc1cccc(OC)c1OCCCC[N@@H+](CC#N)C1CC1 ZINC000290292052 334172264 /nfs/dbraw/zinc/17/22/64/334172264.db2.gz MXPCJAADWXETDP-UHFFFAOYSA-N 1 2 304.390 2.851 20 30 DFEDLO COCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCCCC1 ZINC000290593857 334173572 /nfs/dbraw/zinc/17/35/72/334173572.db2.gz QWXCMSRUJLHLHT-GIJQJNRQSA-N 1 2 306.406 2.604 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000292367846 334187340 /nfs/dbraw/zinc/18/73/40/334187340.db2.gz AMJIDSJUGTXLRL-MRXNPFEDSA-N 1 2 324.384 2.934 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551084 334189171 /nfs/dbraw/zinc/18/91/71/334189171.db2.gz YPCXJMBZWAFCOO-ATLSCFEFSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551084 334189172 /nfs/dbraw/zinc/18/91/72/334189172.db2.gz YPCXJMBZWAFCOO-ATLSCFEFSA-N 1 2 313.445 2.919 20 30 DFEDLO C[C@H](O)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292890053 334193715 /nfs/dbraw/zinc/19/37/15/334193715.db2.gz YTKYKGIRMHBBKT-BJJXKVORSA-N 1 2 313.426 2.936 20 30 DFEDLO C[C@H](O)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292890053 334193717 /nfs/dbraw/zinc/19/37/17/334193717.db2.gz YTKYKGIRMHBBKT-BJJXKVORSA-N 1 2 313.426 2.936 20 30 DFEDLO N#C[C@@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC12CCCC2 ZINC000294860165 334213626 /nfs/dbraw/zinc/21/36/26/334213626.db2.gz OGOUYKAUAPUICH-LJQANCHMSA-N 1 2 320.396 2.963 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(CC#N)cc2)CC1(C)C ZINC000296020482 334229286 /nfs/dbraw/zinc/22/92/86/334229286.db2.gz WZYRYQNTANXJBB-HNNXBMFYSA-N 1 2 308.385 2.709 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000340559778 334239555 /nfs/dbraw/zinc/23/95/55/334239555.db2.gz ASLSNSUYSIJZNZ-INIZCTEOSA-N 1 2 322.343 2.865 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000297719049 334243692 /nfs/dbraw/zinc/24/36/92/334243692.db2.gz BIOIGBRBFZBFBW-GFCCVEGCSA-N 1 2 323.799 2.929 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cn2c1 ZINC000298421875 334248746 /nfs/dbraw/zinc/24/87/46/334248746.db2.gz LIRJSADXPLELSE-KBPBESRZSA-N 1 2 311.389 2.524 20 30 DFEDLO COc1cc(C[NH+]2CCN([C@@H](C)CCC#N)CC2)cc(OC)c1 ZINC000299447528 334255419 /nfs/dbraw/zinc/25/54/19/334255419.db2.gz YVFKSTPXVKTTPC-HNNXBMFYSA-N 1 2 317.433 2.514 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000299670783 334257080 /nfs/dbraw/zinc/25/70/80/334257080.db2.gz MGCAQCXXLSMGMB-HNNXBMFYSA-N 1 2 301.390 2.633 20 30 DFEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3CC#N)[nH+]c12 ZINC000582145444 334271019 /nfs/dbraw/zinc/27/10/19/334271019.db2.gz HRLWPKIXXHXYOL-UHFFFAOYSA-N 1 2 304.353 2.890 20 30 DFEDLO CC#CC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000119902075 334292211 /nfs/dbraw/zinc/29/22/11/334292211.db2.gz LBPMJSDTUHBRJE-ZDUSSCGKSA-N 1 2 316.430 2.500 20 30 DFEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000120022886 334298283 /nfs/dbraw/zinc/29/82/83/334298283.db2.gz GJIOSJMNZJSGKB-UHFFFAOYSA-N 1 2 302.393 2.664 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000534660122 334315776 /nfs/dbraw/zinc/31/57/76/334315776.db2.gz SZSOVSAXCIAVAF-HNNXBMFYSA-N 1 2 324.465 2.607 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000534660122 334315777 /nfs/dbraw/zinc/31/57/77/334315777.db2.gz SZSOVSAXCIAVAF-HNNXBMFYSA-N 1 2 324.465 2.607 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120163164 334317753 /nfs/dbraw/zinc/31/77/53/334317753.db2.gz MZNJIVRKPFYRQZ-ZDUSSCGKSA-N 1 2 311.857 2.923 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120163164 334317754 /nfs/dbraw/zinc/31/77/54/334317754.db2.gz MZNJIVRKPFYRQZ-ZDUSSCGKSA-N 1 2 311.857 2.923 20 30 DFEDLO CC(C)(C)CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000341328146 334430518 /nfs/dbraw/zinc/43/05/18/334430518.db2.gz KFCXWDMXVVHBEC-UHFFFAOYSA-N 1 2 323.481 2.667 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000341983851 334497091 /nfs/dbraw/zinc/49/70/91/334497091.db2.gz CXUYBLPGVKSXDH-UHFFFAOYSA-N 1 2 303.337 2.719 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000341989595 334503699 /nfs/dbraw/zinc/50/36/99/334503699.db2.gz MCBXMCBILPBLSM-UHFFFAOYSA-N 1 2 310.401 2.624 20 30 DFEDLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C#N)(COC)CC1 ZINC000341991429 334503890 /nfs/dbraw/zinc/50/38/90/334503890.db2.gz NLSAFLNYHXSWGO-INIZCTEOSA-N 1 2 316.401 2.543 20 30 DFEDLO N#CC1(F)CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000343223831 334695385 /nfs/dbraw/zinc/69/53/85/334695385.db2.gz JSSGMPIVFFMIJE-UHFFFAOYSA-N 1 2 322.347 2.648 20 30 DFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000328763347 334752683 /nfs/dbraw/zinc/75/26/83/334752683.db2.gz ZLBSWKNRJQGHMF-CHWSQXEVSA-N 1 2 324.375 2.742 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cncc(OC)c1 ZINC000343949083 335207316 /nfs/dbraw/zinc/20/73/16/335207316.db2.gz WUDKLZMXLASYKX-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cncc(OC)c1 ZINC000343949083 335207317 /nfs/dbraw/zinc/20/73/17/335207317.db2.gz WUDKLZMXLASYKX-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000346242848 335388001 /nfs/dbraw/zinc/38/80/01/335388001.db2.gz JWYHXERMTFMLRF-NSHDSACASA-N 1 2 323.799 2.862 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000346242848 335388002 /nfs/dbraw/zinc/38/80/02/335388002.db2.gz JWYHXERMTFMLRF-NSHDSACASA-N 1 2 323.799 2.862 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000347694016 335521958 /nfs/dbraw/zinc/52/19/58/335521958.db2.gz SESJEIMFBCCVDB-KOLCDFICSA-N 1 2 318.377 2.656 20 30 DFEDLO C[C@H](C#N)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082502 335818954 /nfs/dbraw/zinc/81/89/54/335818954.db2.gz QCCBQGLOQSVONN-CYBMUJFWSA-N 1 2 321.384 2.883 20 30 DFEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329221545 335952633 /nfs/dbraw/zinc/95/26/33/335952633.db2.gz UZAVHHFEPJUJJP-LALPHHSUSA-N 1 2 318.421 2.936 20 30 DFEDLO CC1(C)C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C(C)(C)O1 ZINC000329263091 335957368 /nfs/dbraw/zinc/95/73/68/335957368.db2.gz ZQRNEOFKCRVVFW-STQMWFEESA-N 1 2 320.437 2.610 20 30 DFEDLO CC(C)[C@@H]1CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329338555 335965647 /nfs/dbraw/zinc/96/56/47/335965647.db2.gz NDXVSFALGQTTEK-GJZGRUSLSA-N 1 2 320.437 2.532 20 30 DFEDLO O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329345935 335966682 /nfs/dbraw/zinc/96/66/82/335966682.db2.gz RDWLYIUNHHESSW-BBWFWOEESA-N 1 2 311.385 2.804 20 30 DFEDLO [O-]C(N[C@@H]1CSc2ccccc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329608292 336004850 /nfs/dbraw/zinc/00/48/50/336004850.db2.gz NAZMGWKCCVFEIO-QMTHXVAHSA-N 1 2 314.414 2.618 20 30 DFEDLO [O-]C(N[C@@H]1CSc2ccccc21)=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329608292 336004852 /nfs/dbraw/zinc/00/48/52/336004852.db2.gz NAZMGWKCCVFEIO-QMTHXVAHSA-N 1 2 314.414 2.618 20 30 DFEDLO CC[C@@H]1C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)CC(=O)N1 ZINC000329650987 336028350 /nfs/dbraw/zinc/02/83/50/336028350.db2.gz CPOPQVGJVBQUJC-CHWSQXEVSA-N 1 2 300.362 2.936 20 30 DFEDLO O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CCCCS1 ZINC000329655057 336028921 /nfs/dbraw/zinc/02/89/21/336028921.db2.gz MCIGXKSBURONKX-CQSZACIVSA-N 1 2 318.446 2.666 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000192352008 336029739 /nfs/dbraw/zinc/02/97/39/336029739.db2.gz MBBKAWLKEVVPDF-LSDHHAIUSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192352008 336029740 /nfs/dbraw/zinc/02/97/40/336029740.db2.gz MBBKAWLKEVVPDF-LSDHHAIUSA-N 1 2 304.438 2.985 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1c1ccccc1 ZINC000329703292 336060794 /nfs/dbraw/zinc/06/07/94/336060794.db2.gz IFMIMGSWQCYEOT-SUYBPPKGSA-N 1 2 310.401 2.874 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1c1ccccc1 ZINC000329703292 336060796 /nfs/dbraw/zinc/06/07/96/336060796.db2.gz IFMIMGSWQCYEOT-SUYBPPKGSA-N 1 2 310.401 2.874 20 30 DFEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329709222 336061717 /nfs/dbraw/zinc/06/17/17/336061717.db2.gz LLIBKZIYGYYPBO-HOTGVXAUSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329709222 336061718 /nfs/dbraw/zinc/06/17/18/336061718.db2.gz LLIBKZIYGYYPBO-HOTGVXAUSA-N 1 2 324.384 2.728 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCC=C(F)C1)C2 ZINC000329729462 336071249 /nfs/dbraw/zinc/07/12/49/336071249.db2.gz HOXCKKRIGZMWPX-CYBMUJFWSA-N 1 2 320.412 2.969 20 30 DFEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCCCS1 ZINC000329730698 336074987 /nfs/dbraw/zinc/07/49/87/336074987.db2.gz GIBDTHMDTRDZGE-CYBMUJFWSA-N 1 2 304.419 2.624 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000329742498 336076244 /nfs/dbraw/zinc/07/62/44/336076244.db2.gz WODUYCWOHBGVGD-KBPBESRZSA-N 1 2 316.405 2.721 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000329742498 336076245 /nfs/dbraw/zinc/07/62/45/336076245.db2.gz WODUYCWOHBGVGD-KBPBESRZSA-N 1 2 316.405 2.721 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 ZINC000329770022 336079696 /nfs/dbraw/zinc/07/96/96/336079696.db2.gz FRWFWFRVUMNBDN-DGCLKSJQSA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 ZINC000329770022 336079698 /nfs/dbraw/zinc/07/96/98/336079698.db2.gz FRWFWFRVUMNBDN-DGCLKSJQSA-N 1 2 309.435 2.929 20 30 DFEDLO C[C@@H]1CC(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H](C)O1 ZINC000329796737 336082782 /nfs/dbraw/zinc/08/27/82/336082782.db2.gz DZXHOPPOKZMOBM-CHWSQXEVSA-N 1 2 320.437 2.707 20 30 DFEDLO CC1(C)[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000329799461 336083262 /nfs/dbraw/zinc/08/32/62/336083262.db2.gz HMXIVKDPIATABS-IYBDPMFKSA-N 1 2 310.401 2.874 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC12CCC2 ZINC000329892299 336092815 /nfs/dbraw/zinc/09/28/15/336092815.db2.gz ADPKDJDDHZGROI-CABCVRRESA-N 1 2 316.449 2.872 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000329894754 336093085 /nfs/dbraw/zinc/09/30/85/336093085.db2.gz BPJWFJILNUGXTQ-KKUMJFAQSA-N 1 2 302.422 2.624 20 30 DFEDLO CCN1CCN(C(=O)N[C@H](C)CCC2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329955594 336099474 /nfs/dbraw/zinc/09/94/74/336099474.db2.gz KUIWAPNJCGYGSY-UKRRQHHQSA-N 1 2 319.453 2.581 20 30 DFEDLO CCN1CCN(C(=O)Nc2ccccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330061883 336110468 /nfs/dbraw/zinc/11/04/68/336110468.db2.gz OQXOPVBTYIZXKV-OAHLLOKOSA-N 1 2 313.405 2.642 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330114178 336114655 /nfs/dbraw/zinc/11/46/55/336114655.db2.gz DORUWZOCKYRVBY-UKRRQHHQSA-N 1 2 305.422 2.669 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330114178 336114656 /nfs/dbraw/zinc/11/46/56/336114656.db2.gz DORUWZOCKYRVBY-UKRRQHHQSA-N 1 2 305.422 2.669 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330143393 336117595 /nfs/dbraw/zinc/11/75/95/336117595.db2.gz RBRVESYJUUYIGX-MEDUHNTESA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330143393 336117599 /nfs/dbraw/zinc/11/75/99/336117599.db2.gz RBRVESYJUUYIGX-MEDUHNTESA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330146806 336117940 /nfs/dbraw/zinc/11/79/40/336117940.db2.gz IDMXVJBOBHNZGM-IWVPMKNESA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330146806 336117942 /nfs/dbraw/zinc/11/79/42/336117942.db2.gz IDMXVJBOBHNZGM-IWVPMKNESA-N 1 2 324.465 2.790 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330201120 336123434 /nfs/dbraw/zinc/12/34/34/336123434.db2.gz XHYGRTTYYWVPND-GJZGRUSLSA-N 1 2 304.438 2.870 20 30 DFEDLO CCC1(CC)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330201026 336123489 /nfs/dbraw/zinc/12/34/89/336123489.db2.gz XEPFRJQMEDKYTF-ZDUSSCGKSA-N 1 2 322.478 2.720 20 30 DFEDLO CCC1(CC)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330201026 336123490 /nfs/dbraw/zinc/12/34/90/336123490.db2.gz XEPFRJQMEDKYTF-ZDUSSCGKSA-N 1 2 322.478 2.720 20 30 DFEDLO Cc1cccc2c1OC[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC000330233269 336127793 /nfs/dbraw/zinc/12/77/93/336127793.db2.gz FXZJYVHGXABBPK-LSDHHAIUSA-N 1 2 311.385 2.714 20 30 DFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2Cl ZINC000330275086 336132488 /nfs/dbraw/zinc/13/24/88/336132488.db2.gz LARULOPIWWKVQK-NSHDSACASA-N 1 2 316.792 2.828 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1nc2ccccc2s1 ZINC000331504870 336138366 /nfs/dbraw/zinc/13/83/66/336138366.db2.gz QJODRSLTVKJGDE-SDDRHHMPSA-N 1 2 314.414 2.905 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC2(O)CCCCC2)CCO1 ZINC000330321039 336157797 /nfs/dbraw/zinc/15/77/97/336157797.db2.gz FQWYXRIRJADYTP-HIFRSBDPSA-N 1 2 321.421 2.682 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CCCCCC2)CCO1 ZINC000330328035 336158632 /nfs/dbraw/zinc/15/86/32/336158632.db2.gz LJNWLCAEFUHGFA-HOCLYGCPSA-N 1 2 320.437 2.867 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)COC2CCCC2)CCO1 ZINC000330337989 336168499 /nfs/dbraw/zinc/16/84/99/336168499.db2.gz USTQJDHNLOYDNJ-WFASDCNBSA-N 1 2 307.394 2.556 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000351960642 336183367 /nfs/dbraw/zinc/18/33/67/336183367.db2.gz VQXNNIPASLRWRU-LLVKDONJSA-N 1 2 323.234 2.670 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000351960642 336183369 /nfs/dbraw/zinc/18/33/69/336183369.db2.gz VQXNNIPASLRWRU-LLVKDONJSA-N 1 2 323.234 2.670 20 30 DFEDLO C[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000333577741 336206249 /nfs/dbraw/zinc/20/62/49/336206249.db2.gz QTVOREUNNLWREM-RVKKMQEKSA-N 1 2 312.417 2.767 20 30 DFEDLO C=CCC(C)(C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352509167 336222324 /nfs/dbraw/zinc/22/23/24/336222324.db2.gz JOTFUMGWLIHCDD-UHFFFAOYSA-N 1 2 316.445 2.851 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCCC1 ZINC000352792137 336237012 /nfs/dbraw/zinc/23/70/12/336237012.db2.gz KSFWLFNKDOHRDM-OAHLLOKOSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCCCC1 ZINC000352792137 336237013 /nfs/dbraw/zinc/23/70/13/336237013.db2.gz KSFWLFNKDOHRDM-OAHLLOKOSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC(C)C ZINC000352803666 336240045 /nfs/dbraw/zinc/24/00/45/336240045.db2.gz ZAKFHTSHSUCOJU-HNNXBMFYSA-N 1 2 322.449 2.701 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC(C)C ZINC000352803666 336240046 /nfs/dbraw/zinc/24/00/46/336240046.db2.gz ZAKFHTSHSUCOJU-HNNXBMFYSA-N 1 2 322.449 2.701 20 30 DFEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccncc1 ZINC000193060545 336313846 /nfs/dbraw/zinc/31/38/46/336313846.db2.gz CBPAXLHNHKEULO-UHFFFAOYSA-N 1 2 324.413 2.796 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC1CC1 ZINC000352899328 336375201 /nfs/dbraw/zinc/37/52/01/336375201.db2.gz CJIHBJYFNUWVRK-CQSZACIVSA-N 1 2 304.438 2.509 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC1CC1 ZINC000352899328 336375202 /nfs/dbraw/zinc/37/52/02/336375202.db2.gz CJIHBJYFNUWVRK-CQSZACIVSA-N 1 2 304.438 2.509 20 30 DFEDLO Cc1cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)c[nH+]1 ZINC000583676373 336395151 /nfs/dbraw/zinc/39/51/51/336395151.db2.gz KKRLLEHHJUTDSE-SJORKVTESA-N 1 2 320.396 2.891 20 30 DFEDLO C=C(CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000354347647 336467715 /nfs/dbraw/zinc/46/77/15/336467715.db2.gz ZFJQAXGVIWLUJY-UHFFFAOYSA-N 1 2 306.369 2.847 20 30 DFEDLO C=C(C)COCCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357485397 336587173 /nfs/dbraw/zinc/58/71/73/336587173.db2.gz MWIBJKGSNUQYJI-UHFFFAOYSA-N 1 2 304.365 2.947 20 30 DFEDLO C=CCOc1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1OC ZINC000361649281 336767179 /nfs/dbraw/zinc/76/71/79/336767179.db2.gz ZJHKBFMWBSMPPL-ZIAGYGMSSA-N 1 2 323.458 2.601 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000369505686 336866214 /nfs/dbraw/zinc/86/62/14/336866214.db2.gz ZMLQZHUWRLFUMF-CABCVRRESA-N 1 2 314.433 2.520 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000373579422 336965876 /nfs/dbraw/zinc/96/58/76/336965876.db2.gz UAEDGHJXGJRTIH-OAHLLOKOSA-N 1 2 322.412 2.851 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000374376849 336988516 /nfs/dbraw/zinc/98/85/16/336988516.db2.gz HDGPRJJXXSOCPA-KRWDZBQOSA-N 1 2 314.429 2.937 20 30 DFEDLO C=CCCCCNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000375231058 337006209 /nfs/dbraw/zinc/00/62/09/337006209.db2.gz XPAFUEJNOJUELD-UHFFFAOYSA-N 1 2 322.478 2.763 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000305089383 337013104 /nfs/dbraw/zinc/01/31/04/337013104.db2.gz ZUNVEFUTWRFZMU-GHMZBOCLSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000305089383 337013105 /nfs/dbraw/zinc/01/31/05/337013105.db2.gz ZUNVEFUTWRFZMU-GHMZBOCLSA-N 1 2 317.216 2.967 20 30 DFEDLO Cn1c[nH+]c2c1CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2 ZINC000376233250 337029796 /nfs/dbraw/zinc/02/97/96/337029796.db2.gz SFYDRBZSSDAUPQ-UHFFFAOYSA-N 1 2 323.400 2.811 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000376304562 337030966 /nfs/dbraw/zinc/03/09/66/337030966.db2.gz OLTKNZYDUYFSGO-OAHLLOKOSA-N 1 2 320.437 2.813 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377027689 337045688 /nfs/dbraw/zinc/04/56/88/337045688.db2.gz ATMLLGFWRAKGEV-UHFFFAOYSA-N 1 2 303.410 2.629 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377027689 337045689 /nfs/dbraw/zinc/04/56/89/337045689.db2.gz ATMLLGFWRAKGEV-UHFFFAOYSA-N 1 2 303.410 2.629 20 30 DFEDLO C=CCCCCCCNC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377040353 337045844 /nfs/dbraw/zinc/04/58/44/337045844.db2.gz CAKPPKQNMWFDAG-OAHLLOKOSA-N 1 2 319.453 2.544 20 30 DFEDLO C=C[C@H](CC(=O)Nc1c[nH+]ccc1-n1ccnn1)c1ccccc1 ZINC000377443140 337052751 /nfs/dbraw/zinc/05/27/51/337052751.db2.gz RAQVHYBVWFJRTB-CQSZACIVSA-N 1 2 319.368 2.961 20 30 DFEDLO Cc1cc(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)c(C)c[nH+]1 ZINC000378465009 337073477 /nfs/dbraw/zinc/07/34/77/337073477.db2.gz WNXFDPRZRFLCJU-IBGZPJMESA-N 1 2 305.381 2.758 20 30 DFEDLO CCSCc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514669074 337149686 /nfs/dbraw/zinc/14/96/86/337149686.db2.gz XGMKMGXMZCFQHM-MRXNPFEDSA-N 1 2 307.463 2.558 20 30 DFEDLO CCSCc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000514669074 337149685 /nfs/dbraw/zinc/14/96/85/337149685.db2.gz XGMKMGXMZCFQHM-MRXNPFEDSA-N 1 2 307.463 2.558 20 30 DFEDLO C=C(C)CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180779692 337177846 /nfs/dbraw/zinc/17/78/46/337177846.db2.gz YHPKFEJBTNIYDR-UHFFFAOYSA-N 1 2 302.353 2.729 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000191139925 337294581 /nfs/dbraw/zinc/29/45/81/337294581.db2.gz UWAZCAVURSENMU-UHFFFAOYSA-N 1 2 317.389 2.688 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000191139925 337294582 /nfs/dbraw/zinc/29/45/82/337294582.db2.gz UWAZCAVURSENMU-UHFFFAOYSA-N 1 2 317.389 2.688 20 30 DFEDLO CN(C(=O)C[N@H+](C)CCC(F)(F)F)C1(C#N)CCCCC1 ZINC000064635224 337307303 /nfs/dbraw/zinc/30/73/03/337307303.db2.gz RPJGQSSOWBFFPR-UHFFFAOYSA-N 1 2 305.344 2.555 20 30 DFEDLO CN(C(=O)C[N@@H+](C)CCC(F)(F)F)C1(C#N)CCCCC1 ZINC000064635224 337307304 /nfs/dbraw/zinc/30/73/04/337307304.db2.gz RPJGQSSOWBFFPR-UHFFFAOYSA-N 1 2 305.344 2.555 20 30 DFEDLO CCSCc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000584473177 337345813 /nfs/dbraw/zinc/34/58/13/337345813.db2.gz SJWCCNAAQBLBPS-INIZCTEOSA-N 1 2 305.447 2.513 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000584478042 337348054 /nfs/dbraw/zinc/34/80/54/337348054.db2.gz FOUIPJJUXYACSV-MRXNPFEDSA-N 1 2 312.417 2.832 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000584665767 337380726 /nfs/dbraw/zinc/38/07/26/337380726.db2.gz ZHBGZVLIHDFAIK-AEGPPILISA-N 1 2 309.793 2.735 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019605 337423550 /nfs/dbraw/zinc/42/35/50/337423550.db2.gz BVODRLVTFYCPMK-UHFFFAOYSA-N 1 2 310.401 2.815 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078316611 337595907 /nfs/dbraw/zinc/59/59/07/337595907.db2.gz FSJXLARWZAZMAD-UHFFFAOYSA-N 1 2 309.753 2.861 20 30 DFEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000424731322 337956109 /nfs/dbraw/zinc/95/61/09/337956109.db2.gz DKXAVFSBPUSPFT-UHFFFAOYSA-N 1 2 303.406 2.767 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000516310801 338009434 /nfs/dbraw/zinc/00/94/34/338009434.db2.gz NXYJKYPVTRZHCX-HIFRSBDPSA-N 1 2 303.381 2.911 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)[C@H]2CC)cc1 ZINC000428449287 338052222 /nfs/dbraw/zinc/05/22/22/338052222.db2.gz SZLRIRHJOMWMAS-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)C(=O)[C@H]2CC)cc1 ZINC000428449287 338052223 /nfs/dbraw/zinc/05/22/23/338052223.db2.gz SZLRIRHJOMWMAS-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000428952534 338066450 /nfs/dbraw/zinc/06/64/50/338066450.db2.gz CWTADRYJXZIHSQ-HUUCEWRRSA-N 1 2 317.437 2.559 20 30 DFEDLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296845 338189967 /nfs/dbraw/zinc/18/99/67/338189967.db2.gz UGBBCJNTDNJDFC-ZIAGYGMSSA-N 1 2 317.433 2.742 20 30 DFEDLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296845 338189968 /nfs/dbraw/zinc/18/99/68/338189968.db2.gz UGBBCJNTDNJDFC-ZIAGYGMSSA-N 1 2 317.433 2.742 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433298422 338190110 /nfs/dbraw/zinc/19/01/10/338190110.db2.gz OQMRIULSZHTPAD-LBPRGKRZSA-N 1 2 307.825 2.826 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433298422 338190111 /nfs/dbraw/zinc/19/01/11/338190111.db2.gz OQMRIULSZHTPAD-LBPRGKRZSA-N 1 2 307.825 2.826 20 30 DFEDLO CCCOc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433299447 338190308 /nfs/dbraw/zinc/19/03/08/338190308.db2.gz QPBONWNXOWSLRC-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO CCCOc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433299447 338190309 /nfs/dbraw/zinc/19/03/09/338190309.db2.gz QPBONWNXOWSLRC-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433311144 338191454 /nfs/dbraw/zinc/19/14/54/338191454.db2.gz GEQVFSZNYCNXSI-HUUCEWRRSA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433311144 338191455 /nfs/dbraw/zinc/19/14/55/338191455.db2.gz GEQVFSZNYCNXSI-HUUCEWRRSA-N 1 2 301.434 2.776 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434618232 338221293 /nfs/dbraw/zinc/22/12/93/338221293.db2.gz YNEWURCHGPQKMK-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434618232 338221294 /nfs/dbraw/zinc/22/12/94/338221294.db2.gz YNEWURCHGPQKMK-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000435600699 338243300 /nfs/dbraw/zinc/24/33/00/338243300.db2.gz FKFGQPOUTFZHBW-DLBZAZTESA-N 1 2 324.428 2.970 20 30 DFEDLO C[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436020140 338256067 /nfs/dbraw/zinc/25/60/67/338256067.db2.gz PRCRGIWYGFJJQY-CYBMUJFWSA-N 1 2 316.792 2.725 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437465088 338311047 /nfs/dbraw/zinc/31/10/47/338311047.db2.gz DMZVGWGERCWUSB-DOTOQJQBSA-N 1 2 311.385 2.583 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000439003765 338358168 /nfs/dbraw/zinc/35/81/68/338358168.db2.gz OCCJGYOFBKQSKP-INIZCTEOSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000439003765 338358169 /nfs/dbraw/zinc/35/81/69/338358169.db2.gz OCCJGYOFBKQSKP-INIZCTEOSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000439003765 338358170 /nfs/dbraw/zinc/35/81/70/338358170.db2.gz OCCJGYOFBKQSKP-INIZCTEOSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442830401 338433728 /nfs/dbraw/zinc/43/37/28/338433728.db2.gz SGBXAZWXKJBJMV-KSSFIOAISA-N 1 2 324.465 2.511 20 30 DFEDLO Cc1ccc2oc(N3CC[NH+](CC4(C#N)CCC4)CC3)nc2c1 ZINC000450364734 338680080 /nfs/dbraw/zinc/68/00/80/338680080.db2.gz NUHSSPJEZGGLKH-UHFFFAOYSA-N 1 2 310.401 2.952 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCCCC1 ZINC000451820577 338745011 /nfs/dbraw/zinc/74/50/11/338745011.db2.gz DXDXUBUVYNGAIU-IAGOWNOFSA-N 1 2 320.477 2.835 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)c2cccc(CC#N)c2)n1 ZINC000457301832 338958668 /nfs/dbraw/zinc/95/86/68/338958668.db2.gz YYMUQKVBRNYJNP-UHFFFAOYSA-N 1 2 300.387 2.523 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)CC#N ZINC000459227433 339016845 /nfs/dbraw/zinc/01/68/45/339016845.db2.gz BIIPDQMNZMYRNT-UHFFFAOYSA-N 1 2 319.453 2.807 20 30 DFEDLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(OC)cc1 ZINC000459463326 339030539 /nfs/dbraw/zinc/03/05/39/339030539.db2.gz KZFJCORGTRJJMR-KCXAZCMYSA-N 1 2 301.390 2.694 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1C ZINC000459467468 339030890 /nfs/dbraw/zinc/03/08/90/339030890.db2.gz PRUXDWGBKQUKQP-DLBZAZTESA-N 1 2 324.428 2.832 20 30 DFEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000467103547 339226443 /nfs/dbraw/zinc/22/64/43/339226443.db2.gz WDCOBMBQXSZLMV-UHFFFAOYSA-N 1 2 321.852 2.916 20 30 DFEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000467103547 339226444 /nfs/dbraw/zinc/22/64/44/339226444.db2.gz WDCOBMBQXSZLMV-UHFFFAOYSA-N 1 2 321.852 2.916 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000469702178 339295796 /nfs/dbraw/zinc/29/57/96/339295796.db2.gz IPLGRFKQIAWKCP-KRWDZBQOSA-N 1 2 303.377 2.983 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000469702178 339295797 /nfs/dbraw/zinc/29/57/97/339295797.db2.gz IPLGRFKQIAWKCP-KRWDZBQOSA-N 1 2 303.377 2.983 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000488960494 339798242 /nfs/dbraw/zinc/79/82/42/339798242.db2.gz LFUNIOVQGMIXBX-INIZCTEOSA-N 1 2 324.428 2.588 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000491733104 339876918 /nfs/dbraw/zinc/87/69/18/339876918.db2.gz IAAQXQXHKYPGAP-DZGCQCFKSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000491804133 339882929 /nfs/dbraw/zinc/88/29/29/339882929.db2.gz KJEZBLWFSVLUNG-UONOGXRCSA-N 1 2 316.449 2.597 20 30 DFEDLO C#CCOc1ccc(F)cc1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492320004 339897555 /nfs/dbraw/zinc/89/75/55/339897555.db2.gz NXEQYDPTKAVDNR-FPLPWBNLSA-N 1 2 313.332 2.706 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000492411311 339899926 /nfs/dbraw/zinc/89/99/26/339899926.db2.gz SUQPPNJVNYXTDZ-NPQIQWPPSA-N 1 2 314.776 2.951 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000492411306 339899931 /nfs/dbraw/zinc/89/99/31/339899931.db2.gz SUQPPNJVNYXTDZ-DANTVBBOSA-N 1 2 314.776 2.951 20 30 DFEDLO CC(C)(C)[C@H](C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493328111 339923124 /nfs/dbraw/zinc/92/31/24/339923124.db2.gz VLJAOOKQRFAHEX-HWYHOQROSA-N 1 2 308.385 2.940 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000494232488 339944164 /nfs/dbraw/zinc/94/41/64/339944164.db2.gz ASBQQBLSYQGFNO-INIZCTEOSA-N 1 2 314.433 2.932 20 30 DFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(F)F ZINC000495960070 339995581 /nfs/dbraw/zinc/99/55/81/339995581.db2.gz DVSRKPZVRMSLPL-WOPDTQHZSA-N 1 2 317.380 2.817 20 30 DFEDLO N#CCC1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000543791660 341058958 /nfs/dbraw/zinc/05/89/58/341058958.db2.gz RIIXDAHOHKEFKH-UHFFFAOYSA-N 1 2 318.384 2.946 20 30 DFEDLO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000543810846 341060275 /nfs/dbraw/zinc/06/02/75/341060275.db2.gz KZDNBNXTERKEBS-ZDUSSCGKSA-N 1 2 306.410 2.929 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000544354771 341077873 /nfs/dbraw/zinc/07/78/73/341077873.db2.gz PFOFRDOHLWLDPU-MRXNPFEDSA-N 1 2 316.449 2.966 20 30 DFEDLO C[C@@](C#N)(NC(=O)Cc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000550748941 341322485 /nfs/dbraw/zinc/32/24/85/341322485.db2.gz YXOQJXFJEDIVOI-SFHVURJKSA-N 1 2 310.401 2.856 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000566429461 341557969 /nfs/dbraw/zinc/55/79/69/341557969.db2.gz VQYIBSSYERJPRG-NSHDSACASA-N 1 2 302.403 2.825 20 30 DFEDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000273124586 341633418 /nfs/dbraw/zinc/63/34/18/341633418.db2.gz HUZWIOSXEOXCCQ-NSHDSACASA-N 1 2 302.403 2.854 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000568181206 341656994 /nfs/dbraw/zinc/65/69/94/341656994.db2.gz NMGHLKWCWCXDBJ-NSHDSACASA-N 1 2 302.403 2.541 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000156684849 526726124 /nfs/dbraw/zinc/72/61/24/526726124.db2.gz HXMJRRGEITWGLL-GOSISDBHSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000156684849 526726130 /nfs/dbraw/zinc/72/61/30/526726130.db2.gz HXMJRRGEITWGLL-GOSISDBHSA-N 1 2 312.369 2.994 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000364829283 527456676 /nfs/dbraw/zinc/45/66/76/527456676.db2.gz JAKDBQPSZIJKIN-CQSZACIVSA-N 1 2 309.373 2.703 20 30 DFEDLO CC[N@H+](Cc1ncnn1CC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000362918459 535393625 /nfs/dbraw/zinc/39/36/25/535393625.db2.gz NLFABTXJMICTKH-LBPRGKRZSA-N 1 2 319.359 2.998 20 30 DFEDLO CC[N@@H+](Cc1ncnn1CC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000362918459 535393629 /nfs/dbraw/zinc/39/36/29/535393629.db2.gz NLFABTXJMICTKH-LBPRGKRZSA-N 1 2 319.359 2.998 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361483329 536153876 /nfs/dbraw/zinc/15/38/76/536153876.db2.gz DGVGQDCYTHMOTO-RDJZCZTQSA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361483329 536153877 /nfs/dbraw/zinc/15/38/77/536153877.db2.gz DGVGQDCYTHMOTO-RDJZCZTQSA-N 1 2 320.820 2.982 20 30 DFEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000361737772 536601564 /nfs/dbraw/zinc/60/15/64/536601564.db2.gz ZXQVQHMDOHHAIT-UHFFFAOYSA-N 1 2 315.348 2.621 20 30 DFEDLO O[C@H](C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866553 545555550 /nfs/dbraw/zinc/55/55/50/545555550.db2.gz RJBSJQCIHVRICM-HSUXUTPPSA-N 1 2 319.167 2.582 20 30 DFEDLO C=CCSc1ccccc1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000681595032 545677771 /nfs/dbraw/zinc/67/77/71/545677771.db2.gz JZNMSHAFORVSDW-UHFFFAOYSA-N 1 2 313.426 2.897 20 30 DFEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@H]1CCc2ccccc21 ZINC000819701382 607442024 /nfs/dbraw/zinc/44/20/24/607442024.db2.gz FDWZIDBDTPJOJH-INIZCTEOSA-N 1 2 319.368 2.582 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@H]1CCc2ccccc21 ZINC000819701382 607442027 /nfs/dbraw/zinc/44/20/27/607442027.db2.gz FDWZIDBDTPJOJH-INIZCTEOSA-N 1 2 319.368 2.582 20 30 DFEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc2ccccc12 ZINC000324818718 231225771 /nfs/dbraw/zinc/22/57/71/231225771.db2.gz RMBPAEABZMCVJO-UHFFFAOYSA-N 1 2 315.380 2.828 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000007017699 398358063 /nfs/dbraw/zinc/35/80/63/398358063.db2.gz PIBYKZVUTTUOPG-MRXNPFEDSA-N 1 2 307.825 2.826 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000007017699 398358066 /nfs/dbraw/zinc/35/80/66/398358066.db2.gz PIBYKZVUTTUOPG-MRXNPFEDSA-N 1 2 307.825 2.826 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000081624083 398363405 /nfs/dbraw/zinc/36/34/05/398363405.db2.gz UXGMPHNBAZRBNF-UHFFFAOYSA-N 1 2 311.212 2.775 20 30 DFEDLO CCc1ccc([C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566740061 398367974 /nfs/dbraw/zinc/36/79/74/398367974.db2.gz FMSQPPVDGZLHCY-RDTXWAMCSA-N 1 2 301.434 2.703 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000578415756 398372863 /nfs/dbraw/zinc/37/28/63/398372863.db2.gz GOKBWTZAPXLXAA-CYBMUJFWSA-N 1 2 312.348 2.531 20 30 DFEDLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578776215 398375803 /nfs/dbraw/zinc/37/58/03/398375803.db2.gz YYQSZOYOESDXEP-SPYBWZPUSA-N 1 2 313.445 2.936 20 30 DFEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592073106 398379927 /nfs/dbraw/zinc/37/99/27/398379927.db2.gz BAYAKJMIANKJGJ-UHFFFAOYSA-N 1 2 323.396 2.909 20 30 DFEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592073106 398379931 /nfs/dbraw/zinc/37/99/31/398379931.db2.gz BAYAKJMIANKJGJ-UHFFFAOYSA-N 1 2 323.396 2.909 20 30 DFEDLO N#Cc1cnccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000592088128 398381576 /nfs/dbraw/zinc/38/15/76/398381576.db2.gz VSMSMMXGZVGTKV-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cnccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000592088128 398381577 /nfs/dbraw/zinc/38/15/77/398381577.db2.gz VSMSMMXGZVGTKV-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO N#CC[C@@H]1CCCN(c2cc(N3CCC[C@@H](CC#N)C3)[nH+]cn2)C1 ZINC000596327743 398387033 /nfs/dbraw/zinc/38/70/33/398387033.db2.gz BJKOHCTUTPTXCW-HOTGVXAUSA-N 1 2 324.432 2.737 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134770 398389545 /nfs/dbraw/zinc/38/95/45/398389545.db2.gz JQHXZFSSPSIQTI-AAEUAGOBSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134770 398389548 /nfs/dbraw/zinc/38/95/48/398389548.db2.gz JQHXZFSSPSIQTI-AAEUAGOBSA-N 1 2 321.446 2.814 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccs4)C3)n2c1 ZINC000092593894 185327920 /nfs/dbraw/zinc/32/79/20/185327920.db2.gz GGJWJMUGLJWXTK-HNNXBMFYSA-N 1 2 324.409 2.841 20 30 DFEDLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)o1 ZINC000592146561 398391768 /nfs/dbraw/zinc/39/17/68/398391768.db2.gz JJTNIUHQFDQVHJ-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)o1 ZINC000592146561 398391770 /nfs/dbraw/zinc/39/17/70/398391770.db2.gz JJTNIUHQFDQVHJ-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)ccc1Br ZINC000592152794 398392456 /nfs/dbraw/zinc/39/24/56/398392456.db2.gz DIZPDDXORZWHQY-AWEZNQCLSA-N 1 2 309.207 2.608 20 30 DFEDLO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)ccc1Br ZINC000592152794 398392458 /nfs/dbraw/zinc/39/24/58/398392458.db2.gz DIZPDDXORZWHQY-AWEZNQCLSA-N 1 2 309.207 2.608 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789653 185341210 /nfs/dbraw/zinc/34/12/10/185341210.db2.gz XFBYQGQVOSXTLH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000092789653 185341211 /nfs/dbraw/zinc/34/12/11/185341211.db2.gz XFBYQGQVOSXTLH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO Cn1c2ccccc2[nH+]c1N1CCN(c2ccsc2C#N)CC1 ZINC000596353205 398393028 /nfs/dbraw/zinc/39/30/28/398393028.db2.gz UBLYYTVRCGCHGK-UHFFFAOYSA-N 1 2 323.425 2.833 20 30 DFEDLO N#Cc1c(NCc2ccc[nH+]c2N2CCCC2)nc2ccccn21 ZINC000596356109 398393903 /nfs/dbraw/zinc/39/39/03/398393903.db2.gz FJXBLOJANSEZDV-UHFFFAOYSA-N 1 2 318.384 2.813 20 30 DFEDLO CC(C)COC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000181450001 199299054 /nfs/dbraw/zinc/29/90/54/199299054.db2.gz XYQMUDAJCHFDLU-UHFFFAOYSA-N 1 2 316.401 2.601 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000066866435 398403408 /nfs/dbraw/zinc/40/34/08/398403408.db2.gz VTDGMPCXWKVBAI-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO Cc1cc(NC[C@H](OC2CCCC2)C(F)(F)F)c(C#N)c[nH+]1 ZINC000596417014 398408484 /nfs/dbraw/zinc/40/84/84/398408484.db2.gz WIEVJOOPSWCHCZ-AWEZNQCLSA-N 1 2 313.323 2.986 20 30 DFEDLO N#Cc1cccc(NC(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000596439271 398412351 /nfs/dbraw/zinc/41/23/51/398412351.db2.gz AGLMSWBGFJNPAE-UHFFFAOYSA-N 1 2 322.359 2.657 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228570 398423846 /nfs/dbraw/zinc/42/38/46/398423846.db2.gz MPYSHRQRYWDENY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228570 398423847 /nfs/dbraw/zinc/42/38/47/398423847.db2.gz MPYSHRQRYWDENY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO COc1ncncc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000592504574 398436368 /nfs/dbraw/zinc/43/63/68/398436368.db2.gz IUJHQSOKIUGHQJ-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ncncc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000592504574 398436369 /nfs/dbraw/zinc/43/63/69/398436369.db2.gz IUJHQSOKIUGHQJ-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO C#CCNC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000026262548 398451877 /nfs/dbraw/zinc/45/18/77/398451877.db2.gz YQEQZUXBCJKURF-UHFFFAOYSA-N 1 2 321.405 2.990 20 30 DFEDLO N#CCc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000089486305 398455786 /nfs/dbraw/zinc/45/57/86/398455786.db2.gz MHAXVUWPLRYONL-UHFFFAOYSA-N 1 2 316.364 2.868 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000586775243 398456928 /nfs/dbraw/zinc/45/69/28/398456928.db2.gz OSNZXGYPRDHMPS-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000586775243 398456930 /nfs/dbraw/zinc/45/69/30/398456930.db2.gz OSNZXGYPRDHMPS-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000596657780 398473562 /nfs/dbraw/zinc/47/35/62/398473562.db2.gz UIWUORHLORBNFH-QRVBRYPASA-N 1 2 323.440 2.639 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1F ZINC000028690752 398475304 /nfs/dbraw/zinc/47/53/04/398475304.db2.gz JQJWASPTSSKTED-CJNGLKHVSA-N 1 2 311.364 2.682 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC=C(c2ccco2)C1 ZINC000588063738 398479556 /nfs/dbraw/zinc/47/95/56/398479556.db2.gz YPPUKPGHKBLMRE-UHFFFAOYSA-N 1 2 320.356 2.627 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000588247176 398491514 /nfs/dbraw/zinc/49/15/14/398491514.db2.gz MHCRKSMISPJBSJ-UHFFFAOYSA-N 1 2 324.428 2.677 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029951419 398493791 /nfs/dbraw/zinc/49/37/91/398493791.db2.gz AQHXUSXHKNSAQR-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO N#CCCCCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000588342601 398495163 /nfs/dbraw/zinc/49/51/63/398495163.db2.gz NLSRKOBNZLXENB-UHFFFAOYSA-N 1 2 320.462 2.651 20 30 DFEDLO N#CCCCCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000588342601 398495165 /nfs/dbraw/zinc/49/51/65/398495165.db2.gz NLSRKOBNZLXENB-UHFFFAOYSA-N 1 2 320.462 2.651 20 30 DFEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1 ZINC000091064955 398506941 /nfs/dbraw/zinc/50/69/41/398506941.db2.gz BYABITYPCSHPGN-UHFFFAOYSA-N 1 2 322.412 2.774 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H](C)O)C(C)C)c1C#N ZINC000091068879 398506972 /nfs/dbraw/zinc/50/69/72/398506972.db2.gz AJMNASQTHLCJHH-AWEZNQCLSA-N 1 2 312.417 2.644 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H](C)O)C(C)C)c1C#N ZINC000091068879 398506976 /nfs/dbraw/zinc/50/69/76/398506976.db2.gz AJMNASQTHLCJHH-AWEZNQCLSA-N 1 2 312.417 2.644 20 30 DFEDLO C[C@H](CC#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000596820439 398507509 /nfs/dbraw/zinc/50/75/09/398507509.db2.gz QHAPXOZMMGNIII-CQSZACIVSA-N 1 2 300.406 2.628 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCOCC2CC2)c1C#N ZINC000091072030 398508190 /nfs/dbraw/zinc/50/81/90/398508190.db2.gz AKJZIBLPZWPHFI-UHFFFAOYSA-N 1 2 324.428 2.911 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCOCC2CC2)c1C#N ZINC000091072030 398508193 /nfs/dbraw/zinc/50/81/93/398508193.db2.gz AKJZIBLPZWPHFI-UHFFFAOYSA-N 1 2 324.428 2.911 20 30 DFEDLO N#CCCCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000588888019 398513686 /nfs/dbraw/zinc/51/36/86/398513686.db2.gz STYZKRITTZVWLU-UHFFFAOYSA-N 1 2 315.417 2.931 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000311885478 398514600 /nfs/dbraw/zinc/51/46/00/398514600.db2.gz WWKUYXDOMYHBCD-GFCCVEGCSA-N 1 2 323.234 2.915 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000311885478 398514603 /nfs/dbraw/zinc/51/46/03/398514603.db2.gz WWKUYXDOMYHBCD-GFCCVEGCSA-N 1 2 323.234 2.915 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)c1 ZINC000032080409 398526064 /nfs/dbraw/zinc/52/60/64/398526064.db2.gz RVQZOPKODXWPGD-UHFFFAOYSA-N 1 2 311.429 2.723 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 ZINC000589127678 398529268 /nfs/dbraw/zinc/52/92/68/398529268.db2.gz LSYUHIXYTYYWFX-INIZCTEOSA-N 1 2 308.385 2.854 20 30 DFEDLO CC(C)O[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000593053617 398532391 /nfs/dbraw/zinc/53/23/91/398532391.db2.gz IUUOMSDPTBRUEP-CQSZACIVSA-N 1 2 303.362 2.856 20 30 DFEDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000593053617 398532395 /nfs/dbraw/zinc/53/23/95/398532395.db2.gz IUUOMSDPTBRUEP-CQSZACIVSA-N 1 2 303.362 2.856 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1F ZINC000121326762 185782234 /nfs/dbraw/zinc/78/22/34/185782234.db2.gz JUSNUZBZRUZRLM-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc1F ZINC000121326762 185782235 /nfs/dbraw/zinc/78/22/35/185782235.db2.gz JUSNUZBZRUZRLM-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000589366676 398548263 /nfs/dbraw/zinc/54/82/63/398548263.db2.gz IBJNTUHXCOKHDC-UHFFFAOYSA-N 1 2 314.308 2.856 20 30 DFEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593122297 398551868 /nfs/dbraw/zinc/55/18/68/398551868.db2.gz FQQUZJWICVQQES-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593122297 398551871 /nfs/dbraw/zinc/55/18/71/398551871.db2.gz FQQUZJWICVQQES-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO COC(=O)c1oc(C[NH2+]Cc2ccc(C#N)cc2F)cc1C ZINC000597055645 398556518 /nfs/dbraw/zinc/55/65/18/398556518.db2.gz MWFBNTAXVVCKEN-UHFFFAOYSA-N 1 2 302.305 2.675 20 30 DFEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1Cl ZINC000593153324 398559652 /nfs/dbraw/zinc/55/96/52/398559652.db2.gz KWQALGRDZLRBJX-AWEZNQCLSA-N 1 2 314.216 2.876 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cccc(C#N)n1 ZINC000589535631 398559974 /nfs/dbraw/zinc/55/99/74/398559974.db2.gz OYTIGWLDGZKUAQ-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccc(F)cc2s1 ZINC000593155564 398560738 /nfs/dbraw/zinc/56/07/38/398560738.db2.gz DCVSYVSVIOJPMX-OAHLLOKOSA-N 1 2 305.378 2.614 20 30 DFEDLO Cc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000593155606 398560771 /nfs/dbraw/zinc/56/07/71/398560771.db2.gz JXLUWENKUMEJOQ-INIZCTEOSA-N 1 2 307.825 2.541 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(F)ccc2OC)n1 ZINC000279822682 215175163 /nfs/dbraw/zinc/17/51/63/215175163.db2.gz YTRCZIHZWALDLZ-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(F)ccc2OC)n1 ZINC000279822682 215175166 /nfs/dbraw/zinc/17/51/66/215175166.db2.gz YTRCZIHZWALDLZ-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000597131783 398571795 /nfs/dbraw/zinc/57/17/95/398571795.db2.gz WXNSGDAVNXPOJN-SRVWHDFXSA-N 1 2 316.470 2.973 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000597131783 398571797 /nfs/dbraw/zinc/57/17/97/398571797.db2.gz WXNSGDAVNXPOJN-SRVWHDFXSA-N 1 2 316.470 2.973 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000041789539 398572954 /nfs/dbraw/zinc/57/29/54/398572954.db2.gz RNKCTXOHCJXOSG-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OC ZINC000597174432 398582557 /nfs/dbraw/zinc/58/25/57/398582557.db2.gz QEKAAECKYQXBIJ-LBPRGKRZSA-N 1 2 319.361 2.738 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OC ZINC000597174432 398582559 /nfs/dbraw/zinc/58/25/59/398582559.db2.gz QEKAAECKYQXBIJ-LBPRGKRZSA-N 1 2 319.361 2.738 20 30 DFEDLO COc1cccc([C@H](CO)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000589990833 398587729 /nfs/dbraw/zinc/58/77/29/398587729.db2.gz NUKVRXRLIQDXPW-KRWDZBQOSA-N 1 2 300.333 2.529 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000597228549 398597635 /nfs/dbraw/zinc/59/76/35/398597635.db2.gz CTBUJWMVGYUKIG-GOSISDBHSA-N 1 2 324.384 2.583 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000597228549 398597638 /nfs/dbraw/zinc/59/76/38/398597638.db2.gz CTBUJWMVGYUKIG-GOSISDBHSA-N 1 2 324.384 2.583 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590215420 398605794 /nfs/dbraw/zinc/60/57/94/398605794.db2.gz BTBOZGWNSHFIBU-CQSZACIVSA-N 1 2 315.392 2.725 20 30 DFEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597255021 398608416 /nfs/dbraw/zinc/60/84/16/398608416.db2.gz FHKBNQJPSNFBFM-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597255021 398608418 /nfs/dbraw/zinc/60/84/18/398608418.db2.gz FHKBNQJPSNFBFM-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000351028096 398613392 /nfs/dbraw/zinc/61/33/92/398613392.db2.gz UHNMYQCNPODHIJ-RBSFLKMASA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000351028096 398613393 /nfs/dbraw/zinc/61/33/93/398613393.db2.gz UHNMYQCNPODHIJ-RBSFLKMASA-N 1 2 321.421 2.519 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@]2(C#N)C[C@H]2C)n1 ZINC000351094012 398617117 /nfs/dbraw/zinc/61/71/17/398617117.db2.gz RIHOAWPUGDKWOU-DIFFPNOSSA-N 1 2 307.357 2.831 20 30 DFEDLO C[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000593430233 398625933 /nfs/dbraw/zinc/62/59/33/398625933.db2.gz NRYDFMXQGWINSW-GJZGRUSLSA-N 1 2 315.421 2.560 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000593450286 398633249 /nfs/dbraw/zinc/63/32/49/398633249.db2.gz KSGFILSHEHRUIB-ZIAGYGMSSA-N 1 2 303.381 2.581 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000593474204 398640487 /nfs/dbraw/zinc/64/04/87/398640487.db2.gz KSIRFAFOEOPVBM-CJNGLKHVSA-N 1 2 318.417 2.852 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000182034966 199377248 /nfs/dbraw/zinc/37/72/48/199377248.db2.gz ADWSWIUMVCUFON-UHFFFAOYSA-N 1 2 314.433 2.684 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364965730 398647392 /nfs/dbraw/zinc/64/73/92/398647392.db2.gz ZRZVPLMCYSRHEF-OAHLLOKOSA-N 1 2 302.422 2.624 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000365459249 398648859 /nfs/dbraw/zinc/64/88/59/398648859.db2.gz IQRGXRVLMXPTOR-MRXNPFEDSA-N 1 2 308.385 2.506 20 30 DFEDLO CC[C@H](C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000593510421 398650271 /nfs/dbraw/zinc/65/02/71/398650271.db2.gz WVZDLKYNSAJUNC-MRXNPFEDSA-N 1 2 310.401 2.682 20 30 DFEDLO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271938957 186410158 /nfs/dbraw/zinc/41/01/58/186410158.db2.gz LBAHQTUQNCNAKW-BZUNDVKYSA-N 1 2 303.381 2.653 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000593571103 398657002 /nfs/dbraw/zinc/65/70/02/398657002.db2.gz AARCCUYFOPVJMT-MRXNPFEDSA-N 1 2 322.412 2.560 20 30 DFEDLO O=C(NCC#Cc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045060903 398661191 /nfs/dbraw/zinc/66/11/91/398661191.db2.gz OMIYYCIDOZBYJP-UHFFFAOYSA-N 1 2 315.376 2.713 20 30 DFEDLO CC1(CC(F)(F)F)CN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000590739272 398663241 /nfs/dbraw/zinc/66/32/41/398663241.db2.gz SYBUBYWCERVCDE-UHFFFAOYSA-N 1 2 324.310 2.519 20 30 DFEDLO CS[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590750082 398664682 /nfs/dbraw/zinc/66/46/82/398664682.db2.gz YMFLGCSOESILQD-OAHLLOKOSA-N 1 2 312.442 2.990 20 30 DFEDLO CS[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590750082 398664686 /nfs/dbraw/zinc/66/46/86/398664686.db2.gz YMFLGCSOESILQD-OAHLLOKOSA-N 1 2 312.442 2.990 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1Cl ZINC000593688317 398671715 /nfs/dbraw/zinc/67/17/15/398671715.db2.gz OMYWMLJMZCXQCD-QAJFTPDKSA-N 1 2 311.834 2.610 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1Cl ZINC000593688317 398671719 /nfs/dbraw/zinc/67/17/19/398671719.db2.gz OMYWMLJMZCXQCD-QAJFTPDKSA-N 1 2 311.834 2.610 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000597656884 398675084 /nfs/dbraw/zinc/67/50/84/398675084.db2.gz NJTNHQNODOKHCT-CRAIPNDOSA-N 1 2 322.412 2.767 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000597656884 398675088 /nfs/dbraw/zinc/67/50/88/398675088.db2.gz NJTNHQNODOKHCT-CRAIPNDOSA-N 1 2 322.412 2.767 20 30 DFEDLO C[C@@H](CC#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000597696596 398681844 /nfs/dbraw/zinc/68/18/44/398681844.db2.gz CUZQXHDHLQCATQ-NSHDSACASA-N 1 2 302.765 2.692 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000281350020 334976302 /nfs/dbraw/zinc/97/63/02/334976302.db2.gz NBROHZNPRTZZCG-IUCAKERBSA-N 1 2 319.352 2.599 20 30 DFEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC000281183248 334977002 /nfs/dbraw/zinc/97/70/02/334977002.db2.gz YYYAUBDWYALULW-GOEBONIOSA-N 1 2 319.474 2.794 20 30 DFEDLO N#CC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000593786003 398686695 /nfs/dbraw/zinc/68/66/95/398686695.db2.gz FUTRBCKAZPBGJZ-UHFFFAOYSA-N 1 2 308.385 2.745 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000412839258 398697968 /nfs/dbraw/zinc/69/79/68/398697968.db2.gz LHPJMTSJAGLWAG-IAGOWNOFSA-N 1 2 309.413 2.749 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCCCC#N)C2 ZINC000593969631 398710514 /nfs/dbraw/zinc/71/05/14/398710514.db2.gz BYHJVMDCBIRMSW-ZDUSSCGKSA-N 1 2 302.422 2.696 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000593972957 398711741 /nfs/dbraw/zinc/71/17/41/398711741.db2.gz TUSUHEPTPVNMCC-GFCCVEGCSA-N 1 2 301.350 2.613 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000591025928 398717111 /nfs/dbraw/zinc/71/71/11/398717111.db2.gz HTBDAJGIVKTSKO-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO CO[C@@H](C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594030952 398726791 /nfs/dbraw/zinc/72/67/91/398726791.db2.gz BBBJCEKMYXKJJM-LBPRGKRZSA-N 1 2 312.373 2.818 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183795892 283098215 /nfs/dbraw/zinc/09/82/15/283098215.db2.gz UKQWPWMTOZXHOA-UHFFFAOYSA-N 1 2 310.376 2.805 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183795892 283098221 /nfs/dbraw/zinc/09/82/21/283098221.db2.gz UKQWPWMTOZXHOA-UHFFFAOYSA-N 1 2 310.376 2.805 20 30 DFEDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000591306579 398746963 /nfs/dbraw/zinc/74/69/63/398746963.db2.gz PRUNAACQJDHOCE-UHFFFAOYSA-N 1 2 311.389 2.548 20 30 DFEDLO CO[C@@H](CC(C)C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000591374253 398754348 /nfs/dbraw/zinc/75/43/48/398754348.db2.gz BYASEBZHSRVGAG-OALUTQOASA-N 1 2 315.461 2.757 20 30 DFEDLO CO[C@@H](CC(C)C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000591374253 398754351 /nfs/dbraw/zinc/75/43/51/398754351.db2.gz BYASEBZHSRVGAG-OALUTQOASA-N 1 2 315.461 2.757 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C/c2cccc(OCC)c2O)CC1 ZINC000005293581 181227038 /nfs/dbraw/zinc/22/70/38/181227038.db2.gz SAHIZNUJAPYDRC-LDADJPATSA-N 1 2 320.389 2.831 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594228002 398769296 /nfs/dbraw/zinc/76/92/96/398769296.db2.gz CBBNWAOCQFYZFI-UHFFFAOYSA-N 1 2 323.400 2.636 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041448 398770175 /nfs/dbraw/zinc/77/01/75/398770175.db2.gz KTBBJIFAOBOLEH-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2nc(C)c(C#N)cc2Cl)C1 ZINC000591628860 398777711 /nfs/dbraw/zinc/77/77/11/398777711.db2.gz ALGLVDCNILYFCV-YPMHNXCESA-N 1 2 317.780 2.605 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2ncc(Cl)c(C)c2C#N)C1 ZINC000591630157 398777795 /nfs/dbraw/zinc/77/77/95/398777795.db2.gz ISAKEQDXSNZCRZ-MFKMUULPSA-N 1 2 317.780 2.605 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000594265814 398776840 /nfs/dbraw/zinc/77/68/40/398776840.db2.gz JZCYGFFKYZSWOB-AWEZNQCLSA-N 1 2 322.412 2.586 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)c1cccc(C#N)c1 ZINC000591616679 398776995 /nfs/dbraw/zinc/77/69/95/398776995.db2.gz ZADJGXURIQQVIG-SWLSCSKDSA-N 1 2 312.373 2.686 20 30 DFEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cs1 ZINC000184729196 199757948 /nfs/dbraw/zinc/75/79/48/199757948.db2.gz MXPYGEXUVZMTEP-LLVKDONJSA-N 1 2 314.414 2.866 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000594325828 398783328 /nfs/dbraw/zinc/78/33/28/398783328.db2.gz MRGLLAPPSWXBJI-WMLDXEAASA-N 1 2 322.412 2.627 20 30 DFEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC(C)(C)C#N)cc1 ZINC000591759333 398784562 /nfs/dbraw/zinc/78/45/62/398784562.db2.gz HZPKAAGFLDITQF-UHFFFAOYSA-N 1 2 322.474 2.897 20 30 DFEDLO C#CCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276940472 213191021 /nfs/dbraw/zinc/19/10/21/213191021.db2.gz ARYWKRZAEHJZED-HNNXBMFYSA-N 1 2 300.402 2.822 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000591808412 398789562 /nfs/dbraw/zinc/78/95/62/398789562.db2.gz ICRBINMUNMHETO-CZUORRHYSA-N 1 2 308.385 2.537 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000075296537 398795920 /nfs/dbraw/zinc/79/59/20/398795920.db2.gz FZRIHSPIPPZYSJ-QZTJIDSGSA-N 1 2 322.412 2.962 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2Cc3ccccc3C2)C1=O ZINC000177059932 283227052 /nfs/dbraw/zinc/22/70/52/283227052.db2.gz QSRKOXKUPUBIFA-OAHLLOKOSA-N 1 2 309.394 2.741 20 30 DFEDLO CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000049982168 398800928 /nfs/dbraw/zinc/80/09/28/398800928.db2.gz JOPQTTANCTYHOR-ZZFFKQLHSA-N 1 2 303.450 2.553 20 30 DFEDLO CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000049982168 398800930 /nfs/dbraw/zinc/80/09/30/398800930.db2.gz JOPQTTANCTYHOR-ZZFFKQLHSA-N 1 2 303.450 2.553 20 30 DFEDLO C[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000075596303 398812228 /nfs/dbraw/zinc/81/22/28/398812228.db2.gz CFYXXUUXUZMQQV-UHFFFAOYSA-N 1 2 310.279 2.678 20 30 DFEDLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000075596303 398812232 /nfs/dbraw/zinc/81/22/32/398812232.db2.gz CFYXXUUXUZMQQV-UHFFFAOYSA-N 1 2 310.279 2.678 20 30 DFEDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000594507512 398812235 /nfs/dbraw/zinc/81/22/35/398812235.db2.gz GCJAJFVJRNVAQH-HZMBPMFUSA-N 1 2 315.352 2.518 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1F ZINC000594511884 398813386 /nfs/dbraw/zinc/81/33/86/398813386.db2.gz QZKTZRXTRZVKPA-QMTHXVAHSA-N 1 2 315.352 2.518 20 30 DFEDLO Cc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)o1 ZINC000051965579 398828334 /nfs/dbraw/zinc/82/83/34/398828334.db2.gz WQRRPAMSCCZXDZ-UHFFFAOYSA-N 1 2 315.417 2.895 20 30 DFEDLO Cc1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)o1 ZINC000051965579 398828331 /nfs/dbraw/zinc/82/83/31/398828331.db2.gz WQRRPAMSCCZXDZ-UHFFFAOYSA-N 1 2 315.417 2.895 20 30 DFEDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607478 398830312 /nfs/dbraw/zinc/83/03/12/398830312.db2.gz VPFVZBIXROFWCI-INIZCTEOSA-N 1 2 300.402 2.919 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccc1OCC ZINC000052164044 398834180 /nfs/dbraw/zinc/83/41/80/398834180.db2.gz SLVRVDUQFXYYSJ-UHFFFAOYSA-N 1 2 304.434 2.942 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccc1OCC ZINC000052164044 398834183 /nfs/dbraw/zinc/83/41/83/398834183.db2.gz SLVRVDUQFXYYSJ-UHFFFAOYSA-N 1 2 304.434 2.942 20 30 DFEDLO CC(C)n1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000179960550 199099455 /nfs/dbraw/zinc/09/94/55/199099455.db2.gz GSJNXNQBVGNYFU-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO Cc1cc2[nH+]cn(Cc3cn(CC4(CC#N)CC4)nn3)c2cc1C ZINC000594651782 398837493 /nfs/dbraw/zinc/83/74/93/398837493.db2.gz KRENLUJCKWXXBS-UHFFFAOYSA-N 1 2 320.400 2.987 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccn1 ZINC000598600276 398839264 /nfs/dbraw/zinc/83/92/64/398839264.db2.gz AGRFZTJSZSRMFG-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)CC3(C#N)CCCCC3)sc2C1 ZINC000598611205 398841561 /nfs/dbraw/zinc/84/15/61/398841561.db2.gz GPRMKZHLULEFTE-UHFFFAOYSA-N 1 2 318.446 2.934 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)CC3(C#N)CCCCC3)sc2C1 ZINC000598611205 398841563 /nfs/dbraw/zinc/84/15/63/398841563.db2.gz GPRMKZHLULEFTE-UHFFFAOYSA-N 1 2 318.446 2.934 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598650915 398848188 /nfs/dbraw/zinc/84/81/88/398848188.db2.gz SPFSNWVYCIBMTK-DOMZBBRYSA-N 1 2 315.408 2.798 20 30 DFEDLO COCC[N@H+](Cc1ncc(C)s1)Cc1ccc(C#N)cc1 ZINC000180454235 199160964 /nfs/dbraw/zinc/16/09/64/199160964.db2.gz INDOEYKMPZVQJF-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO COCC[N@@H+](Cc1ncc(C)s1)Cc1ccc(C#N)cc1 ZINC000180454235 199160966 /nfs/dbraw/zinc/16/09/66/199160966.db2.gz INDOEYKMPZVQJF-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000076405545 398854966 /nfs/dbraw/zinc/85/49/66/398854966.db2.gz DWXBHIWBEFTICW-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000076405545 398854970 /nfs/dbraw/zinc/85/49/70/398854970.db2.gz DWXBHIWBEFTICW-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000598836288 398881637 /nfs/dbraw/zinc/88/16/37/398881637.db2.gz FMPVQVPUMCBOIZ-SCTDSRPQSA-N 1 2 313.445 2.605 20 30 DFEDLO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c[nH]1 ZINC000180875126 199221860 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CC[C@@H](C#N)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000599236428 398941884 /nfs/dbraw/zinc/94/18/84/398941884.db2.gz CDPDMZWQZVJPDF-GJZGRUSLSA-N 1 2 305.809 2.723 20 30 DFEDLO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000595482524 398947823 /nfs/dbraw/zinc/94/78/23/398947823.db2.gz PHZMITOXBXTLJO-CABZTGNLSA-N 1 2 310.195 2.635 20 30 DFEDLO COc1cncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000599305248 398951483 /nfs/dbraw/zinc/95/14/83/398951483.db2.gz WPCUAYWZIUTPHL-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1cncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000599305248 398951486 /nfs/dbraw/zinc/95/14/86/398951486.db2.gz WPCUAYWZIUTPHL-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505951 398953208 /nfs/dbraw/zinc/95/32/08/398953208.db2.gz AGYDBVVLBKNEJM-AWEZNQCLSA-N 1 2 318.371 2.920 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505951 398953212 /nfs/dbraw/zinc/95/32/12/398953212.db2.gz 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N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191648 284156749 /nfs/dbraw/zinc/15/67/49/284156749.db2.gz KWFLOHVHPDGZFJ-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191648 284156751 /nfs/dbraw/zinc/15/67/51/284156751.db2.gz KWFLOHVHPDGZFJ-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO CC[N@H+](CCOc1ccccc1OC)Cc1nc(C#N)cs1 ZINC000595889345 399123700 /nfs/dbraw/zinc/12/37/00/399123700.db2.gz YGWSWBWEWVWLPZ-UHFFFAOYSA-N 1 2 317.414 2.924 20 30 DFEDLO CC[N@@H+](CCOc1ccccc1OC)Cc1nc(C#N)cs1 ZINC000595889345 399123705 /nfs/dbraw/zinc/12/37/05/399123705.db2.gz YGWSWBWEWVWLPZ-UHFFFAOYSA-N 1 2 317.414 2.924 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385506 193242174 /nfs/dbraw/zinc/24/21/74/193242174.db2.gz VZNLIIOFBWWVIM-MRXNPFEDSA-N 1 2 313.332 2.528 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385506 193242175 /nfs/dbraw/zinc/24/21/75/193242175.db2.gz VZNLIIOFBWWVIM-MRXNPFEDSA-N 1 2 313.332 2.528 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccccc2C#N)CC1 ZINC000263677402 203506891 /nfs/dbraw/zinc/50/68/91/203506891.db2.gz HJCDPHRKAJLSIO-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO C[NH+]1CCN(Cc2ccccc2-c2cc(C#N)ccc2O)CC1 ZINC000600792497 399149190 /nfs/dbraw/zinc/14/91/90/399149190.db2.gz YVPFLWCJSPXKLA-UHFFFAOYSA-N 1 2 307.397 2.678 20 30 DFEDLO CN1CC[NH+](Cc2ccccc2-c2cc(C#N)ccc2O)CC1 ZINC000600792497 399149195 /nfs/dbraw/zinc/14/91/95/399149195.db2.gz YVPFLWCJSPXKLA-UHFFFAOYSA-N 1 2 307.397 2.678 20 30 DFEDLO COc1cc(Br)c(C[NH2+]C[C@@H](C)C#N)c(OC)c1 ZINC000183832031 399155171 /nfs/dbraw/zinc/15/51/71/399155171.db2.gz KYABYTFFKCEZRB-VIFPVBQESA-N 1 2 313.195 2.716 20 30 DFEDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596111987 399177215 /nfs/dbraw/zinc/17/72/15/399177215.db2.gz GOKIMGQUYFQLNQ-AWEZNQCLSA-N 1 2 311.345 2.813 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000194976136 399182727 /nfs/dbraw/zinc/18/27/27/399182727.db2.gz IHLLIFRTIKUNJA-LLVKDONJSA-N 1 2 311.223 2.744 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000194976136 399182736 /nfs/dbraw/zinc/18/27/36/399182736.db2.gz IHLLIFRTIKUNJA-LLVKDONJSA-N 1 2 311.223 2.744 20 30 DFEDLO COC1(C)CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000271693122 209130805 /nfs/dbraw/zinc/13/08/05/209130805.db2.gz FPDLWFPXICVKHH-UHFFFAOYSA-N 1 2 321.446 2.676 20 30 DFEDLO C=CC[N@H+](CC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300732 399185266 /nfs/dbraw/zinc/18/52/66/399185266.db2.gz TXEJRNRPKJYLML-UHFFFAOYSA-N 1 2 319.408 2.863 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300732 399185271 /nfs/dbraw/zinc/18/52/71/399185271.db2.gz TXEJRNRPKJYLML-UHFFFAOYSA-N 1 2 319.408 2.863 20 30 DFEDLO C[C@H]1CCN(c2nc3ncccc3cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000596157859 399195468 /nfs/dbraw/zinc/19/54/68/399195468.db2.gz IDZWPTRPOYRARI-XJKSGUPXSA-N 1 2 318.384 2.785 20 30 DFEDLO C[C@@H]1CCN(c2nc3ncccc3cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000596157857 399195612 /nfs/dbraw/zinc/19/56/12/399195612.db2.gz IDZWPTRPOYRARI-CJNGLKHVSA-N 1 2 318.384 2.785 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000198428229 399195672 /nfs/dbraw/zinc/19/56/72/399195672.db2.gz BPLRUHLBCZUHCA-BQYQJAHWSA-N 1 2 321.380 2.509 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000064248725 399218103 /nfs/dbraw/zinc/21/81/03/399218103.db2.gz GXZDDOISEBJHCP-KGLIPLIRSA-N 1 2 305.397 2.827 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000064248725 399218107 /nfs/dbraw/zinc/21/81/07/399218107.db2.gz GXZDDOISEBJHCP-KGLIPLIRSA-N 1 2 305.397 2.827 20 30 DFEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614396000 399224103 /nfs/dbraw/zinc/22/41/03/399224103.db2.gz LZUWPOGPCSOVFN-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614406863 399227574 /nfs/dbraw/zinc/22/75/74/399227574.db2.gz CZMQLZHVXBOCGI-GOSISDBHSA-N 1 2 324.428 2.791 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614406863 399227579 /nfs/dbraw/zinc/22/75/79/399227579.db2.gz CZMQLZHVXBOCGI-GOSISDBHSA-N 1 2 324.428 2.791 20 30 DFEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267357800 206008996 /nfs/dbraw/zinc/00/89/96/206008996.db2.gz HQQUNUAMVYYWCQ-GFCCVEGCSA-N 1 2 321.306 2.838 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000064795698 399232156 /nfs/dbraw/zinc/23/21/56/399232156.db2.gz MMFHRHACNLSADE-JHJVBQTASA-N 1 2 307.825 2.997 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000064795698 399232158 /nfs/dbraw/zinc/23/21/58/399232158.db2.gz MMFHRHACNLSADE-JHJVBQTASA-N 1 2 307.825 2.997 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(C#N)nc(C3CC3)n1)C2 ZINC000601112792 399231371 /nfs/dbraw/zinc/23/13/71/399231371.db2.gz FMSLYYAUHKSOKD-UHFFFAOYSA-N 1 2 322.416 2.645 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000064797370 399232839 /nfs/dbraw/zinc/23/28/39/399232839.db2.gz SFHHMEXDRDEKMP-PWSUYJOCSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000064797370 399232841 /nfs/dbraw/zinc/23/28/41/399232841.db2.gz SFHHMEXDRDEKMP-PWSUYJOCSA-N 1 2 317.216 2.825 20 30 DFEDLO N#Cc1cccc(NC(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000024763647 182390796 /nfs/dbraw/zinc/39/07/96/182390796.db2.gz AZPFUSQGKLRICL-UHFFFAOYSA-N 1 2 308.366 2.937 20 30 DFEDLO C[C@H](c1nccs1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192189937 335027418 /nfs/dbraw/zinc/02/74/18/335027418.db2.gz OWRJHTVCSCEEIF-MRXNPFEDSA-N 1 2 311.454 2.873 20 30 DFEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286349931 335033212 /nfs/dbraw/zinc/03/32/12/335033212.db2.gz KTWUJKLGHFPUHR-HNNXBMFYSA-N 1 2 320.437 2.636 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccccc2CC#N)C[C@H]1n1cc[nH+]c1 ZINC000601315296 399275509 /nfs/dbraw/zinc/27/55/09/399275509.db2.gz XIAJUPXQRHFISR-WMLDXEAASA-N 1 2 308.385 2.672 20 30 DFEDLO C[C@H](C#N)CN(C)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000608784570 399295451 /nfs/dbraw/zinc/29/54/51/399295451.db2.gz HTTQHXVDNCCIMI-SNVBAGLBSA-N 1 2 307.195 2.688 20 30 DFEDLO C=CCC1(NC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000619111397 399297219 /nfs/dbraw/zinc/29/72/19/399297219.db2.gz ZXCHWIPHRUNVFH-HOTGVXAUSA-N 1 2 308.466 2.881 20 30 DFEDLO C=CCC1(NC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000619111397 399297220 /nfs/dbraw/zinc/29/72/20/399297220.db2.gz ZXCHWIPHRUNVFH-HOTGVXAUSA-N 1 2 308.466 2.881 20 30 DFEDLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000609257235 399310802 /nfs/dbraw/zinc/31/08/02/399310802.db2.gz DPTFCGBFJROFDV-ZDUSSCGKSA-N 1 2 323.400 2.702 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2ccc(F)cc21 ZINC000609288477 399312351 /nfs/dbraw/zinc/31/23/51/399312351.db2.gz ZFBPVZVONCULLX-OAHLLOKOSA-N 1 2 322.347 2.978 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609552293 399322660 /nfs/dbraw/zinc/32/26/60/399322660.db2.gz LAMSILDNOZBIQK-MRXNPFEDSA-N 1 2 309.373 2.818 20 30 DFEDLO CS[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000609765507 399330828 /nfs/dbraw/zinc/33/08/28/399330828.db2.gz XKWQQQNNGWTIRU-VXGBXAGGSA-N 1 2 316.434 2.826 20 30 DFEDLO C=C(CNC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000287248700 335042389 /nfs/dbraw/zinc/04/23/89/335042389.db2.gz GCXVSIATFACZFY-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004226 399338407 /nfs/dbraw/zinc/33/84/07/399338407.db2.gz GJNSMZOJVYTIRA-KBPBESRZSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004226 399338410 /nfs/dbraw/zinc/33/84/10/399338410.db2.gz GJNSMZOJVYTIRA-KBPBESRZSA-N 1 2 317.408 2.753 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601823482 399343701 /nfs/dbraw/zinc/34/37/01/399343701.db2.gz XABJWBFEZIQJBZ-ZBFHGGJFSA-N 1 2 310.401 2.886 20 30 DFEDLO CCc1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000104713676 194029141 /nfs/dbraw/zinc/02/91/41/194029141.db2.gz WINFSPSMRAQCMH-UHFFFAOYSA-N 1 2 312.373 2.547 20 30 DFEDLO CCn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000284658538 218119489 /nfs/dbraw/zinc/11/94/89/218119489.db2.gz GTISEKRUJFBNIX-MRXNPFEDSA-N 1 2 314.389 2.625 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC(C(F)(F)F)CC1 ZINC000610282270 399353393 /nfs/dbraw/zinc/35/33/93/399353393.db2.gz CDCWIPDEJBSXGZ-UHFFFAOYSA-N 1 2 324.310 2.519 20 30 DFEDLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610349573 399359820 /nfs/dbraw/zinc/35/98/20/399359820.db2.gz GWVBTZYNRMIIKU-AWEZNQCLSA-N 1 2 311.389 2.595 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C#N)cn1 ZINC000619546108 399360339 /nfs/dbraw/zinc/36/03/39/399360339.db2.gz DTJPNKKNCWHXTJ-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000610361991 399360903 /nfs/dbraw/zinc/36/09/03/399360903.db2.gz JYNMCBYSTUPGPU-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610410470 399364904 /nfs/dbraw/zinc/36/49/04/399364904.db2.gz UGMZNDSUBZPBLV-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610410470 399364907 /nfs/dbraw/zinc/36/49/07/399364907.db2.gz UGMZNDSUBZPBLV-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610410472 399365241 /nfs/dbraw/zinc/36/52/41/399365241.db2.gz UGMZNDSUBZPBLV-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610410472 399365243 /nfs/dbraw/zinc/36/52/43/399365243.db2.gz UGMZNDSUBZPBLV-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505673 399375525 /nfs/dbraw/zinc/37/55/25/399375525.db2.gz RICUMYAXYUUSAR-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505673 399375527 /nfs/dbraw/zinc/37/55/27/399375527.db2.gz RICUMYAXYUUSAR-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO C=C[C@H]([NH2+]CC1(c2cccc(OC)c2)CCCC1)C(=O)OC ZINC000619701703 399380158 /nfs/dbraw/zinc/38/01/58/399380158.db2.gz RTWUTOMBACSDDF-INIZCTEOSA-N 1 2 303.402 2.824 20 30 DFEDLO N#CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000615759184 399381125 /nfs/dbraw/zinc/38/11/25/399381125.db2.gz VXFVHTDHHAPIKL-CYBMUJFWSA-N 1 2 312.348 2.531 20 30 DFEDLO C=CCCO[C@@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000273770030 211042389 /nfs/dbraw/zinc/04/23/89/211042389.db2.gz CNOMRVDQWYALBS-LBPRGKRZSA-N 1 2 311.345 2.971 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1cccc(Br)c1 ZINC000619716796 399381430 /nfs/dbraw/zinc/38/14/30/399381430.db2.gz KCNGZAAOMCMUOA-ZDUSSCGKSA-N 1 2 312.207 2.999 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1cccc(Br)c1 ZINC000619716796 399381431 /nfs/dbraw/zinc/38/14/31/399381431.db2.gz KCNGZAAOMCMUOA-ZDUSSCGKSA-N 1 2 312.207 2.999 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000619719593 399382769 /nfs/dbraw/zinc/38/27/69/399382769.db2.gz NSHOLKYQXQUFIN-LSDHHAIUSA-N 1 2 305.349 2.591 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000619719593 399382766 /nfs/dbraw/zinc/38/27/66/399382766.db2.gz NSHOLKYQXQUFIN-LSDHHAIUSA-N 1 2 305.349 2.591 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610584869 399383816 /nfs/dbraw/zinc/38/38/16/399383816.db2.gz XZZBZHAGVLBURX-AWEZNQCLSA-N 1 2 313.336 2.763 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000602014092 399384716 /nfs/dbraw/zinc/38/47/16/399384716.db2.gz RFKJVEMCLUYAMH-UHFFFAOYSA-N 1 2 312.270 2.746 20 30 DFEDLO COCC[N@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615835672 399387560 /nfs/dbraw/zinc/38/75/60/399387560.db2.gz ZGADWWQKNTWPSE-KAMYIIQDSA-N 1 2 303.362 2.860 20 30 DFEDLO COCC[N@@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615835672 399387563 /nfs/dbraw/zinc/38/75/63/399387563.db2.gz ZGADWWQKNTWPSE-KAMYIIQDSA-N 1 2 303.362 2.860 20 30 DFEDLO N#Cc1ccccc1N1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110206924 194316222 /nfs/dbraw/zinc/31/62/22/194316222.db2.gz AVMHQQHMZNKGAJ-UHFFFAOYSA-N 1 2 319.412 2.942 20 30 DFEDLO C#CC[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000287527161 335044472 /nfs/dbraw/zinc/04/44/72/335044472.db2.gz BYVOEVNJMMKBSN-MRXNPFEDSA-N 1 2 320.383 2.844 20 30 DFEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000110563855 194339274 /nfs/dbraw/zinc/33/92/74/194339274.db2.gz BYKWJJFIGCDCCP-UHFFFAOYSA-N 1 2 323.444 2.832 20 30 DFEDLO N#CC1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000602149647 399401588 /nfs/dbraw/zinc/40/15/88/399401588.db2.gz IZQDBMCUKBWQQX-UHFFFAOYSA-N 1 2 324.384 2.638 20 30 DFEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]1 ZINC000602163079 399403773 /nfs/dbraw/zinc/40/37/73/399403773.db2.gz HDZFEJPMYOYDPR-MRXNPFEDSA-N 1 2 308.385 2.580 20 30 DFEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610767263 399404688 /nfs/dbraw/zinc/40/46/88/399404688.db2.gz MXUOTWKQVGCMIH-UHFFFAOYSA-N 1 2 320.356 2.677 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602178229 399405723 /nfs/dbraw/zinc/40/57/23/399405723.db2.gz MCWHJVJDFRFJHS-RYUDHWBXSA-N 1 2 314.311 2.529 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000616047307 399416526 /nfs/dbraw/zinc/41/65/26/399416526.db2.gz KOGHCTGNDIRPIU-JOYOIKCWSA-N 1 2 312.200 2.990 20 30 DFEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000610958747 399421869 /nfs/dbraw/zinc/42/18/69/399421869.db2.gz KGZUFVAUNDMWGB-BBRMVZONSA-N 1 2 323.400 2.693 20 30 DFEDLO Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000610966485 399422725 /nfs/dbraw/zinc/42/27/25/399422725.db2.gz VWTVKNLXPFBBOA-GOSISDBHSA-N 1 2 320.396 2.600 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CC2)cc1 ZINC000611011851 399428663 /nfs/dbraw/zinc/42/86/63/399428663.db2.gz AIIRBVDUJWCPSC-MRXNPFEDSA-N 1 2 320.396 2.508 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)CCOC(C)(C)C)c1C#N ZINC000611126806 399436872 /nfs/dbraw/zinc/43/68/72/399436872.db2.gz FHJUWBJYHAMTHV-UHFFFAOYSA-N 1 2 304.390 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)CCOC(C)(C)C)c1C#N ZINC000611126806 399436873 /nfs/dbraw/zinc/43/68/73/399436873.db2.gz FHJUWBJYHAMTHV-UHFFFAOYSA-N 1 2 304.390 2.592 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153789 399439715 /nfs/dbraw/zinc/43/97/15/399439715.db2.gz RCVQVFFTTLGAJD-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153789 399439718 /nfs/dbraw/zinc/43/97/18/399439718.db2.gz RCVQVFFTTLGAJD-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccns3)CC2)cc1 ZINC000602431426 399442267 /nfs/dbraw/zinc/44/22/67/399442267.db2.gz RIXSPFCSMUXMIX-UHFFFAOYSA-N 1 2 312.442 2.723 20 30 DFEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccns3)CC2)cc1 ZINC000602431426 399442269 /nfs/dbraw/zinc/44/22/69/399442269.db2.gz RIXSPFCSMUXMIX-UHFFFAOYSA-N 1 2 312.442 2.723 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000620170548 399451661 /nfs/dbraw/zinc/45/16/61/399451661.db2.gz JOBXGTCMZWFDIV-UHFFFAOYSA-N 1 2 309.435 2.660 20 30 DFEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611254182 399451789 /nfs/dbraw/zinc/45/17/89/399451789.db2.gz HPFUCCWERKUYEE-UHFFFAOYSA-N 1 2 305.447 2.700 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623687918 399444656 /nfs/dbraw/zinc/44/46/56/399444656.db2.gz SRTAHVZOIWWHED-OAHLLOKOSA-N 1 2 312.417 2.793 20 30 DFEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000602492727 399460505 /nfs/dbraw/zinc/46/05/05/399460505.db2.gz WTUBXRUHKXKGHL-AWEZNQCLSA-N 1 2 311.389 2.778 20 30 DFEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000602476980 399456208 /nfs/dbraw/zinc/45/62/08/399456208.db2.gz YTUOKKBGTZGGOH-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000602476980 399456212 /nfs/dbraw/zinc/45/62/12/399456212.db2.gz YTUOKKBGTZGGOH-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO CCOC(=O)C1([N@H+](C)Cc2cccc(C#N)n2)CCCCC1 ZINC000602477561 399456477 /nfs/dbraw/zinc/45/64/77/399456477.db2.gz SGMRDKDQOUVLHF-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO CCOC(=O)C1([N@@H+](C)Cc2cccc(C#N)n2)CCCCC1 ZINC000602477561 399456478 /nfs/dbraw/zinc/45/64/78/399456478.db2.gz SGMRDKDQOUVLHF-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000602494372 399460660 /nfs/dbraw/zinc/46/06/60/399460660.db2.gz NWAZSNZISUSKRE-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000602494372 399460662 /nfs/dbraw/zinc/46/06/62/399460662.db2.gz NWAZSNZISUSKRE-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(C)no2)cc1OC ZINC000620234936 399465689 /nfs/dbraw/zinc/46/56/89/399465689.db2.gz RGPWKQNSJLLHDN-UHFFFAOYSA-N 1 2 303.362 2.583 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(C)no2)cc1OC ZINC000620234936 399465692 /nfs/dbraw/zinc/46/56/92/399465692.db2.gz RGPWKQNSJLLHDN-UHFFFAOYSA-N 1 2 303.362 2.583 20 30 DFEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCCCn1cc[nH+]c1 ZINC000611369311 399466588 /nfs/dbraw/zinc/46/65/88/399466588.db2.gz DTXDQNFFONERGZ-UHFFFAOYSA-N 1 2 313.311 2.505 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000611492403 399481982 /nfs/dbraw/zinc/48/19/82/399481982.db2.gz BPYVZTYLWSQVLH-ZANVPECISA-N 1 2 312.200 2.990 20 30 DFEDLO COc1nsc(C[NH2+][C@H]2CCC[C@H]2C#N)c1Br ZINC000602606574 399488308 /nfs/dbraw/zinc/48/83/08/399488308.db2.gz AZJUHMRTDXCQTP-YUMQZZPRSA-N 1 2 316.224 2.696 20 30 DFEDLO COc1nsc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1Br ZINC000602606572 399488910 /nfs/dbraw/zinc/48/89/10/399488910.db2.gz AZJUHMRTDXCQTP-JGVFFNPUSA-N 1 2 316.224 2.696 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000602606829 399488979 /nfs/dbraw/zinc/48/89/79/399488979.db2.gz HADCQDKJHBAZOY-GOSISDBHSA-N 1 2 302.418 2.964 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OCCCCO)C1 ZINC000602606829 399488981 /nfs/dbraw/zinc/48/89/81/399488981.db2.gz HADCQDKJHBAZOY-GOSISDBHSA-N 1 2 302.418 2.964 20 30 DFEDLO Cc1ccc(CN(C(=O)C[NH+]2CCC(C)(C#N)CC2)C2CC2)o1 ZINC000611553460 399491193 /nfs/dbraw/zinc/49/11/93/399491193.db2.gz IKRRHZIONUDIOP-UHFFFAOYSA-N 1 2 315.417 2.705 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000611566024 399492891 /nfs/dbraw/zinc/49/28/91/399492891.db2.gz LOFLOTJXVPRWQR-XHDPSFHLSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000611566024 399492894 /nfs/dbraw/zinc/49/28/94/399492894.db2.gz LOFLOTJXVPRWQR-XHDPSFHLSA-N 1 2 308.385 2.572 20 30 DFEDLO N#CC1(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000602644115 399500459 /nfs/dbraw/zinc/50/04/59/399500459.db2.gz UVUOKESDESRKDK-UHFFFAOYSA-N 1 2 306.163 2.984 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602643965 399500893 /nfs/dbraw/zinc/50/08/93/399500893.db2.gz IYEHLBGOHJZACT-FQUUOJAGSA-N 1 2 309.431 2.574 20 30 DFEDLO C=CCC[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C(=O)OCC ZINC000602679387 399517110 /nfs/dbraw/zinc/51/71/10/399517110.db2.gz FHEKJTQIYFSWGG-LSDHHAIUSA-N 1 2 308.422 2.573 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)S1=O ZINC000616820406 399520204 /nfs/dbraw/zinc/52/02/04/399520204.db2.gz QMXBXOZFFWXKHZ-KBPBESRZSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)S1=O ZINC000616820407 399520529 /nfs/dbraw/zinc/52/05/29/399520529.db2.gz QMXBXOZFFWXKHZ-ZIAGYGMSSA-N 1 2 304.459 2.829 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N(CC)CC)[nH+]c1)OCC ZINC000270049540 208103843 /nfs/dbraw/zinc/10/38/43/208103843.db2.gz QVOCMMHDQNLMNK-INIZCTEOSA-N 1 2 319.449 2.915 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccccc3C#N)c2cc1C ZINC000270059778 208117926 /nfs/dbraw/zinc/11/79/26/208117926.db2.gz CCYVBMPTRMZYRN-INIZCTEOSA-N 1 2 321.380 2.965 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)C(=O)OC ZINC000602735626 399548250 /nfs/dbraw/zinc/54/82/50/399548250.db2.gz YSXQSNVMMGECCQ-GDBMZVCRSA-N 1 2 318.417 2.810 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C(=O)OC ZINC000602735323 399548102 /nfs/dbraw/zinc/54/81/02/399548102.db2.gz UYCJGJCUXTUUFS-SUMWQHHRSA-N 1 2 315.417 2.981 20 30 DFEDLO C=C(C)C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)OC ZINC000602734434 399548183 /nfs/dbraw/zinc/54/81/83/399548183.db2.gz OFAMIVHQUQPRMC-KRWDZBQOSA-N 1 2 302.418 2.753 20 30 DFEDLO N#CCCN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000602747850 399554861 /nfs/dbraw/zinc/55/48/61/399554861.db2.gz GPEUPCMLGJMUFR-UHFFFAOYSA-N 1 2 309.816 2.943 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000288401439 335052437 /nfs/dbraw/zinc/05/24/37/335052437.db2.gz GCCMLAFXUUIOID-MRXNPFEDSA-N 1 2 324.428 2.811 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000288401439 335052439 /nfs/dbraw/zinc/05/24/39/335052439.db2.gz GCCMLAFXUUIOID-MRXNPFEDSA-N 1 2 324.428 2.811 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000157986391 197233322 /nfs/dbraw/zinc/23/33/22/197233322.db2.gz GDPSNFTYYIFXBL-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC4(CCCC4)C3)o2)cc1 ZINC000157986391 197233324 /nfs/dbraw/zinc/23/33/24/197233324.db2.gz GDPSNFTYYIFXBL-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO COC(=O)[C@H](c1cccc(OC)c1)[NH+]1CCC(CC#N)CC1 ZINC000602806696 399582153 /nfs/dbraw/zinc/58/21/53/399582153.db2.gz OTTXAKNINMELMR-INIZCTEOSA-N 1 2 302.374 2.535 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156849420 197144628 /nfs/dbraw/zinc/14/46/28/197144628.db2.gz WRDJMSWJFOVKRQ-MRXNPFEDSA-N 1 2 309.417 2.953 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156849420 197144629 /nfs/dbraw/zinc/14/46/29/197144629.db2.gz WRDJMSWJFOVKRQ-MRXNPFEDSA-N 1 2 309.417 2.953 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163153 399595265 /nfs/dbraw/zinc/59/52/65/399595265.db2.gz OSJLUIICIAOZLD-KCYAQADSSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163153 399595271 /nfs/dbraw/zinc/59/52/71/399595271.db2.gz OSJLUIICIAOZLD-KCYAQADSSA-N 1 2 305.466 2.941 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162698 399595418 /nfs/dbraw/zinc/59/54/18/399595418.db2.gz LVNYUHGNIVZUGN-SFHVURJKSA-N 1 2 317.408 2.800 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162698 399595422 /nfs/dbraw/zinc/59/54/22/399595422.db2.gz LVNYUHGNIVZUGN-SFHVURJKSA-N 1 2 317.408 2.800 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163079 399595810 /nfs/dbraw/zinc/59/58/10/399595810.db2.gz NXJCAPCQCOJNTG-DYVFJYSZSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163079 399595812 /nfs/dbraw/zinc/59/58/12/399595812.db2.gz NXJCAPCQCOJNTG-DYVFJYSZSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@H]1C[NH+](Cc2coc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602855634 399604775 /nfs/dbraw/zinc/60/47/75/399604775.db2.gz IBTFKFJLWUNFOY-GJZGRUSLSA-N 1 2 310.401 2.760 20 30 DFEDLO COc1ccc(C[NH2+][C@@H](C)CC#N)c(Br)c1OC ZINC000602862893 399607794 /nfs/dbraw/zinc/60/77/94/399607794.db2.gz MLLWNMHDIQFMLA-VIFPVBQESA-N 1 2 313.195 2.858 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000602864728 399608000 /nfs/dbraw/zinc/60/80/00/399608000.db2.gz VDANNSAFWIAKOM-SNVBAGLBSA-N 1 2 314.216 2.544 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000602863727 399608006 /nfs/dbraw/zinc/60/80/06/399608006.db2.gz PKYXKVKZZFEDBT-CQSZACIVSA-N 1 2 301.434 2.535 20 30 DFEDLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)CC#N)n2CC ZINC000602869006 399609977 /nfs/dbraw/zinc/60/99/77/399609977.db2.gz FFHFBTREDQPTQM-LBPRGKRZSA-N 1 2 314.389 2.625 20 30 DFEDLO CC(C)(C)c1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602905793 399622400 /nfs/dbraw/zinc/62/24/00/399622400.db2.gz CRBWIDJHPOQMAV-UHFFFAOYSA-N 1 2 324.432 2.748 20 30 DFEDLO CC(C)c1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602913573 399624685 /nfs/dbraw/zinc/62/46/85/399624685.db2.gz WLYXVPPVVQHBDE-UHFFFAOYSA-N 1 2 311.389 2.839 20 30 DFEDLO CCOC(=O)[C@]1(C)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000603006050 399656885 /nfs/dbraw/zinc/65/68/85/399656885.db2.gz VTLDFFYSIWHVDE-INIZCTEOSA-N 1 2 308.422 2.505 20 30 DFEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000603006050 399656890 /nfs/dbraw/zinc/65/68/90/399656890.db2.gz VTLDFFYSIWHVDE-INIZCTEOSA-N 1 2 308.422 2.505 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000603069305 399670577 /nfs/dbraw/zinc/67/05/77/399670577.db2.gz AGYFOCAPJSAOLK-LBPRGKRZSA-N 1 2 313.336 2.832 20 30 DFEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@@H]1CCC[C@@H]1C#N ZINC000602981818 399649646 /nfs/dbraw/zinc/64/96/46/399649646.db2.gz JZPKZUGLRQOSFM-ZYHUDNBSSA-N 1 2 314.311 2.542 20 30 DFEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@@H]1CCC[C@@H]1C#N ZINC000602981818 399649650 /nfs/dbraw/zinc/64/96/50/399649650.db2.gz JZPKZUGLRQOSFM-ZYHUDNBSSA-N 1 2 314.311 2.542 20 30 DFEDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(CC#N)cc2)CC3)C1 ZINC000602986651 399650990 /nfs/dbraw/zinc/65/09/90/399650990.db2.gz JWQMDGIZDIUPAA-UHFFFAOYSA-N 1 2 321.428 2.873 20 30 DFEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(CC#N)cc2)CC3)C1 ZINC000602986651 399650993 /nfs/dbraw/zinc/65/09/93/399650993.db2.gz JWQMDGIZDIUPAA-UHFFFAOYSA-N 1 2 321.428 2.873 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000624468405 399681553 /nfs/dbraw/zinc/68/15/53/399681553.db2.gz JIQRZCKQLHIMOS-UHFFFAOYSA-N 1 2 316.449 2.511 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000612596379 399685385 /nfs/dbraw/zinc/68/53/85/399685385.db2.gz PFHGKQBJALXQQA-AWEZNQCLSA-N 1 2 314.776 2.885 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccnc(C#N)c2)c[nH+]1 ZINC000603140658 399692620 /nfs/dbraw/zinc/69/26/20/399692620.db2.gz XUGGDLBWWKJTJH-UHFFFAOYSA-N 1 2 324.388 2.516 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c1 ZINC000289671436 335062592 /nfs/dbraw/zinc/06/25/92/335062592.db2.gz NOSPKJCSYPGDIE-AVBTWRTFSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c1 ZINC000289671436 335062593 /nfs/dbraw/zinc/06/25/93/335062593.db2.gz NOSPKJCSYPGDIE-AVBTWRTFSA-N 1 2 307.459 2.983 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCN1CC(F)F ZINC000121627810 195319412 /nfs/dbraw/zinc/31/94/12/195319412.db2.gz AHRLOPQZHGNBNP-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCN1CC(F)F ZINC000121627810 195319414 /nfs/dbraw/zinc/31/94/14/195319414.db2.gz AHRLOPQZHGNBNP-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(Br)c1O ZINC000612852055 399738025 /nfs/dbraw/zinc/73/80/25/399738025.db2.gz ZPNIKKMUDYDUNU-UHFFFAOYSA-N 1 2 313.195 2.803 20 30 DFEDLO CC(=O)Nc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000123393024 195576876 /nfs/dbraw/zinc/57/68/76/195576876.db2.gz OWWJKQDJOPANGE-UHFFFAOYSA-N 1 2 305.341 2.776 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(F)F)CC1 ZINC000307880768 533340396 /nfs/dbraw/zinc/34/03/96/533340396.db2.gz OYOJXQKEKOKANA-NSHDSACASA-N 1 2 307.344 2.862 20 30 DFEDLO COCc1cc(C#N)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000603364805 399754133 /nfs/dbraw/zinc/75/41/33/399754133.db2.gz WXSNWLWJULVPQP-QGZVFWFLSA-N 1 2 309.369 2.757 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626152547 399775962 /nfs/dbraw/zinc/77/59/62/399775962.db2.gz VECGWXWNSZPDNI-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626152547 399775968 /nfs/dbraw/zinc/77/59/68/399775968.db2.gz VECGWXWNSZPDNI-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C1CCC1 ZINC000328933226 543098878 /nfs/dbraw/zinc/09/88/78/543098878.db2.gz PORHAOYOHOESMZ-OAHLLOKOSA-N 1 2 302.422 2.898 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000328987065 543099191 /nfs/dbraw/zinc/09/91/91/543099191.db2.gz HGTHVGGIGBENOX-GFCCVEGCSA-N 1 2 322.430 2.873 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCS1 ZINC000328987065 543099194 /nfs/dbraw/zinc/09/91/94/543099194.db2.gz HGTHVGGIGBENOX-GFCCVEGCSA-N 1 2 322.430 2.873 20 30 DFEDLO CC[N@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCCCC1 ZINC000604525307 399852596 /nfs/dbraw/zinc/85/25/96/399852596.db2.gz LMZXNHUMEAQZAQ-UHFFFAOYSA-N 1 2 305.344 2.603 20 30 DFEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCCCC1 ZINC000604525307 399852598 /nfs/dbraw/zinc/85/25/98/399852598.db2.gz LMZXNHUMEAQZAQ-UHFFFAOYSA-N 1 2 305.344 2.603 20 30 DFEDLO CN(CCc1ccc(F)cc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000604558425 399856247 /nfs/dbraw/zinc/85/62/47/399856247.db2.gz CKTOYFGJPWQCRJ-UHFFFAOYSA-N 1 2 324.363 2.558 20 30 DFEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000167281776 145238594 /nfs/dbraw/zinc/23/85/94/145238594.db2.gz QGDKHIJUANIWGC-AWEZNQCLSA-N 1 2 309.329 2.552 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCc3cc(Cl)ccc32)nn1 ZINC000630616797 399910657 /nfs/dbraw/zinc/91/06/57/399910657.db2.gz RYSYDYVVMBHLJJ-MRXNPFEDSA-N 1 2 300.793 2.580 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523190 399913517 /nfs/dbraw/zinc/91/35/17/399913517.db2.gz FJSSXBFLIAWUKH-SFHVURJKSA-N 1 2 313.401 2.922 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633525908 399914058 /nfs/dbraw/zinc/91/40/58/399914058.db2.gz RYRRKNSPJDPVTI-WBVHZDCISA-N 1 2 311.385 2.674 20 30 DFEDLO C=C1CC(C)(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000630908550 399946035 /nfs/dbraw/zinc/94/60/35/399946035.db2.gz PWWWZXGRINVGBT-UHFFFAOYSA-N 1 2 301.312 2.760 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCC1 ZINC000633897828 399959073 /nfs/dbraw/zinc/95/90/73/399959073.db2.gz MCIGYKGXAPVVHA-UHFFFAOYSA-N 1 2 314.429 2.783 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C1=O ZINC000628259088 400009808 /nfs/dbraw/zinc/00/98/08/400009808.db2.gz GJLIJSDAEXKVMC-LLVKDONJSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C1=O ZINC000628259088 400009809 /nfs/dbraw/zinc/00/98/09/400009809.db2.gz GJLIJSDAEXKVMC-LLVKDONJSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774793 400055987 /nfs/dbraw/zinc/05/59/87/400055987.db2.gz VTMVVEAGAMSHOU-SWLSCSKDSA-N 1 2 317.364 2.736 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246119411 146121396 /nfs/dbraw/zinc/12/13/96/146121396.db2.gz LBGMZIORWJBWEK-CHWSQXEVSA-N 1 2 321.471 2.918 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246119411 146121399 /nfs/dbraw/zinc/12/13/99/146121399.db2.gz LBGMZIORWJBWEK-CHWSQXEVSA-N 1 2 321.471 2.918 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000358352446 148338344 /nfs/dbraw/zinc/33/83/44/148338344.db2.gz JCDMIHZCRDTJQJ-INIZCTEOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000358352446 148338347 /nfs/dbraw/zinc/33/83/47/148338347.db2.gz JCDMIHZCRDTJQJ-INIZCTEOSA-N 1 2 317.408 2.824 20 30 DFEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000361073261 149023304 /nfs/dbraw/zinc/02/33/04/149023304.db2.gz MZDSIBVXHJHORZ-AWEZNQCLSA-N 1 2 305.381 2.751 20 30 DFEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000361073261 149023306 /nfs/dbraw/zinc/02/33/06/149023306.db2.gz MZDSIBVXHJHORZ-AWEZNQCLSA-N 1 2 305.381 2.751 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])CCC2 ZINC000361186539 149050457 /nfs/dbraw/zinc/05/04/57/149050457.db2.gz DSLWRDXZHBOOFB-CYBMUJFWSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000362279038 149295554 /nfs/dbraw/zinc/29/55/54/149295554.db2.gz KVWFFTTTYJIJLB-UHFFFAOYSA-N 1 2 314.414 2.762 20 30 DFEDLO N#Cc1ccc2ncc(C[NH2+][C@H]3COc4cccc(F)c43)n2c1 ZINC000367433058 149600396 /nfs/dbraw/zinc/60/03/96/149600396.db2.gz ZEAMFOWLYFUQHZ-AWEZNQCLSA-N 1 2 308.316 2.568 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369692939 149824285 /nfs/dbraw/zinc/82/42/85/149824285.db2.gz LHQDQLSGCIPOHE-UHFFFAOYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)CC2 ZINC000371319316 150022000 /nfs/dbraw/zinc/02/20/00/150022000.db2.gz PZTWCALSCMGLHC-GOSISDBHSA-N 1 2 317.392 2.722 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC[N@H+]1Cc1ccccc1)CC2 ZINC000371319316 150022002 /nfs/dbraw/zinc/02/20/02/150022002.db2.gz PZTWCALSCMGLHC-GOSISDBHSA-N 1 2 317.392 2.722 20 30 DFEDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)[nH]1 ZINC000372132914 150140584 /nfs/dbraw/zinc/14/05/84/150140584.db2.gz ZVIRTTNONIPPBL-MRXNPFEDSA-N 1 2 311.389 2.591 20 30 DFEDLO Cc1nnc([C@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)[nH]1 ZINC000372132914 150140587 /nfs/dbraw/zinc/14/05/87/150140587.db2.gz ZVIRTTNONIPPBL-MRXNPFEDSA-N 1 2 311.389 2.591 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCOC2=O)CC1 ZINC000372347146 150165222 /nfs/dbraw/zinc/16/52/22/150165222.db2.gz MFEFAMQLGWRHOV-UHFFFAOYSA-N 1 2 304.777 2.741 20 30 DFEDLO N#Cc1cccc(C#N)c1NC1CC[NH+](Cc2cscn2)CC1 ZINC000373048546 150221707 /nfs/dbraw/zinc/22/17/07/150221707.db2.gz INIGIZQGDHMTPQ-UHFFFAOYSA-N 1 2 323.425 2.963 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](C)O2 ZINC000374026316 150294527 /nfs/dbraw/zinc/29/45/27/150294527.db2.gz JOMKVWPRDUYWLM-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(F)ccc1C#N)C[C@H](C)O2 ZINC000374026316 150294531 /nfs/dbraw/zinc/29/45/31/150294531.db2.gz JOMKVWPRDUYWLM-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]2c2ccccc2F)cc1 ZINC000374104542 150306423 /nfs/dbraw/zinc/30/64/23/150306423.db2.gz APRBLHNPQYRFFT-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]2c2ccccc2F)cc1 ZINC000374104542 150306425 /nfs/dbraw/zinc/30/64/25/150306425.db2.gz APRBLHNPQYRFFT-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000374147385 150312700 /nfs/dbraw/zinc/31/27/00/150312700.db2.gz VXCWLNPZSFFCEV-UHFFFAOYSA-N 1 2 320.396 2.661 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)n1 ZINC000355076497 158267107 /nfs/dbraw/zinc/26/71/07/158267107.db2.gz CKAFIRNTRQIDKD-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C2CC2)cnn1C ZINC000668145155 543749531 /nfs/dbraw/zinc/74/95/31/543749531.db2.gz DHXBNMXYPGTTAJ-UHFFFAOYSA-N 1 2 315.417 2.961 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C2CC2)cnn1C ZINC000668145155 543749534 /nfs/dbraw/zinc/74/95/34/543749534.db2.gz DHXBNMXYPGTTAJ-UHFFFAOYSA-N 1 2 315.417 2.961 20 30 DFEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000669934424 544009322 /nfs/dbraw/zinc/00/93/22/544009322.db2.gz ZWUVKWDGMDYCFO-QGZVFWFLSA-N 1 2 312.413 2.668 20 30 DFEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000669934424 544009324 /nfs/dbraw/zinc/00/93/24/544009324.db2.gz ZWUVKWDGMDYCFO-QGZVFWFLSA-N 1 2 312.413 2.668 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669673098 543981458 /nfs/dbraw/zinc/98/14/58/543981458.db2.gz DCWTXVLVNYLSJC-HNNXBMFYSA-N 1 2 317.433 2.518 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673928142 544208846 /nfs/dbraw/zinc/20/88/46/544208846.db2.gz ZBOUIRVSYOZGPY-UHFFFAOYSA-N 1 2 316.430 2.758 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673928142 544208848 /nfs/dbraw/zinc/20/88/48/544208848.db2.gz ZBOUIRVSYOZGPY-UHFFFAOYSA-N 1 2 316.430 2.758 20 30 DFEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000677478344 544494840 /nfs/dbraw/zinc/49/48/40/544494840.db2.gz VQAVBICMVLARQE-LLVKDONJSA-N 1 2 324.222 2.516 20 30 DFEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000677478344 544494844 /nfs/dbraw/zinc/49/48/44/544494844.db2.gz VQAVBICMVLARQE-LLVKDONJSA-N 1 2 324.222 2.516 20 30 DFEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000299317488 229046623 /nfs/dbraw/zinc/04/66/23/229046623.db2.gz BHBWQFXZBFWRJH-UHFFFAOYSA-N 1 2 303.312 2.752 20 30 DFEDLO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000680428246 545007101 /nfs/dbraw/zinc/00/71/01/545007101.db2.gz XKGWTQGVQQLPSM-BXUZGUMPSA-N 1 2 305.353 2.772 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000063399039 425900605 /nfs/dbraw/zinc/90/06/05/425900605.db2.gz AWXLYLXTRSSWOB-HNNXBMFYSA-N 1 2 323.400 2.541 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1-c1ccccc1 ZINC000065959684 425903113 /nfs/dbraw/zinc/90/31/13/425903113.db2.gz ZDPLDOGWFNIMDF-UHFFFAOYSA-N 1 2 319.412 2.893 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1-c1ccccc1 ZINC000065959684 425903114 /nfs/dbraw/zinc/90/31/14/425903114.db2.gz ZDPLDOGWFNIMDF-UHFFFAOYSA-N 1 2 319.412 2.893 20 30 DFEDLO N#Cc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068422252 425917927 /nfs/dbraw/zinc/91/79/27/425917927.db2.gz MCOOJBYXDNDPRC-UHFFFAOYSA-N 1 2 308.385 2.504 20 30 DFEDLO C=C[C@H](CC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000124518775 425924314 /nfs/dbraw/zinc/92/43/14/425924314.db2.gz SCFYWFXWDFMSHJ-NVXWUHKLSA-N 1 2 309.413 2.982 20 30 DFEDLO N#Cc1cc(F)c(C(=O)Nc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000452333229 269952277 /nfs/dbraw/zinc/95/22/77/269952277.db2.gz ITJFDGLLENOEFJ-UHFFFAOYSA-N 1 2 302.284 2.622 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000156344931 425933320 /nfs/dbraw/zinc/93/33/20/425933320.db2.gz RXXMYOYVKSGBRP-CYBMUJFWSA-N 1 2 323.387 2.805 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000156344931 425933323 /nfs/dbraw/zinc/93/33/23/425933323.db2.gz RXXMYOYVKSGBRP-CYBMUJFWSA-N 1 2 323.387 2.805 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398526818 266381779 /nfs/dbraw/zinc/38/17/79/266381779.db2.gz PNSHXOADDJHUIG-RRQGHBQHSA-N 1 2 315.417 2.775 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398526818 266381781 /nfs/dbraw/zinc/38/17/81/266381781.db2.gz PNSHXOADDJHUIG-RRQGHBQHSA-N 1 2 315.417 2.775 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171700851 267049091 /nfs/dbraw/zinc/04/90/91/267049091.db2.gz VGBGMUUUACABLC-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171700851 267049093 /nfs/dbraw/zinc/04/90/93/267049093.db2.gz VGBGMUUUACABLC-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO CCN(C)c1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000459609244 267052593 /nfs/dbraw/zinc/05/25/93/267052593.db2.gz JCQUIMBZAYPKCJ-UHFFFAOYSA-N 1 2 322.412 2.673 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)Cc2cccc(C#N)c2)c[nH+]1 ZINC000530669039 267061646 /nfs/dbraw/zinc/06/16/46/267061646.db2.gz KMVLAZXKGWPGRP-UHFFFAOYSA-N 1 2 322.412 2.658 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2cscc2C#N)c[nH+]1 ZINC000432392749 267062126 /nfs/dbraw/zinc/06/21/26/267062126.db2.gz SCLAULVCNDDANC-UHFFFAOYSA-N 1 2 314.414 2.791 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277349 267107825 /nfs/dbraw/zinc/10/78/25/267107825.db2.gz KWVQDSXGAGKDMR-ZWNOBZJWSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277349 267107828 /nfs/dbraw/zinc/10/78/28/267107828.db2.gz KWVQDSXGAGKDMR-ZWNOBZJWSA-N 1 2 311.307 2.769 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCN1CC(F)F ZINC000442880021 267203595 /nfs/dbraw/zinc/20/35/95/267203595.db2.gz KJNZTPVQKABGDA-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCN1CC(F)F ZINC000442880021 267203596 /nfs/dbraw/zinc/20/35/96/267203596.db2.gz KJNZTPVQKABGDA-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@]1(CNc2cc(C)[nH+]cc2C#N)OCCc2ccccc21 ZINC000425268367 267241709 /nfs/dbraw/zinc/24/17/09/267241709.db2.gz OINSYCDYPXTTFH-LJQANCHMSA-N 1 2 307.397 2.974 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492448521 267257710 /nfs/dbraw/zinc/25/77/10/267257710.db2.gz MULBUCZBASNCCS-SREVYHEPSA-N 1 2 312.398 2.977 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000455483415 267259646 /nfs/dbraw/zinc/25/96/46/267259646.db2.gz YTFXATLKGQOVOA-JTQLQIEISA-N 1 2 301.325 2.796 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000338173181 267277755 /nfs/dbraw/zinc/27/77/55/267277755.db2.gz ANDYCDKZODUWPD-UHFFFAOYSA-N 1 2 316.364 2.982 20 30 DFEDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc(C#N)n1 ZINC000341474640 267301629 /nfs/dbraw/zinc/30/16/29/267301629.db2.gz RPSAIEMJBTXKOF-KRWDZBQOSA-N 1 2 321.359 2.758 20 30 DFEDLO C[N@H+](Cc1cnccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000437893974 267321723 /nfs/dbraw/zinc/32/17/23/267321723.db2.gz FHSZKQPFZZAYHQ-UHFFFAOYSA-N 1 2 304.300 2.582 20 30 DFEDLO C[N@@H+](Cc1cnccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000437893974 267321726 /nfs/dbraw/zinc/32/17/26/267321726.db2.gz FHSZKQPFZZAYHQ-UHFFFAOYSA-N 1 2 304.300 2.582 20 30 DFEDLO COC(=O)[C@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H]1c1ccccc1 ZINC000425267659 267390733 /nfs/dbraw/zinc/39/07/33/267390733.db2.gz MAVIGPWBIOTMCS-SJORKVTESA-N 1 2 321.380 2.655 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000414097358 267425407 /nfs/dbraw/zinc/42/54/07/267425407.db2.gz RRRNVRFJBXGNDX-VIFPVBQESA-N 1 2 319.361 2.791 20 30 DFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1C#N ZINC000028914981 425823599 /nfs/dbraw/zinc/82/35/99/425823599.db2.gz GTIKTUBKPZDQFB-ZDUSSCGKSA-N 1 2 306.369 2.749 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598861 425865694 /nfs/dbraw/zinc/86/56/94/425865694.db2.gz IXXJAXDZKFBBOI-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000046598861 425865695 /nfs/dbraw/zinc/86/56/95/425865695.db2.gz IXXJAXDZKFBBOI-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO N#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000036819234 425846665 /nfs/dbraw/zinc/84/66/65/425846665.db2.gz MLVRFHNGZWCSJE-UHFFFAOYSA-N 1 2 313.430 2.869 20 30 DFEDLO Cc1cc[nH+]c(N2CCN(Cc3cccc(F)c3C#N)CC2)c1 ZINC000428393702 268064260 /nfs/dbraw/zinc/06/42/60/268064260.db2.gz ZIHTZGDIRYLQIZ-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C\c1ccc(C#N)cc1)CCC2 ZINC000492239733 268069083 /nfs/dbraw/zinc/06/90/83/268069083.db2.gz PPBGTCDLRIIRHL-JJEJIETFSA-N 1 2 320.396 2.770 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nncn2-c2ccccc2)c(F)c1 ZINC000343272525 268075192 /nfs/dbraw/zinc/07/51/92/268075192.db2.gz VGNYOABKLLXHOE-UHFFFAOYSA-N 1 2 307.332 2.568 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000428226517 268163626 /nfs/dbraw/zinc/16/36/26/268163626.db2.gz PEIKMRZZKBWWQE-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000428226517 268163628 /nfs/dbraw/zinc/16/36/28/268163628.db2.gz PEIKMRZZKBWWQE-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451894913 268181414 /nfs/dbraw/zinc/18/14/14/268181414.db2.gz SKJQLWPXLHAWSB-MFKMUULPSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451894913 268181416 /nfs/dbraw/zinc/18/14/16/268181416.db2.gz SKJQLWPXLHAWSB-MFKMUULPSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1F ZINC000342161566 268247564 /nfs/dbraw/zinc/24/75/64/268247564.db2.gz WAOXFNWZACPONR-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)n1 ZINC000349868753 268261828 /nfs/dbraw/zinc/26/18/28/268261828.db2.gz OGKGXOIBVBJYPP-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000459496442 268291549 /nfs/dbraw/zinc/29/15/49/268291549.db2.gz XMTDHWZESJOUIX-OAHLLOKOSA-N 1 2 315.373 2.715 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000459496442 268291551 /nfs/dbraw/zinc/29/15/51/268291551.db2.gz XMTDHWZESJOUIX-OAHLLOKOSA-N 1 2 315.373 2.715 20 30 DFEDLO CC1(C)CC[N@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000332990006 268369166 /nfs/dbraw/zinc/36/91/66/268369166.db2.gz AYOQCHKWLMYPDA-UHFFFAOYSA-N 1 2 309.460 2.776 20 30 DFEDLO CC1(C)CC[N@@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000332990006 268369167 /nfs/dbraw/zinc/36/91/67/268369167.db2.gz AYOQCHKWLMYPDA-UHFFFAOYSA-N 1 2 309.460 2.776 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000125790549 425990388 /nfs/dbraw/zinc/99/03/88/425990388.db2.gz QMALRNHFHKDHAY-UHFFFAOYSA-N 1 2 305.303 2.838 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000125790549 425990390 /nfs/dbraw/zinc/99/03/90/425990390.db2.gz QMALRNHFHKDHAY-UHFFFAOYSA-N 1 2 305.303 2.838 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)C[C@@H](C)C#N ZINC000157619366 425939853 /nfs/dbraw/zinc/93/98/53/425939853.db2.gz VLYULSXPHWSSFD-AWEZNQCLSA-N 1 2 319.474 2.848 20 30 DFEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)C[C@@H](C)C#N ZINC000157619366 425939856 /nfs/dbraw/zinc/93/98/56/425939856.db2.gz VLYULSXPHWSSFD-AWEZNQCLSA-N 1 2 319.474 2.848 20 30 DFEDLO N#Cc1ccc(OC2C[NH+](CCC(=O)Nc3ccccc3)C2)cc1 ZINC000158565314 425944340 /nfs/dbraw/zinc/94/43/40/425944340.db2.gz SJGXRPJBVSTDSO-UHFFFAOYSA-N 1 2 321.380 2.650 20 30 DFEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000103488508 425949976 /nfs/dbraw/zinc/94/99/76/425949976.db2.gz NMCQOGXURCPAFA-UHFFFAOYSA-N 1 2 313.373 2.634 20 30 DFEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000103488508 425949979 /nfs/dbraw/zinc/94/99/79/425949979.db2.gz NMCQOGXURCPAFA-UHFFFAOYSA-N 1 2 313.373 2.634 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000126075336 426004768 /nfs/dbraw/zinc/00/47/68/426004768.db2.gz YDXBENMOXMWOOM-ZBFHGGJFSA-N 1 2 324.384 2.509 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125416815 425970611 /nfs/dbraw/zinc/97/06/11/425970611.db2.gz ZWWDDGPUBCKMGQ-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125416815 425970613 /nfs/dbraw/zinc/97/06/13/425970613.db2.gz ZWWDDGPUBCKMGQ-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1C#N ZINC000106243000 425972096 /nfs/dbraw/zinc/97/20/96/425972096.db2.gz JABDJBHRFJQARI-MNOVXSKESA-N 1 2 300.387 2.693 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1C ZINC000125530651 425977310 /nfs/dbraw/zinc/97/73/10/425977310.db2.gz YQRIMSREPIMSTR-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1C ZINC000125530651 425977314 /nfs/dbraw/zinc/97/73/14/425977314.db2.gz YQRIMSREPIMSTR-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000161690916 426035682 /nfs/dbraw/zinc/03/56/82/426035682.db2.gz DBLMFFPGSPWAAV-UHFFFAOYSA-N 1 2 320.396 2.661 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000128280791 426111560 /nfs/dbraw/zinc/11/15/60/426111560.db2.gz AAVRLJRWCMAUHR-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000128495058 426119836 /nfs/dbraw/zinc/11/98/36/426119836.db2.gz LZKGGUIKHXRQSU-CQSZACIVSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000128495058 426119839 /nfs/dbraw/zinc/11/98/39/426119839.db2.gz LZKGGUIKHXRQSU-CQSZACIVSA-N 1 2 315.398 2.759 20 30 DFEDLO N#Cc1ccc(N2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000168554342 426135589 /nfs/dbraw/zinc/13/55/89/426135589.db2.gz NTVLXCILINNDRJ-UHFFFAOYSA-N 1 2 303.163 2.537 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559600 426073006 /nfs/dbraw/zinc/07/30/06/426073006.db2.gz VUCUVMBKIDIZTR-GJZGRUSLSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559600 426073009 /nfs/dbraw/zinc/07/30/09/426073009.db2.gz VUCUVMBKIDIZTR-GJZGRUSLSA-N 1 2 319.355 2.520 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560210 426083259 /nfs/dbraw/zinc/08/32/59/426083259.db2.gz WGBFTPNPFAQOEH-LSDHHAIUSA-N 1 2 320.437 2.761 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560210 426083261 /nfs/dbraw/zinc/08/32/61/426083261.db2.gz WGBFTPNPFAQOEH-LSDHHAIUSA-N 1 2 320.437 2.761 20 30 DFEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000127739683 426084268 /nfs/dbraw/zinc/08/42/68/426084268.db2.gz NAMKNICWBNPVDL-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000127739683 426084271 /nfs/dbraw/zinc/08/42/71/426084271.db2.gz NAMKNICWBNPVDL-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000134948960 426201426 /nfs/dbraw/zinc/20/14/26/426201426.db2.gz VBKGHWHNNRNFGS-RDTXWAMCSA-N 1 2 317.433 2.525 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000134948980 426201446 /nfs/dbraw/zinc/20/14/46/426201446.db2.gz VBKGHWHNNRNFGS-KDOFPFPSSA-N 1 2 317.433 2.525 20 30 DFEDLO C[N@H+](Cc1ccc(Cl)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532144 426166124 /nfs/dbraw/zinc/16/61/24/426166124.db2.gz ZOQKUDGPDIQWKF-AWEZNQCLSA-N 1 2 319.817 2.932 20 30 DFEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532144 426166125 /nfs/dbraw/zinc/16/61/25/426166125.db2.gz ZOQKUDGPDIQWKF-AWEZNQCLSA-N 1 2 319.817 2.932 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000131730754 426166444 /nfs/dbraw/zinc/16/64/44/426166444.db2.gz BIEYOAHWAKHXIT-OAHLLOKOSA-N 1 2 304.438 2.620 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000131730754 426166446 /nfs/dbraw/zinc/16/64/46/426166446.db2.gz BIEYOAHWAKHXIT-OAHLLOKOSA-N 1 2 304.438 2.620 20 30 DFEDLO C[N@H+](Cc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531625 426166631 /nfs/dbraw/zinc/16/66/31/426166631.db2.gz BOVVPKKLYMIHOH-MRXNPFEDSA-N 1 2 313.788 2.870 20 30 DFEDLO C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531625 426166632 /nfs/dbraw/zinc/16/66/32/426166632.db2.gz BOVVPKKLYMIHOH-MRXNPFEDSA-N 1 2 313.788 2.870 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCC1 ZINC000134482018 426186063 /nfs/dbraw/zinc/18/60/63/426186063.db2.gz ACIDYZMSOZQUII-XBXARRHUSA-N 1 2 309.413 2.538 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000134910123 426199046 /nfs/dbraw/zinc/19/90/46/426199046.db2.gz UWRQCOLPDVRWEP-LJQANCHMSA-N 1 2 316.445 2.737 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2n1CCCCC2 ZINC000135676638 426226234 /nfs/dbraw/zinc/22/62/34/426226234.db2.gz JVTCVWSNTAVHSS-NSHDSACASA-N 1 2 301.419 2.788 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000172537789 426227920 /nfs/dbraw/zinc/22/79/20/426227920.db2.gz XVGNELPSIVYQBN-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000172537789 426227921 /nfs/dbraw/zinc/22/79/21/426227921.db2.gz XVGNELPSIVYQBN-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccccc1 ZINC000083168750 426229257 /nfs/dbraw/zinc/22/92/57/426229257.db2.gz MCPPBQMVODMICI-GOSISDBHSA-N 1 2 308.381 2.947 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1 ZINC000083168750 426229260 /nfs/dbraw/zinc/22/92/60/426229260.db2.gz MCPPBQMVODMICI-GOSISDBHSA-N 1 2 308.381 2.947 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000084071980 426232193 /nfs/dbraw/zinc/23/21/93/426232193.db2.gz SFJLOZQMSCGLDG-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000084071980 426232195 /nfs/dbraw/zinc/23/21/95/426232195.db2.gz SFJLOZQMSCGLDG-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO C=CCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000175116766 426280731 /nfs/dbraw/zinc/28/07/31/426280731.db2.gz DXMWKLXZKABBFI-UHFFFAOYSA-N 1 2 302.418 2.566 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OCCCC#N ZINC000091917886 426345176 /nfs/dbraw/zinc/34/51/76/426345176.db2.gz GPGSGQDBLVBSFK-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OCCCC#N ZINC000091917886 426345179 /nfs/dbraw/zinc/34/51/79/426345179.db2.gz GPGSGQDBLVBSFK-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000121508647 426348206 /nfs/dbraw/zinc/34/82/06/426348206.db2.gz IMUGODMJSBZZMC-UHFFFAOYSA-N 1 2 305.403 2.751 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000121508647 426348210 /nfs/dbraw/zinc/34/82/10/426348210.db2.gz IMUGODMJSBZZMC-UHFFFAOYSA-N 1 2 305.403 2.751 20 30 DFEDLO C=CC[N@H+](Cc1cnc2cnccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646238 426351862 /nfs/dbraw/zinc/35/18/62/426351862.db2.gz HOWPBHVWSSEUKO-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO C=CC[N@@H+](Cc1cnc2cnccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646238 426351864 /nfs/dbraw/zinc/35/18/64/426351864.db2.gz HOWPBHVWSSEUKO-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000092674891 426351904 /nfs/dbraw/zinc/35/19/04/426351904.db2.gz FMSPWDANEZAWHC-LJQANCHMSA-N 1 2 322.408 2.925 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000092674891 426351907 /nfs/dbraw/zinc/35/19/07/426351907.db2.gz FMSPWDANEZAWHC-LJQANCHMSA-N 1 2 322.408 2.925 20 30 DFEDLO CCCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OCC ZINC000092936315 426353046 /nfs/dbraw/zinc/35/30/46/426353046.db2.gz JWNPNJADAMUXLZ-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO CCOCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000093314138 426354134 /nfs/dbraw/zinc/35/41/34/426354134.db2.gz MJMCHDUVABYHJB-UHFFFAOYSA-N 1 2 313.401 2.706 20 30 DFEDLO CCOCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000093314138 426354136 /nfs/dbraw/zinc/35/41/36/426354136.db2.gz MJMCHDUVABYHJB-UHFFFAOYSA-N 1 2 313.401 2.706 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000093563408 426356696 /nfs/dbraw/zinc/35/66/96/426356696.db2.gz WERYUWKIYWVNIF-AWEZNQCLSA-N 1 2 316.401 2.895 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000093563408 426356699 /nfs/dbraw/zinc/35/66/99/426356699.db2.gz WERYUWKIYWVNIF-AWEZNQCLSA-N 1 2 316.401 2.895 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000122587762 426382296 /nfs/dbraw/zinc/38/22/96/426382296.db2.gz JYMLLYSXRSSWPT-HNNXBMFYSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000122587762 426382301 /nfs/dbraw/zinc/38/23/01/426382301.db2.gz JYMLLYSXRSSWPT-HNNXBMFYSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccccc1Cl ZINC000153581661 426393498 /nfs/dbraw/zinc/39/34/98/426393498.db2.gz QTEOZKBCJBGSOE-GFCCVEGCSA-N 1 2 323.824 2.562 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl ZINC000153581661 426393502 /nfs/dbraw/zinc/39/35/02/426393502.db2.gz QTEOZKBCJBGSOE-GFCCVEGCSA-N 1 2 323.824 2.562 20 30 DFEDLO C=CCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000153863847 426410142 /nfs/dbraw/zinc/41/01/42/426410142.db2.gz VOKXZOWWQZSCKQ-UHFFFAOYSA-N 1 2 302.422 2.645 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cn(-c2ccccc2)nn1 ZINC000154051105 426421544 /nfs/dbraw/zinc/42/15/44/426421544.db2.gz CILTXIOFYHNNNS-UHFFFAOYSA-N 1 2 307.357 2.757 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000176985344 426431518 /nfs/dbraw/zinc/43/15/18/426431518.db2.gz HAFILUVPEPPWLU-CQSZACIVSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000176985344 426431522 /nfs/dbraw/zinc/43/15/22/426431522.db2.gz HAFILUVPEPPWLU-CQSZACIVSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)s1 ZINC000340842153 269021114 /nfs/dbraw/zinc/02/11/14/269021114.db2.gz VBZJIQHCBOKHRK-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000154659925 426449849 /nfs/dbraw/zinc/44/98/49/426449849.db2.gz WWNPFOWBGWNIJP-ZDUSSCGKSA-N 1 2 323.387 2.757 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000154659925 426449851 /nfs/dbraw/zinc/44/98/51/426449851.db2.gz WWNPFOWBGWNIJP-ZDUSSCGKSA-N 1 2 323.387 2.757 20 30 DFEDLO CC(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177175656 426451574 /nfs/dbraw/zinc/45/15/74/426451574.db2.gz OMBPGEAKTYFVCS-UHFFFAOYSA-N 1 2 318.848 2.882 20 30 DFEDLO CC(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177175656 426451577 /nfs/dbraw/zinc/45/15/77/426451577.db2.gz OMBPGEAKTYFVCS-UHFFFAOYSA-N 1 2 318.848 2.882 20 30 DFEDLO N#CCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000154865674 426458575 /nfs/dbraw/zinc/45/85/75/426458575.db2.gz BCBNJEWTZYIVNY-UHFFFAOYSA-N 1 2 306.797 2.793 20 30 DFEDLO N#CCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000154865674 426458578 /nfs/dbraw/zinc/45/85/78/426458578.db2.gz BCBNJEWTZYIVNY-UHFFFAOYSA-N 1 2 306.797 2.793 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000155275764 426468156 /nfs/dbraw/zinc/46/81/56/426468156.db2.gz ZVOPDELRFHLVNX-XJKSGUPXSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000155275764 426468159 /nfs/dbraw/zinc/46/81/59/426468159.db2.gz ZVOPDELRFHLVNX-XJKSGUPXSA-N 1 2 303.381 2.803 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000177342056 426470258 /nfs/dbraw/zinc/47/02/58/426470258.db2.gz BAPQWJXFWQHDGJ-UHFFFAOYSA-N 1 2 320.458 2.750 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000098072134 426476954 /nfs/dbraw/zinc/47/69/54/426476954.db2.gz CAIMRAZDYLCQGU-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000098072134 426476957 /nfs/dbraw/zinc/47/69/57/426476957.db2.gz CAIMRAZDYLCQGU-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)C(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000264229192 426521095 /nfs/dbraw/zinc/52/10/95/426521095.db2.gz LXQPMVBYXAYJHI-ZDUSSCGKSA-N 1 2 301.390 2.568 20 30 DFEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nncn2C)ccc1OC ZINC000264234025 426523599 /nfs/dbraw/zinc/52/35/99/426523599.db2.gz CKXLQCXSPDGGFV-ZDUSSCGKSA-N 1 2 316.405 2.629 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000194838597 426493680 /nfs/dbraw/zinc/49/36/80/426493680.db2.gz VWUWVZBTTKBEQF-UHFFFAOYSA-N 1 2 318.380 2.575 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000265145238 426587344 /nfs/dbraw/zinc/58/73/44/426587344.db2.gz OWPFRZSZHVKBMZ-WXSRTPMLSA-N 1 2 318.417 2.857 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000264472939 426559313 /nfs/dbraw/zinc/55/93/13/426559313.db2.gz OBUNMNLRHPVLQE-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000264478795 426561120 /nfs/dbraw/zinc/56/11/20/426561120.db2.gz PNMUAZSZPGDXIX-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)s1 ZINC000265448535 426639031 /nfs/dbraw/zinc/63/90/31/426639031.db2.gz SRNHTIJSTMVGPU-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C[C@]([NH2+]Cc1ccc(Cl)cc1C#N)(C(N)=O)c1ccccc1 ZINC000187222041 426639559 /nfs/dbraw/zinc/63/95/59/426639559.db2.gz KYNZEMGVYVOXET-QGZVFWFLSA-N 1 2 313.788 2.702 20 30 DFEDLO C=CCCC[N@@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265592293 426658245 /nfs/dbraw/zinc/65/82/45/426658245.db2.gz IHCFLTJVOUEDCY-UHFFFAOYSA-N 1 2 311.451 2.540 20 30 DFEDLO C=CCCC[N@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265592293 426658251 /nfs/dbraw/zinc/65/82/51/426658251.db2.gz IHCFLTJVOUEDCY-UHFFFAOYSA-N 1 2 311.451 2.540 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(F)c1C#N ZINC000187487003 426666412 /nfs/dbraw/zinc/66/64/12/426666412.db2.gz ARQBGRUGDLWZJP-UHFFFAOYSA-N 1 2 322.343 2.786 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000187548229 426671737 /nfs/dbraw/zinc/67/17/37/426671737.db2.gz RTXNVXPCZBDVMJ-QGZVFWFLSA-N 1 2 323.820 2.896 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000187548229 426671742 /nfs/dbraw/zinc/67/17/42/426671742.db2.gz RTXNVXPCZBDVMJ-QGZVFWFLSA-N 1 2 323.820 2.896 20 30 DFEDLO N#CC[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000265674914 426672982 /nfs/dbraw/zinc/67/29/82/426672982.db2.gz BUUZVGCRQRNTCX-MRXNPFEDSA-N 1 2 322.836 2.986 20 30 DFEDLO N#CC[N@H+](C[C@@H](O)COCc1ccccc1Cl)C1CCCC1 ZINC000265674914 426672986 /nfs/dbraw/zinc/67/29/86/426672986.db2.gz BUUZVGCRQRNTCX-MRXNPFEDSA-N 1 2 322.836 2.986 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178724358 426683043 /nfs/dbraw/zinc/68/30/43/426683043.db2.gz GMYSUNSUJUBVNT-QGZVFWFLSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178724358 426683048 /nfs/dbraw/zinc/68/30/48/426683048.db2.gz GMYSUNSUJUBVNT-QGZVFWFLSA-N 1 2 309.369 2.697 20 30 DFEDLO CC(C)CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000187074787 426626394 /nfs/dbraw/zinc/62/63/94/426626394.db2.gz ZMIZYQGBECBMRZ-UHFFFAOYSA-N 1 2 313.445 2.788 20 30 DFEDLO CC(C)CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000187074787 426626402 /nfs/dbraw/zinc/62/64/02/426626402.db2.gz ZMIZYQGBECBMRZ-UHFFFAOYSA-N 1 2 313.445 2.788 20 30 DFEDLO N#Cc1cc2c(nc1NC(=O)c1ccc3[nH+]ccn3c1)CCCC2 ZINC000187114423 426630642 /nfs/dbraw/zinc/63/06/42/426630642.db2.gz DVXBEOZXNQANGY-UHFFFAOYSA-N 1 2 317.352 2.732 20 30 DFEDLO C#Cc1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000265778730 426688512 /nfs/dbraw/zinc/68/85/12/426688512.db2.gz QHSQNNSAZADJHG-UHFFFAOYSA-N 1 2 320.392 2.752 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000178758227 426688898 /nfs/dbraw/zinc/68/88/98/426688898.db2.gz QPAHNHQHVPWFEU-MRXNPFEDSA-N 1 2 320.396 2.508 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000281350023 426714953 /nfs/dbraw/zinc/71/49/53/426714953.db2.gz NBROHZNPRTZZCG-RKDXNWHRSA-N 1 2 319.352 2.599 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1OCCCC#N ZINC000245542864 426750005 /nfs/dbraw/zinc/75/00/05/426750005.db2.gz QFWIIQQEJNZEOB-LSDHHAIUSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1OCCCC#N ZINC000245542864 426750010 /nfs/dbraw/zinc/75/00/10/426750010.db2.gz QFWIIQQEJNZEOB-LSDHHAIUSA-N 1 2 318.417 2.987 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245709506 426766068 /nfs/dbraw/zinc/76/60/68/426766068.db2.gz SNWSGHKXNZKSOS-UVBJJODRSA-N 1 2 323.387 2.974 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245709506 426766072 /nfs/dbraw/zinc/76/60/72/426766072.db2.gz SNWSGHKXNZKSOS-UVBJJODRSA-N 1 2 323.387 2.974 20 30 DFEDLO C#CC[N@@H+](CC)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000266930425 426798166 /nfs/dbraw/zinc/79/81/66/426798166.db2.gz OKMAYPQWBQSGHG-UHFFFAOYSA-N 1 2 300.431 2.607 20 30 DFEDLO C#CC[N@H+](CC)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000266930425 426798170 /nfs/dbraw/zinc/79/81/70/426798170.db2.gz OKMAYPQWBQSGHG-UHFFFAOYSA-N 1 2 300.431 2.607 20 30 DFEDLO CCc1cc2c(C[N@H+](CC)CCC#N)cc(=O)oc2cc1O ZINC000266968599 426806365 /nfs/dbraw/zinc/80/63/65/426806365.db2.gz ZGFAFTSESSMYRJ-UHFFFAOYSA-N 1 2 300.358 2.797 20 30 DFEDLO CCc1cc2c(C[N@@H+](CC)CCC#N)cc(=O)oc2cc1O ZINC000266968599 426806367 /nfs/dbraw/zinc/80/63/67/426806367.db2.gz ZGFAFTSESSMYRJ-UHFFFAOYSA-N 1 2 300.358 2.797 20 30 DFEDLO CCOC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246296213 426818641 /nfs/dbraw/zinc/81/86/41/426818641.db2.gz BLDARKFAJFHUBS-DOTOQJQBSA-N 1 2 316.401 2.521 20 30 DFEDLO CCOC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246296213 426818645 /nfs/dbraw/zinc/81/86/45/426818645.db2.gz BLDARKFAJFHUBS-DOTOQJQBSA-N 1 2 316.401 2.521 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000246332615 426821298 /nfs/dbraw/zinc/82/12/98/426821298.db2.gz KEGOLESWSBXHQK-MEDUHNTESA-N 1 2 320.462 2.561 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000246332615 426821302 /nfs/dbraw/zinc/82/13/02/426821302.db2.gz KEGOLESWSBXHQK-MEDUHNTESA-N 1 2 320.462 2.561 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000282145108 426838051 /nfs/dbraw/zinc/83/80/51/426838051.db2.gz HFVDPIXSVLHABI-INIZCTEOSA-N 1 2 314.433 2.529 20 30 DFEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)ccc1OC ZINC000275789021 426917553 /nfs/dbraw/zinc/91/75/53/426917553.db2.gz ITBXLLFHPHKZOR-ZDUSSCGKSA-N 1 2 316.405 2.629 20 30 DFEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c[nH]1 ZINC000181192925 426924663 /nfs/dbraw/zinc/92/46/63/426924663.db2.gz HEBGDPCCTHPDHM-UHFFFAOYSA-N 1 2 311.732 2.978 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246970615 426886202 /nfs/dbraw/zinc/88/62/02/426886202.db2.gz RWEXYOCWMGAWFC-CRAIPNDOSA-N 1 2 315.417 2.924 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246970615 426886210 /nfs/dbraw/zinc/88/62/10/426886210.db2.gz RWEXYOCWMGAWFC-CRAIPNDOSA-N 1 2 315.417 2.924 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247050688 426898881 /nfs/dbraw/zinc/89/88/81/426898881.db2.gz TXYMWGUTAPHPTF-LSDHHAIUSA-N 1 2 322.474 2.982 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247050688 426898886 /nfs/dbraw/zinc/89/88/86/426898886.db2.gz TXYMWGUTAPHPTF-LSDHHAIUSA-N 1 2 322.474 2.982 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247093832 426904210 /nfs/dbraw/zinc/90/42/10/426904210.db2.gz WEXDIHMTLMCFGD-KGLIPLIRSA-N 1 2 323.799 2.890 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247093832 426904213 /nfs/dbraw/zinc/90/42/13/426904213.db2.gz WEXDIHMTLMCFGD-KGLIPLIRSA-N 1 2 323.799 2.890 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247093811 426904892 /nfs/dbraw/zinc/90/48/92/426904892.db2.gz WEXDIHMTLMCFGD-KBPBESRZSA-N 1 2 323.799 2.890 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247093811 426904898 /nfs/dbraw/zinc/90/48/98/426904898.db2.gz WEXDIHMTLMCFGD-KBPBESRZSA-N 1 2 323.799 2.890 20 30 DFEDLO Cc1cncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000189833897 426960816 /nfs/dbraw/zinc/96/08/16/426960816.db2.gz IILODQXTSPDKSE-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NC[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000291718139 426961393 /nfs/dbraw/zinc/96/13/93/426961393.db2.gz WJRJWKSHULXEDZ-CQSZACIVSA-N 1 2 310.401 2.548 20 30 DFEDLO C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000268253455 426967805 /nfs/dbraw/zinc/96/78/05/426967805.db2.gz KNYYMAVSTCXOTH-BXUZGUMPSA-N 1 2 301.781 2.891 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000276036919 426971014 /nfs/dbraw/zinc/97/10/14/426971014.db2.gz VLMPXRCZCHZWFY-KSSFIOAISA-N 1 2 317.433 2.730 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H](C)CC ZINC000181652947 426973705 /nfs/dbraw/zinc/97/37/05/426973705.db2.gz KXTGNAXIPGHUAY-XJKSGUPXSA-N 1 2 304.390 2.504 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(C(F)F)CC1 ZINC000328601942 426980569 /nfs/dbraw/zinc/98/05/69/426980569.db2.gz GJUVRSAPWUIZKN-LBPRGKRZSA-N 1 2 312.364 2.652 20 30 DFEDLO C#CCCCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000268295967 426981239 /nfs/dbraw/zinc/98/12/39/426981239.db2.gz OLPKOOJACRMBJH-UHFFFAOYSA-N 1 2 310.401 2.534 20 30 DFEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1cn2ccccc2[nH+]1 ZINC000328688412 426987233 /nfs/dbraw/zinc/98/72/33/426987233.db2.gz ZWNMCDGFFBAIEO-CYBMUJFWSA-N 1 2 309.373 2.644 20 30 DFEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328700160 426989245 /nfs/dbraw/zinc/98/92/45/426989245.db2.gz VZFBZSLZCNUGCR-ZDUSSCGKSA-N 1 2 321.421 2.748 20 30 DFEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328700160 426989249 /nfs/dbraw/zinc/98/92/49/426989249.db2.gz VZFBZSLZCNUGCR-ZDUSSCGKSA-N 1 2 321.421 2.748 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2ccn(C3CCCC3)n2)cc1 ZINC000268581807 427060282 /nfs/dbraw/zinc/06/02/82/427060282.db2.gz KQZUXECNPNOQCM-UHFFFAOYSA-N 1 2 314.389 2.844 20 30 DFEDLO O=C(NC[C@@H](CO)CC1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328785904 426999333 /nfs/dbraw/zinc/99/93/33/426999333.db2.gz KPRZFCKUOGWCAV-GJZGRUSLSA-N 1 2 305.422 2.591 20 30 DFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1[nH]cc[nH+]1 ZINC000328814189 427001808 /nfs/dbraw/zinc/00/18/08/427001808.db2.gz GEMUGFZDRAJJPJ-SNVBAGLBSA-N 1 2 306.391 2.573 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328837844 427005693 /nfs/dbraw/zinc/00/56/93/427005693.db2.gz XXVBJTUDARJDCT-UHFFFAOYSA-N 1 2 303.318 2.609 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCCO1 ZINC000328879619 427006959 /nfs/dbraw/zinc/00/69/59/427006959.db2.gz KCVVGXWLXYCOKM-LLVKDONJSA-N 1 2 309.435 2.721 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCCO1 ZINC000328879619 427006963 /nfs/dbraw/zinc/00/69/63/427006963.db2.gz KCVVGXWLXYCOKM-LLVKDONJSA-N 1 2 309.435 2.721 20 30 DFEDLO Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328916364 427013806 /nfs/dbraw/zinc/01/38/06/427013806.db2.gz AKNSIOUOZOTNST-ZWNOBZJWSA-N 1 2 302.378 2.811 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000328951222 427015270 /nfs/dbraw/zinc/01/52/70/427015270.db2.gz CLSLFUDIJQCPAD-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000328951222 427015274 /nfs/dbraw/zinc/01/52/74/427015274.db2.gz CLSLFUDIJQCPAD-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000329023860 427027087 /nfs/dbraw/zinc/02/70/87/427027087.db2.gz IWTPGRXKKSQXAP-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1C ZINC000329023860 427027097 /nfs/dbraw/zinc/02/70/97/427027097.db2.gz IWTPGRXKKSQXAP-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000329023857 427027613 /nfs/dbraw/zinc/02/76/13/427027613.db2.gz IWTPGRXKKSQXAP-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000329023857 427027617 /nfs/dbraw/zinc/02/76/17/427027617.db2.gz IWTPGRXKKSQXAP-CABCVRRESA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000329025957 427028830 /nfs/dbraw/zinc/02/88/30/427028830.db2.gz JQRXTLRCQHXBGW-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000329025957 427028836 /nfs/dbraw/zinc/02/88/36/427028836.db2.gz JQRXTLRCQHXBGW-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCc3ccccc3[C@H]2CO)cn2ccccc12 ZINC000268473007 427028977 /nfs/dbraw/zinc/02/89/77/427028977.db2.gz IRYFPWUNHDQNKF-HXUWFJFHSA-N 1 2 317.392 2.903 20 30 DFEDLO N#Cc1c(C[N@H+]2CCc3ccccc3[C@H]2CO)cn2ccccc12 ZINC000268473007 427028985 /nfs/dbraw/zinc/02/89/85/427028985.db2.gz IRYFPWUNHDQNKF-HXUWFJFHSA-N 1 2 317.392 2.903 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCC[C@H]3[C@H]3CCCO3)ccc2[nH+]1 ZINC000329021866 427028993 /nfs/dbraw/zinc/02/89/93/427028993.db2.gz MJCPIJUFOSLSNB-LSDHHAIUSA-N 1 2 314.389 2.832 20 30 DFEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000329042693 427030199 /nfs/dbraw/zinc/03/01/99/427030199.db2.gz TZOBILDEXFUZEI-GUTXKFCHSA-N 1 2 305.422 2.996 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)[C@@H]1C ZINC000329087290 427039944 /nfs/dbraw/zinc/03/99/44/427039944.db2.gz VFNXIBPCRFOLKI-XLMAVXFVSA-N 1 2 324.465 2.649 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)[C@@H]1C ZINC000329087290 427039948 /nfs/dbraw/zinc/03/99/48/427039948.db2.gz VFNXIBPCRFOLKI-XLMAVXFVSA-N 1 2 324.465 2.649 20 30 DFEDLO CCC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCOCC1 ZINC000329095224 427043172 /nfs/dbraw/zinc/04/31/72/427043172.db2.gz KSYWKDUXLPENDD-INIZCTEOSA-N 1 2 324.465 2.793 20 30 DFEDLO CCC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCOCC1 ZINC000329095224 427043180 /nfs/dbraw/zinc/04/31/80/427043180.db2.gz KSYWKDUXLPENDD-INIZCTEOSA-N 1 2 324.465 2.793 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000276350715 427043487 /nfs/dbraw/zinc/04/34/87/427043487.db2.gz HMEKCKQTGUZTAZ-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO Cc1nsc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N ZINC000283627434 427045874 /nfs/dbraw/zinc/04/58/74/427045874.db2.gz TVJCJLPRISZYPN-QWRGUYRKSA-N 1 2 308.451 2.623 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000329110079 427045928 /nfs/dbraw/zinc/04/59/28/427045928.db2.gz QEYKEOHYOKWJAH-RRFJBIMHSA-N 1 2 320.437 2.564 20 30 DFEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC000329345583 427096559 /nfs/dbraw/zinc/09/65/59/427096559.db2.gz QXNRHOOIBCNORF-OAHLLOKOSA-N 1 2 323.481 2.714 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000268721362 427102626 /nfs/dbraw/zinc/10/26/26/427102626.db2.gz ORSJDSNFGHZYDY-SMDDNHRTSA-N 1 2 321.808 2.649 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000268721362 427102630 /nfs/dbraw/zinc/10/26/30/427102630.db2.gz ORSJDSNFGHZYDY-SMDDNHRTSA-N 1 2 321.808 2.649 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249280065 427104964 /nfs/dbraw/zinc/10/49/64/427104964.db2.gz NGWZEVIPPHQMEW-APWZRJJASA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249280065 427104967 /nfs/dbraw/zinc/10/49/67/427104967.db2.gz NGWZEVIPPHQMEW-APWZRJJASA-N 1 2 324.428 2.834 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329434909 427116289 /nfs/dbraw/zinc/11/62/89/427116289.db2.gz IPYOUSCNCFTRDH-LBPRGKRZSA-N 1 2 314.345 2.911 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329457380 427118564 /nfs/dbraw/zinc/11/85/64/427118564.db2.gz QPOWNWBDXPHKJY-KBMXLJTQSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329457380 427118570 /nfs/dbraw/zinc/11/85/70/427118570.db2.gz QPOWNWBDXPHKJY-KBMXLJTQSA-N 1 2 310.438 2.544 20 30 DFEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)C(C)C ZINC000276996896 427130953 /nfs/dbraw/zinc/13/09/53/427130953.db2.gz XUSGYIAVAPNJFK-KRWDZBQOSA-N 1 2 319.497 2.821 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329531890 427134328 /nfs/dbraw/zinc/13/43/28/427134328.db2.gz WUEKOQSZRKSNJS-OIISXLGYSA-N 1 2 324.465 2.790 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329531890 427134332 /nfs/dbraw/zinc/13/43/32/427134332.db2.gz WUEKOQSZRKSNJS-OIISXLGYSA-N 1 2 324.465 2.790 20 30 DFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCCSC1 ZINC000329544471 427137716 /nfs/dbraw/zinc/13/77/16/427137716.db2.gz YTSLDTOLTVEKDR-ZDUSSCGKSA-N 1 2 321.446 2.958 20 30 DFEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@@H](C2CC2)C1 ZINC000329542704 427138087 /nfs/dbraw/zinc/13/80/87/427138087.db2.gz DXYLEFSCJPQJTG-CZUORRHYSA-N 1 2 304.438 2.864 20 30 DFEDLO COc1ccc([C@H](NCc2ccc(C#N)o2)c2[nH+]ccn2C)cc1 ZINC000174260056 271135211 /nfs/dbraw/zinc/13/52/11/271135211.db2.gz AYUIYUMEIACAKS-KRWDZBQOSA-N 1 2 322.368 2.773 20 30 DFEDLO C=C[C@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190996882 427228808 /nfs/dbraw/zinc/22/88/08/427228808.db2.gz WBBQCABJXUQHKP-LJQANCHMSA-N 1 2 315.461 2.975 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000277527548 427233965 /nfs/dbraw/zinc/23/39/65/427233965.db2.gz ABGWVRCDONIUJJ-CZUORRHYSA-N 1 2 317.433 2.933 20 30 DFEDLO CCc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1C ZINC000330606581 427271673 /nfs/dbraw/zinc/27/16/73/427271673.db2.gz NXSDUMLPWIBJPT-CQSZACIVSA-N 1 2 305.422 2.604 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000285573612 427274606 /nfs/dbraw/zinc/27/46/06/427274606.db2.gz GUSBICYGVZZZQQ-LRDDRELGSA-N 1 2 312.348 2.617 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330637261 427279176 /nfs/dbraw/zinc/27/91/76/427279176.db2.gz FYQUIVUCTJIFRT-HNNXBMFYSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330637261 427279184 /nfs/dbraw/zinc/27/91/84/427279184.db2.gz FYQUIVUCTJIFRT-HNNXBMFYSA-N 1 2 303.381 2.578 20 30 DFEDLO C#CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000270393368 427343721 /nfs/dbraw/zinc/34/37/21/427343721.db2.gz IJLMQYOBKLFCPU-KRWDZBQOSA-N 1 2 322.412 2.947 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277704474 427290462 /nfs/dbraw/zinc/29/04/62/427290462.db2.gz HYAWGOKALRHKNK-SMDDNHRTSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277704474 427290465 /nfs/dbraw/zinc/29/04/65/427290465.db2.gz HYAWGOKALRHKNK-SMDDNHRTSA-N 1 2 316.298 2.833 20 30 DFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccncc1 ZINC000271010590 427371570 /nfs/dbraw/zinc/37/15/70/427371570.db2.gz LVRUOBPXJQYUIZ-UHFFFAOYSA-N 1 2 312.373 2.624 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccncc1 ZINC000271010590 427371574 /nfs/dbraw/zinc/37/15/74/427371574.db2.gz LVRUOBPXJQYUIZ-UHFFFAOYSA-N 1 2 312.373 2.624 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000331360491 427401156 /nfs/dbraw/zinc/40/11/56/427401156.db2.gz XWRACEJZBAKQRK-IHRRRGAJSA-N 1 2 301.390 2.613 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000286058470 427412086 /nfs/dbraw/zinc/41/20/86/427412086.db2.gz RPEZQQKBMRZPMB-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)(F)F ZINC000192138159 427488088 /nfs/dbraw/zinc/48/80/88/427488088.db2.gz MLNXXIVYJPQYMO-NSHDSACASA-N 1 2 315.314 2.766 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)(F)F ZINC000192138159 427488094 /nfs/dbraw/zinc/48/80/94/427488094.db2.gz MLNXXIVYJPQYMO-NSHDSACASA-N 1 2 315.314 2.766 20 30 DFEDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(C#N)s3)n2)c1 ZINC000278800871 427458192 /nfs/dbraw/zinc/45/81/92/427458192.db2.gz RKQLDUKVMPWRIP-LLVKDONJSA-N 1 2 324.413 2.959 20 30 DFEDLO Cc1ccc(C#N)c(Nc2ccc([NH+]3CCC(O)CC3)cc2)n1 ZINC000286310228 427486383 /nfs/dbraw/zinc/48/63/83/427486383.db2.gz ZAGBUIRJSLCEEI-UHFFFAOYSA-N 1 2 308.385 2.966 20 30 DFEDLO N#Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)cc(N)c1[N+](=O)[O-] ZINC000338639629 427421921 /nfs/dbraw/zinc/42/19/21/427421921.db2.gz RDVNPVOCUQIRHU-UHFFFAOYSA-N 1 2 322.328 2.580 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnnn1C1CC1 ZINC000297952519 427492191 /nfs/dbraw/zinc/49/21/91/427492191.db2.gz SZWLFHJSEOESBT-CYBMUJFWSA-N 1 2 310.405 2.853 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnnn1C1CC1 ZINC000297952519 427492196 /nfs/dbraw/zinc/49/21/96/427492196.db2.gz SZWLFHJSEOESBT-CYBMUJFWSA-N 1 2 310.405 2.853 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000192170610 427495681 /nfs/dbraw/zinc/49/56/81/427495681.db2.gz ANEKIFLVXFMADG-DOMZBBRYSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C)CC1 ZINC000192170610 427495690 /nfs/dbraw/zinc/49/56/90/427495690.db2.gz ANEKIFLVXFMADG-DOMZBBRYSA-N 1 2 304.415 2.600 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(COC)no1 ZINC000298019429 427501714 /nfs/dbraw/zinc/50/17/14/427501714.db2.gz DCTIWQGGSQLGHV-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(COC)no1 ZINC000298019429 427501723 /nfs/dbraw/zinc/50/17/23/427501723.db2.gz DCTIWQGGSQLGHV-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000192231605 427505507 /nfs/dbraw/zinc/50/55/07/427505507.db2.gz JHLBTDWSEKBVMJ-LJQANCHMSA-N 1 2 324.449 2.787 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000192231605 427505514 /nfs/dbraw/zinc/50/55/14/427505514.db2.gz JHLBTDWSEKBVMJ-LJQANCHMSA-N 1 2 324.449 2.787 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000192220406 427506213 /nfs/dbraw/zinc/50/62/13/427506213.db2.gz ACUZVAAAQONLSF-UHFFFAOYSA-N 1 2 321.352 2.592 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000192220406 427506216 /nfs/dbraw/zinc/50/62/16/427506216.db2.gz ACUZVAAAQONLSF-UHFFFAOYSA-N 1 2 321.352 2.592 20 30 DFEDLO CCc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034803 427537134 /nfs/dbraw/zinc/53/71/34/427537134.db2.gz BTZQDUHHWVOVLN-WFASDCNBSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034803 427537142 /nfs/dbraw/zinc/53/71/42/427537142.db2.gz BTZQDUHHWVOVLN-WFASDCNBSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000338884660 427537344 /nfs/dbraw/zinc/53/73/44/427537344.db2.gz YMBXOESNKZODLQ-IUODEOHRSA-N 1 2 312.373 2.562 20 30 DFEDLO CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000338884661 427537430 /nfs/dbraw/zinc/53/74/30/427537430.db2.gz YMBXOESNKZODLQ-SWLSCSKDSA-N 1 2 312.373 2.562 20 30 DFEDLO C[C@@]12CC[N@H+](CC(=O)Nc3sccc3C#N)C[C@@H]1C2(F)F ZINC000298233497 427541931 /nfs/dbraw/zinc/54/19/31/427541931.db2.gz HSISZUFTQZYYMH-GXFFZTMASA-N 1 2 311.357 2.535 20 30 DFEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3sccc3C#N)C[C@@H]1C2(F)F ZINC000298233497 427541940 /nfs/dbraw/zinc/54/19/40/427541940.db2.gz HSISZUFTQZYYMH-GXFFZTMASA-N 1 2 311.357 2.535 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338921315 427559695 /nfs/dbraw/zinc/55/96/95/427559695.db2.gz TVVAXMRPGNZGDW-SWLSCSKDSA-N 1 2 314.389 2.549 20 30 DFEDLO N#CCC[N@H+](CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610810 427574771 /nfs/dbraw/zinc/57/47/71/427574771.db2.gz ZUSXQSGFGBVRCI-GOSISDBHSA-N 1 2 322.412 2.679 20 30 DFEDLO N#CCC[N@@H+](CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610810 427574790 /nfs/dbraw/zinc/57/47/90/427574790.db2.gz ZUSXQSGFGBVRCI-GOSISDBHSA-N 1 2 322.412 2.679 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)s1 ZINC000185021436 427581561 /nfs/dbraw/zinc/58/15/61/427581561.db2.gz XTINTFGLALCHKP-NSHDSACASA-N 1 2 300.387 2.613 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC000338951035 427583766 /nfs/dbraw/zinc/58/37/66/427583766.db2.gz CQBYKIVFGQSPFE-SWLSCSKDSA-N 1 2 311.809 2.605 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000332404456 427605663 /nfs/dbraw/zinc/60/56/63/427605663.db2.gz WOCQJPIYZUOTPY-ZDUSSCGKSA-N 1 2 314.364 2.877 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000339042783 427642727 /nfs/dbraw/zinc/64/27/27/427642727.db2.gz DPIHWIVLYKEZAJ-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264081261 427651324 /nfs/dbraw/zinc/65/13/24/427651324.db2.gz DLAKEUVBDAXGKH-UHFFFAOYSA-N 1 2 316.401 2.743 20 30 DFEDLO C=C[C@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279431153 427671169 /nfs/dbraw/zinc/67/11/69/427671169.db2.gz YZWCPPGCRKRNPI-DLBZAZTESA-N 1 2 316.445 2.525 20 30 DFEDLO CC[C@@H]([NH2+][C@H](C(=O)OC)c1cccc(C#N)c1)C1CCOCC1 ZINC000343428853 272145320 /nfs/dbraw/zinc/14/53/20/272145320.db2.gz NRITUGQMDWMSDJ-SJORKVTESA-N 1 2 316.401 2.567 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1F ZINC000343751462 272212361 /nfs/dbraw/zinc/21/23/61/272212361.db2.gz PLDSCYNJNXDGEU-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(OC)c1 ZINC000272224774 427679380 /nfs/dbraw/zinc/67/93/80/427679380.db2.gz CRRTXAWYSCANJJ-UHFFFAOYSA-N 1 2 314.385 2.957 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(OC)c1 ZINC000272224774 427679384 /nfs/dbraw/zinc/67/93/84/427679384.db2.gz CRRTXAWYSCANJJ-UHFFFAOYSA-N 1 2 314.385 2.957 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339189549 427723871 /nfs/dbraw/zinc/72/38/71/427723871.db2.gz KIOVFPWDWGETBO-FZQKWOKYSA-N 1 2 309.772 2.500 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339189549 427723875 /nfs/dbraw/zinc/72/38/75/427723875.db2.gz KIOVFPWDWGETBO-FZQKWOKYSA-N 1 2 309.772 2.500 20 30 DFEDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000185831681 427717300 /nfs/dbraw/zinc/71/73/00/427717300.db2.gz CUGUISLFWSBZLP-UHFFFAOYSA-N 1 2 321.428 2.794 20 30 DFEDLO Cc1cccc([C@@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)c1 ZINC000301274423 427786140 /nfs/dbraw/zinc/78/61/40/427786140.db2.gz LGCBSAYSWOTRGV-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@@H]1CN(c2ccc(Nc3cccc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000339215437 427734340 /nfs/dbraw/zinc/73/43/40/427734340.db2.gz AKVMBMIGDADGHI-BETUJISGSA-N 1 2 309.373 2.705 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345688984 272519547 /nfs/dbraw/zinc/51/95/47/272519547.db2.gz IRHALINETZGUCO-AWEZNQCLSA-N 1 2 317.352 2.554 20 30 DFEDLO C=CCOCC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339562298 427793064 /nfs/dbraw/zinc/79/30/64/427793064.db2.gz NREAOGYEQWSXRA-HNNXBMFYSA-N 1 2 313.401 2.538 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)nc3)c[nH+]2)C[C@H](C)O1 ZINC000301508196 427800912 /nfs/dbraw/zinc/80/09/12/427800912.db2.gz JTYZDWHSXMXJMI-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO CCc1nnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C#N)c1CC ZINC000301630738 427810593 /nfs/dbraw/zinc/81/05/93/427810593.db2.gz IUJHMQGFBDAVHC-AWEZNQCLSA-N 1 2 323.400 2.526 20 30 DFEDLO Cc1cccc(NC(=O)CCNc2cc(C)[nH+]c(C)c2C#N)n1 ZINC000301759282 427821990 /nfs/dbraw/zinc/82/19/90/427821990.db2.gz FIVQNCOXHDUJHZ-UHFFFAOYSA-N 1 2 309.373 2.714 20 30 DFEDLO Cc1cc(N2CCCN(C(=O)C(C)(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301769931 427822371 /nfs/dbraw/zinc/82/23/71/427822371.db2.gz ITAAVBCGNKMOIK-UHFFFAOYSA-N 1 2 314.433 2.655 20 30 DFEDLO CCCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301767789 427822928 /nfs/dbraw/zinc/82/29/28/427822928.db2.gz HZWRQUWLRZTXDF-OAHLLOKOSA-N 1 2 314.433 2.703 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000339757370 427823145 /nfs/dbraw/zinc/82/31/45/427823145.db2.gz QGUARZFFXDCFDE-NSHDSACASA-N 1 2 314.307 2.867 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000339757370 427823148 /nfs/dbraw/zinc/82/31/48/427823148.db2.gz QGUARZFFXDCFDE-NSHDSACASA-N 1 2 314.307 2.867 20 30 DFEDLO Cc1cc(N2CC[C@H](OCc3ccncc3)C2)c(C#N)c(C)[nH+]1 ZINC000301780016 427823274 /nfs/dbraw/zinc/82/32/74/427823274.db2.gz IGNSCHMPEFAEHJ-INIZCTEOSA-N 1 2 308.385 2.761 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000339758122 427823437 /nfs/dbraw/zinc/82/34/37/427823437.db2.gz UIIZJFZQNNCIDZ-UHFFFAOYSA-N 1 2 322.412 2.643 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000339758122 427823439 /nfs/dbraw/zinc/82/34/39/427823439.db2.gz UIIZJFZQNNCIDZ-UHFFFAOYSA-N 1 2 322.412 2.643 20 30 DFEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000339766852 427824554 /nfs/dbraw/zinc/82/45/54/427824554.db2.gz USHHYFRJYRTGDY-CQSZACIVSA-N 1 2 321.218 2.510 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000339766852 427824557 /nfs/dbraw/zinc/82/45/57/427824557.db2.gz USHHYFRJYRTGDY-CQSZACIVSA-N 1 2 321.218 2.510 20 30 DFEDLO COC(=O)CCC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301806397 427826015 /nfs/dbraw/zinc/82/60/15/427826015.db2.gz XWKOAOFYXNQLIC-UHFFFAOYSA-N 1 2 301.390 2.740 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000339825886 427840615 /nfs/dbraw/zinc/84/06/15/427840615.db2.gz CRIVIBSJDPPOGV-UHFFFAOYSA-N 1 2 309.291 2.691 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000339825886 427840620 /nfs/dbraw/zinc/84/06/20/427840620.db2.gz CRIVIBSJDPPOGV-UHFFFAOYSA-N 1 2 309.291 2.691 20 30 DFEDLO Cc1cc(C)c(C#N)c(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000359501491 427876998 /nfs/dbraw/zinc/87/69/98/427876998.db2.gz YSSGLPWOAIRIOK-UHFFFAOYSA-N 1 2 309.295 2.941 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)CCC1 ZINC000349847562 427878701 /nfs/dbraw/zinc/87/87/01/427878701.db2.gz HMWRQXUBHOCLLM-AWEZNQCLSA-N 1 2 316.405 2.721 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)CCC1 ZINC000349847562 427878704 /nfs/dbraw/zinc/87/87/04/427878704.db2.gz HMWRQXUBHOCLLM-AWEZNQCLSA-N 1 2 316.405 2.721 20 30 DFEDLO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000359518077 427884976 /nfs/dbraw/zinc/88/49/76/427884976.db2.gz XSANQGNYEXKDHC-OAHLLOKOSA-N 1 2 306.287 2.799 20 30 DFEDLO Cc1ccn2cc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)[nH+]c2c1 ZINC000339969862 427893664 /nfs/dbraw/zinc/89/36/64/427893664.db2.gz VDWHTSLXSZSOJQ-UHFFFAOYSA-N 1 2 322.328 2.617 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340211160 427954818 /nfs/dbraw/zinc/95/48/18/427954818.db2.gz QWBQGORGDOFLPV-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340211160 427954821 /nfs/dbraw/zinc/95/48/21/427954821.db2.gz QWBQGORGDOFLPV-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)ccc1F ZINC000340209887 427954948 /nfs/dbraw/zinc/95/49/48/427954948.db2.gz KEYRWOUPJXXUTG-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)ccc1F ZINC000340209887 427954954 /nfs/dbraw/zinc/95/49/54/427954954.db2.gz KEYRWOUPJXXUTG-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000350629384 427957874 /nfs/dbraw/zinc/95/78/74/427957874.db2.gz NUPRDRYZPROOSL-HNNXBMFYSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000350629384 427957878 /nfs/dbraw/zinc/95/78/78/427957878.db2.gz NUPRDRYZPROOSL-HNNXBMFYSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356002103 427977636 /nfs/dbraw/zinc/97/76/36/427977636.db2.gz CIRMOULFOXNCDN-KGLIPLIRSA-N 1 2 319.449 2.593 20 30 DFEDLO C=CC[C@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369495327 427978815 /nfs/dbraw/zinc/97/88/15/427978815.db2.gz ZCSNUNNKWDOGOQ-WBVHZDCISA-N 1 2 309.413 2.922 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000359729507 427992716 /nfs/dbraw/zinc/99/27/16/427992716.db2.gz NYQQHIJFJHVWPK-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000359729507 427992720 /nfs/dbraw/zinc/99/27/20/427992720.db2.gz NYQQHIJFJHVWPK-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@H+](CC(=O)N(C)C[C@H](C)C#N)Cc1ccccc1Cl ZINC000350953274 427994398 /nfs/dbraw/zinc/99/43/98/427994398.db2.gz WCIWGKKEEVKIKJ-CYBMUJFWSA-N 1 2 307.825 2.780 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)C[C@H](C)C#N)Cc1ccccc1Cl ZINC000350953274 427994401 /nfs/dbraw/zinc/99/44/01/427994401.db2.gz WCIWGKKEEVKIKJ-CYBMUJFWSA-N 1 2 307.825 2.780 20 30 DFEDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2[nH+]1 ZINC000340151700 427938843 /nfs/dbraw/zinc/93/88/43/427938843.db2.gz ODEOZHNTIBJJEX-UHFFFAOYSA-N 1 2 312.354 2.544 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000340150444 427939605 /nfs/dbraw/zinc/93/96/05/427939605.db2.gz WUTKKNZFUOQUJB-UHFFFAOYSA-N 1 2 310.382 2.777 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CN1C(C)=O ZINC000345915429 427951366 /nfs/dbraw/zinc/95/13/66/427951366.db2.gz UPHPNNKMPNRKCJ-ROUUACIJSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CN1C(C)=O ZINC000345915429 427951372 /nfs/dbraw/zinc/95/13/72/427951372.db2.gz UPHPNNKMPNRKCJ-ROUUACIJSA-N 1 2 317.408 2.919 20 30 DFEDLO Cc1ccc(CCNc2ccc(C(F)(F)F)c(C#N)n2)[nH+]c1 ZINC000413350962 428028314 /nfs/dbraw/zinc/02/83/14/428028314.db2.gz YQVYYQSUDZRCGJ-UHFFFAOYSA-N 1 2 306.291 3.330 20 30 DFEDLO N#Cc1c(NCCNc2cccc[nH+]2)nc2cc(Cl)ccn21 ZINC000341351754 428041490 /nfs/dbraw/zinc/04/14/90/428041490.db2.gz CDJGYFQAKXLVAV-UHFFFAOYSA-N 1 2 312.764 2.778 20 30 DFEDLO C=CCOCCCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359873323 428055477 /nfs/dbraw/zinc/05/54/77/428055477.db2.gz IBIQTQFRZAEKIH-AWEZNQCLSA-N 1 2 319.449 2.594 20 30 DFEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369786330 428060773 /nfs/dbraw/zinc/06/07/73/428060773.db2.gz GAFPSYTXVNOSJJ-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369786330 428060777 /nfs/dbraw/zinc/06/07/77/428060777.db2.gz GAFPSYTXVNOSJJ-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413293893 428012557 /nfs/dbraw/zinc/01/25/57/428012557.db2.gz HSVXCEJKNLLJQC-KGLIPLIRSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413293893 428012562 /nfs/dbraw/zinc/01/25/62/428012562.db2.gz HSVXCEJKNLLJQC-KGLIPLIRSA-N 1 2 304.438 2.698 20 30 DFEDLO CN(Cc1nc(C#N)cs1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000356211777 428070626 /nfs/dbraw/zinc/07/06/26/428070626.db2.gz GOSDXJXNFFQYGM-UHFFFAOYSA-N 1 2 323.425 2.892 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413572449 428083373 /nfs/dbraw/zinc/08/33/73/428083373.db2.gz IJEJCFKVKLUTIH-HOCLYGCPSA-N 1 2 312.417 2.869 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413572449 428083379 /nfs/dbraw/zinc/08/33/79/428083379.db2.gz IJEJCFKVKLUTIH-HOCLYGCPSA-N 1 2 312.417 2.869 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C2 ZINC000356272613 428099220 /nfs/dbraw/zinc/09/92/20/428099220.db2.gz WEMPSTUFIUCCAY-RISCZKNCSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)CC2 ZINC000356272613 428099222 /nfs/dbraw/zinc/09/92/22/428099222.db2.gz WEMPSTUFIUCCAY-RISCZKNCSA-N 1 2 302.422 2.692 20 30 DFEDLO C=CCOc1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000351571416 428101385 /nfs/dbraw/zinc/10/13/85/428101385.db2.gz XZRUGNUTLJNQRN-UHFFFAOYSA-N 1 2 320.396 3.503 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356316307 428122582 /nfs/dbraw/zinc/12/25/82/428122582.db2.gz JLGNHXGMCOJXJH-LLVKDONJSA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356316307 428122586 /nfs/dbraw/zinc/12/25/86/428122586.db2.gz JLGNHXGMCOJXJH-LLVKDONJSA-N 1 2 307.419 2.568 20 30 DFEDLO N#Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000346323347 428125893 /nfs/dbraw/zinc/12/58/93/428125893.db2.gz XVYOMLKZVNZVFR-UHFFFAOYSA-N 1 2 312.348 2.714 20 30 DFEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000346338802 428131935 /nfs/dbraw/zinc/13/19/35/428131935.db2.gz OREFGUHZRCRJAG-GFCCVEGCSA-N 1 2 323.183 2.949 20 30 DFEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000346338802 428131950 /nfs/dbraw/zinc/13/19/50/428131950.db2.gz OREFGUHZRCRJAG-GFCCVEGCSA-N 1 2 323.183 2.949 20 30 DFEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nncn1C ZINC000352464007 428137051 /nfs/dbraw/zinc/13/70/51/428137051.db2.gz NNUGQYQMLXVHQR-CQSZACIVSA-N 1 2 303.797 2.827 20 30 DFEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccccc2)CC1)C1CC1 ZINC000370165171 428151001 /nfs/dbraw/zinc/15/10/01/428151001.db2.gz ZVXQEXKZNITSNH-HXUWFJFHSA-N 1 2 323.440 2.974 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000356368504 428147241 /nfs/dbraw/zinc/14/72/41/428147241.db2.gz LAGPDYPRIFYARE-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000360075885 428148785 /nfs/dbraw/zinc/14/87/85/428148785.db2.gz VVELHYAPPMLBHL-WBVHZDCISA-N 1 2 314.433 2.894 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000360075885 428148788 /nfs/dbraw/zinc/14/87/88/428148788.db2.gz VVELHYAPPMLBHL-WBVHZDCISA-N 1 2 314.433 2.894 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCC[C@H]2C#N)c1C ZINC000360084633 428153851 /nfs/dbraw/zinc/15/38/51/428153851.db2.gz UKKFNUWFLBJGNS-KBPBESRZSA-N 1 2 316.405 2.541 20 30 DFEDLO CN(C)c1ccc(CNc2cc(C#N)c3ccccc3n2)c[nH+]1 ZINC000346399874 428155956 /nfs/dbraw/zinc/15/59/56/428155956.db2.gz GLHUAWARBATEMW-UHFFFAOYSA-N 1 2 303.369 3.180 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 ZINC000341709999 428163931 /nfs/dbraw/zinc/16/39/31/428163931.db2.gz VPCHQAFPQSZMEP-DLBZAZTESA-N 1 2 322.412 2.760 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000356418185 428168766 /nfs/dbraw/zinc/16/87/66/428168766.db2.gz BHKZBFCEYFJTHQ-GXFFZTMASA-N 1 2 319.206 2.879 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000346436556 428171938 /nfs/dbraw/zinc/17/19/38/428171938.db2.gz WZNUBMPNLMTUKA-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1Cl ZINC000341744210 428177459 /nfs/dbraw/zinc/17/74/59/428177459.db2.gz OVSVXESCFGAMLQ-UHFFFAOYSA-N 1 2 323.787 3.464 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C#N)cc1 ZINC000352702459 428213030 /nfs/dbraw/zinc/21/30/30/428213030.db2.gz XDZMPJRRUKOPQR-UHFFFAOYSA-N 1 2 309.369 2.820 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C#N)cc1 ZINC000352702459 428213036 /nfs/dbraw/zinc/21/30/36/428213036.db2.gz XDZMPJRRUKOPQR-UHFFFAOYSA-N 1 2 309.369 2.820 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000360161022 428187837 /nfs/dbraw/zinc/18/78/37/428187837.db2.gz DVMKSBGXNOXARW-XJKSGUPXSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cccn2cc(CNC(=O)[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000360170823 428188879 /nfs/dbraw/zinc/18/88/79/428188879.db2.gz OTAFVLYVKINGLB-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352825522 428265872 /nfs/dbraw/zinc/26/58/72/428265872.db2.gz ULHJLUGLRRZUMI-SNVBAGLBSA-N 1 2 303.387 2.883 20 30 DFEDLO N#Cc1csc(CNC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000352838898 428274001 /nfs/dbraw/zinc/27/40/01/428274001.db2.gz GYCRJPRVEIQCLH-CYBMUJFWSA-N 1 2 302.403 2.534 20 30 DFEDLO Cc1nc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1C#N ZINC000342030425 428282620 /nfs/dbraw/zinc/28/26/20/428282620.db2.gz BLUWYQSGYFTEPM-UHFFFAOYSA-N 1 2 317.352 2.582 20 30 DFEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000352880502 428293778 /nfs/dbraw/zinc/29/37/78/428293778.db2.gz CIMWTELEZKQFMA-KRWDZBQOSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000352880502 428293784 /nfs/dbraw/zinc/29/37/84/428293784.db2.gz CIMWTELEZKQFMA-KRWDZBQOSA-N 1 2 323.371 2.935 20 30 DFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Cl ZINC000352877517 428293890 /nfs/dbraw/zinc/29/38/90/428293890.db2.gz QZWWJNWNCQXNIU-BBRMVZONSA-N 1 2 319.836 2.507 20 30 DFEDLO CN(C(=O)c1ccnc(C#N)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352791371 428251891 /nfs/dbraw/zinc/25/18/91/428251891.db2.gz ZEVAWBJOWDAFRH-MRXNPFEDSA-N 1 2 317.352 2.538 20 30 DFEDLO N#Cc1nc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000360335719 428257382 /nfs/dbraw/zinc/25/73/82/428257382.db2.gz NEAZNXUUJMCKGR-UHFFFAOYSA-N 1 2 309.760 3.404 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000378096163 428307695 /nfs/dbraw/zinc/30/76/95/428307695.db2.gz CDKVGKXJRNHKKV-ZDUSSCGKSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000378096163 428307696 /nfs/dbraw/zinc/30/76/96/428307696.db2.gz CDKVGKXJRNHKKV-ZDUSSCGKSA-N 1 2 300.337 2.768 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1OCCCC#N ZINC000414469926 428309382 /nfs/dbraw/zinc/30/93/82/428309382.db2.gz KNOVHLKZAPVDMF-OAHLLOKOSA-N 1 2 322.380 2.548 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1OCCCC#N ZINC000414469926 428309387 /nfs/dbraw/zinc/30/93/87/428309387.db2.gz KNOVHLKZAPVDMF-OAHLLOKOSA-N 1 2 322.380 2.548 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371045860 428346699 /nfs/dbraw/zinc/34/66/99/428346699.db2.gz WXNQEPHGZLQPCP-AWEZNQCLSA-N 1 2 309.373 2.622 20 30 DFEDLO N#CCc1ccc(C[S@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000342259926 428371232 /nfs/dbraw/zinc/37/12/32/428371232.db2.gz UBNOSOGTSYHYQO-QFIPXVFZSA-N 1 2 309.394 2.849 20 30 DFEDLO N#CCc1ccc(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000360632037 428376009 /nfs/dbraw/zinc/37/60/09/428376009.db2.gz HHBPOCLTXXSUIH-UHFFFAOYSA-N 1 2 323.371 2.741 20 30 DFEDLO N#CCc1ccc(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000360632037 428376012 /nfs/dbraw/zinc/37/60/12/428376012.db2.gz HHBPOCLTXXSUIH-UHFFFAOYSA-N 1 2 323.371 2.741 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C#N)CCCC1)C2 ZINC000372390704 428436538 /nfs/dbraw/zinc/43/65/38/428436538.db2.gz XELAXXWGMVSFKG-LBPRGKRZSA-N 1 2 300.406 2.591 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CCCC1)CC2 ZINC000372390704 428436544 /nfs/dbraw/zinc/43/65/44/428436544.db2.gz XELAXXWGMVSFKG-LBPRGKRZSA-N 1 2 300.406 2.591 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000342783108 428452819 /nfs/dbraw/zinc/45/28/19/428452819.db2.gz HPRBSCGXFWPUCB-GJZGRUSLSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000342783108 428452823 /nfs/dbraw/zinc/45/28/23/428452823.db2.gz HPRBSCGXFWPUCB-GJZGRUSLSA-N 1 2 304.438 2.842 20 30 DFEDLO Cc1cc(NCc2[nH+]ccn2C(C)C)nn1-c1cccc(C#N)c1 ZINC000372268774 428425697 /nfs/dbraw/zinc/42/56/97/428425697.db2.gz SHTQIDXAWXOGTG-UHFFFAOYSA-N 1 2 320.400 3.442 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(CC#N)c1)CCC2 ZINC000372252102 428425854 /nfs/dbraw/zinc/42/58/54/428425854.db2.gz QJMOAZXOEFULOY-MRXNPFEDSA-N 1 2 308.385 2.565 20 30 DFEDLO C=CCCOCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000342950003 428494204 /nfs/dbraw/zinc/49/42/04/428494204.db2.gz FYDWUFZRWHQWQV-MRXNPFEDSA-N 1 2 317.433 2.540 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000372718842 428494251 /nfs/dbraw/zinc/49/42/51/428494251.db2.gz RKGYFMZVTNOCFR-CZUORRHYSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]1c1ccccc1F ZINC000372718842 428494255 /nfs/dbraw/zinc/49/42/55/428494255.db2.gz RKGYFMZVTNOCFR-CZUORRHYSA-N 1 2 303.381 2.581 20 30 DFEDLO C=CCCOCCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000342965855 428494482 /nfs/dbraw/zinc/49/44/82/428494482.db2.gz NBJNALHBUQPXIW-UHFFFAOYSA-N 1 2 305.422 2.873 20 30 DFEDLO C#CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000372758835 428501679 /nfs/dbraw/zinc/50/16/79/428501679.db2.gz CNKUFAYAQATVNH-BMGDILEWSA-N 1 2 322.412 2.823 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCN(CCOC)[C@H](CC)C2)c1 ZINC000353368817 428505679 /nfs/dbraw/zinc/50/56/79/428505679.db2.gz HMUMITTVSABCCE-GOSISDBHSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCN(CCOC)[C@H](CC)C2)c1 ZINC000353368817 428505682 /nfs/dbraw/zinc/50/56/82/428505682.db2.gz HMUMITTVSABCCE-GOSISDBHSA-N 1 2 318.461 2.794 20 30 DFEDLO N#CC1(c2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)CC1 ZINC000347241717 428507562 /nfs/dbraw/zinc/50/75/62/428507562.db2.gz ZCNQWGFBGXCMHZ-UHFFFAOYSA-N 1 2 316.364 2.819 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347466799 428584253 /nfs/dbraw/zinc/58/42/53/428584253.db2.gz DLHLFCWKHVJMTP-HIFRSBDPSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347466799 428584257 /nfs/dbraw/zinc/58/42/57/428584257.db2.gz DLHLFCWKHVJMTP-HIFRSBDPSA-N 1 2 304.438 2.639 20 30 DFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357437824 428535503 /nfs/dbraw/zinc/53/55/03/428535503.db2.gz LGMFFSKOBMJZCV-GFCCVEGCSA-N 1 2 306.325 2.612 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC000361105135 428536561 /nfs/dbraw/zinc/53/65/61/428536561.db2.gz AZSASFHGKDKJOA-ULQDDVLXSA-N 1 2 303.402 2.657 20 30 DFEDLO Cc1ccnc(N(C)C2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000373278804 428538385 /nfs/dbraw/zinc/53/83/85/428538385.db2.gz BLAVXSQOIAJLBG-UHFFFAOYSA-N 1 2 307.401 2.762 20 30 DFEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000343344270 428545214 /nfs/dbraw/zinc/54/52/14/428545214.db2.gz OSYPESWHKXUGQX-AWEZNQCLSA-N 1 2 308.809 2.837 20 30 DFEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000343344270 428545219 /nfs/dbraw/zinc/54/52/19/428545219.db2.gz OSYPESWHKXUGQX-AWEZNQCLSA-N 1 2 308.809 2.837 20 30 DFEDLO CC[C@H]([NH2+][C@H](C(=O)OC)c1cccc(C#N)c1)C1CCOCC1 ZINC000343428852 428549855 /nfs/dbraw/zinc/54/98/55/428549855.db2.gz NRITUGQMDWMSDJ-IRXDYDNUSA-N 1 2 316.401 2.567 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347351907 428560789 /nfs/dbraw/zinc/56/07/89/428560789.db2.gz NMIBNZUNISMQHI-OBKBAYEDSA-N 1 2 309.429 2.740 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347351907 428560794 /nfs/dbraw/zinc/56/07/94/428560794.db2.gz NMIBNZUNISMQHI-OBKBAYEDSA-N 1 2 309.429 2.740 20 30 DFEDLO COc1cc2c(cc1OC)CC[NH+](C[C@H](C#N)CCC#N)CC2 ZINC000361467107 428571744 /nfs/dbraw/zinc/57/17/44/428571744.db2.gz WYDXGJBHYPVEJB-AWEZNQCLSA-N 1 2 313.401 2.548 20 30 DFEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000357916345 428573003 /nfs/dbraw/zinc/57/30/03/428573003.db2.gz QXJAZXIFCXLSKG-CKDBGZEDSA-N 1 2 304.438 2.541 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000357916345 428573006 /nfs/dbraw/zinc/57/30/06/428573006.db2.gz QXJAZXIFCXLSKG-CKDBGZEDSA-N 1 2 304.438 2.541 20 30 DFEDLO C[N@H+](Cc1cc[nH]n1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353526975 428577382 /nfs/dbraw/zinc/57/73/82/428577382.db2.gz BYHILXWXXQXRIU-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO C[N@@H+](Cc1cc[nH]n1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353526975 428577389 /nfs/dbraw/zinc/57/73/89/428577389.db2.gz BYHILXWXXQXRIU-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000353589778 428609103 /nfs/dbraw/zinc/60/91/03/428609103.db2.gz HOBWGEFTGBWARJ-HZPDHXFCSA-N 1 2 316.355 2.887 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cnn(CC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000353589778 428609108 /nfs/dbraw/zinc/60/91/08/428609108.db2.gz HOBWGEFTGBWARJ-HZPDHXFCSA-N 1 2 316.355 2.887 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)C[C@H]1c1ccccc1 ZINC000353589777 428609581 /nfs/dbraw/zinc/60/95/81/428609581.db2.gz HOBWGEFTGBWARJ-HOTGVXAUSA-N 1 2 316.355 2.887 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)C[C@H]1c1ccccc1 ZINC000353589777 428609585 /nfs/dbraw/zinc/60/95/85/428609585.db2.gz HOBWGEFTGBWARJ-HOTGVXAUSA-N 1 2 316.355 2.887 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000362089478 428615918 /nfs/dbraw/zinc/61/59/18/428615918.db2.gz IWBPXUSCAJGCBB-GFENJXEQSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000362089478 428615923 /nfs/dbraw/zinc/61/59/23/428615923.db2.gz IWBPXUSCAJGCBB-GFENJXEQSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000347696369 428623423 /nfs/dbraw/zinc/62/34/23/428623423.db2.gz WFCXSLRQVXMZRJ-WDMOLILDSA-N 1 2 323.343 2.897 20 30 DFEDLO COC(=O)c1cnoc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000286121579 274008598 /nfs/dbraw/zinc/00/85/98/274008598.db2.gz VWXISKAXFPMZNX-UHFFFAOYSA-N 1 2 313.357 2.743 20 30 DFEDLO COC(=O)c1cnoc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000286121579 274008600 /nfs/dbraw/zinc/00/86/00/274008600.db2.gz VWXISKAXFPMZNX-UHFFFAOYSA-N 1 2 313.357 2.743 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112460 428637404 /nfs/dbraw/zinc/63/74/04/428637404.db2.gz FXIHCLRSDBXMAX-KGLIPLIRSA-N 1 2 307.438 2.896 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112460 428637408 /nfs/dbraw/zinc/63/74/08/428637408.db2.gz FXIHCLRSDBXMAX-KGLIPLIRSA-N 1 2 307.438 2.896 20 30 DFEDLO CC[C@H](C)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC ZINC000348015990 428635467 /nfs/dbraw/zinc/63/54/67/428635467.db2.gz UNDHWRHSAVHLFT-XJKSGUPXSA-N 1 2 304.390 2.504 20 30 DFEDLO COc1cc(CNC(=O)Nc2ccn3cc[nH+]c3c2)ccc1C#N ZINC000353660389 428644463 /nfs/dbraw/zinc/64/44/63/428644463.db2.gz SLXZALAKLPRZMP-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccnc1 ZINC000348305264 428700852 /nfs/dbraw/zinc/70/08/52/428700852.db2.gz VKBNEMNKTXKOBO-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccnc1 ZINC000348305264 428700855 /nfs/dbraw/zinc/70/08/55/428700855.db2.gz VKBNEMNKTXKOBO-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802080 428723225 /nfs/dbraw/zinc/72/32/25/428723225.db2.gz HJQOXKIEDVFEKW-DOQJBMMISA-N 1 2 320.458 2.710 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802080 428723233 /nfs/dbraw/zinc/72/32/33/428723233.db2.gz HJQOXKIEDVFEKW-DOQJBMMISA-N 1 2 320.458 2.710 20 30 DFEDLO C=CCOCC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000358912446 428726801 /nfs/dbraw/zinc/72/68/01/428726801.db2.gz WUTOLAWPGMALNX-CQSZACIVSA-N 1 2 322.836 2.748 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000362389507 428728774 /nfs/dbraw/zinc/72/87/74/428728774.db2.gz OZGVGDOSYOIDOS-CYBMUJFWSA-N 1 2 301.415 2.980 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCn1cc[nH+]c1 ZINC000416396564 428730962 /nfs/dbraw/zinc/73/09/62/428730962.db2.gz CVTRUHPAVWAURK-QGZVFWFLSA-N 1 2 323.400 2.522 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416398261 428731170 /nfs/dbraw/zinc/73/11/70/428731170.db2.gz MIBFWZLWPFVLNM-DYVFJYSZSA-N 1 2 323.400 2.520 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000348402769 428732451 /nfs/dbraw/zinc/73/24/51/428732451.db2.gz IDVMNZBLVCZYPS-JTQLQIEISA-N 1 2 318.764 2.797 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000358810653 428686454 /nfs/dbraw/zinc/68/64/54/428686454.db2.gz GKCYFOYSFIGBIL-SNVBAGLBSA-N 1 2 304.316 2.599 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000374893568 428775770 /nfs/dbraw/zinc/77/57/70/428775770.db2.gz JNUCHSXMCGNMGS-KRWDZBQOSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000374893568 428775773 /nfs/dbraw/zinc/77/57/73/428775773.db2.gz JNUCHSXMCGNMGS-KRWDZBQOSA-N 1 2 312.344 2.976 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000348542195 428776692 /nfs/dbraw/zinc/77/66/92/428776692.db2.gz BDIIRCUXGVWNNF-WDUKFBBWSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000348542195 428776695 /nfs/dbraw/zinc/77/66/95/428776695.db2.gz BDIIRCUXGVWNNF-WDUKFBBWSA-N 1 2 307.459 2.983 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000358967098 428751120 /nfs/dbraw/zinc/75/11/20/428751120.db2.gz OYPLHXFSEPEZFG-NZVBXONLSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000358967098 428751123 /nfs/dbraw/zinc/75/11/23/428751123.db2.gz OYPLHXFSEPEZFG-NZVBXONLSA-N 1 2 323.799 2.890 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000362654703 428796905 /nfs/dbraw/zinc/79/69/05/428796905.db2.gz ZUBARORIZHUAGH-MSOLQXFVSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000362654703 428796908 /nfs/dbraw/zinc/79/69/08/428796908.db2.gz ZUBARORIZHUAGH-MSOLQXFVSA-N 1 2 321.428 2.814 20 30 DFEDLO N#Cc1nnc2ccccc2c1NCc1cn2ccccc2[nH+]1 ZINC000359092448 428812774 /nfs/dbraw/zinc/81/27/74/428812774.db2.gz IEVXGRGQVIZEIQ-UHFFFAOYSA-N 1 2 300.325 2.761 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000362969779 428830387 /nfs/dbraw/zinc/83/03/87/428830387.db2.gz FFSFGHYBGGLQGT-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000362969779 428830397 /nfs/dbraw/zinc/83/03/97/428830397.db2.gz FFSFGHYBGGLQGT-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO N#CCN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000362984739 428832312 /nfs/dbraw/zinc/83/23/12/428832312.db2.gz VJRSGHWUXQQZCO-MRXNPFEDSA-N 1 2 320.396 2.855 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000354102004 428862412 /nfs/dbraw/zinc/86/24/12/428862412.db2.gz XYMOXKZWBZIPBN-UHFFFAOYSA-N 1 2 305.341 2.890 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363403946 428911130 /nfs/dbraw/zinc/91/11/30/428911130.db2.gz GWBSKYASVQHTQG-CQSZACIVSA-N 1 2 309.373 2.887 20 30 DFEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1occc1C ZINC000412039235 428921584 /nfs/dbraw/zinc/92/15/84/428921584.db2.gz KAOIAEBOTHAKKM-UHFFFAOYSA-N 1 2 303.406 2.753 20 30 DFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1occc1C ZINC000412039235 428921587 /nfs/dbraw/zinc/92/15/87/428921587.db2.gz KAOIAEBOTHAKKM-UHFFFAOYSA-N 1 2 303.406 2.753 20 30 DFEDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000419234636 428928179 /nfs/dbraw/zinc/92/81/79/428928179.db2.gz IFJRSOMHOTWGMJ-ABAIWWIYSA-N 1 2 315.398 2.655 20 30 DFEDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000419234650 428928694 /nfs/dbraw/zinc/92/86/94/428928694.db2.gz IFJRSOMHOTWGMJ-IAQYHMDHSA-N 1 2 315.398 2.655 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000359344307 428930712 /nfs/dbraw/zinc/93/07/12/428930712.db2.gz OGUGZANMURHKOO-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO Cc1cccnc1OC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000419304834 428931754 /nfs/dbraw/zinc/93/17/54/428931754.db2.gz KQVLUPJJTUFRTM-UHFFFAOYSA-N 1 2 314.414 2.762 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000349249347 428949505 /nfs/dbraw/zinc/94/95/05/428949505.db2.gz WWHBUZPSKVRBNY-NXEZZACHSA-N 1 2 318.764 2.877 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+](Cc3cccnc3)C3CC3)n2c1 ZINC000349254591 428952953 /nfs/dbraw/zinc/95/29/53/428952953.db2.gz ZGMOEXGXFWTPTR-UHFFFAOYSA-N 1 2 303.369 2.766 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+](Cc3cccnc3)C3CC3)n2c1 ZINC000349254591 428952958 /nfs/dbraw/zinc/95/29/58/428952958.db2.gz ZGMOEXGXFWTPTR-UHFFFAOYSA-N 1 2 303.369 2.766 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354897075 429016505 /nfs/dbraw/zinc/01/65/05/429016505.db2.gz LVIKDCVUBIYTMI-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354897075 429016513 /nfs/dbraw/zinc/01/65/13/429016513.db2.gz LVIKDCVUBIYTMI-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433306476 429024540 /nfs/dbraw/zinc/02/45/40/429024540.db2.gz RGSINXQXTZFPPU-ZDUSSCGKSA-N 1 2 305.397 2.827 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433306476 429024543 /nfs/dbraw/zinc/02/45/43/429024543.db2.gz RGSINXQXTZFPPU-ZDUSSCGKSA-N 1 2 305.397 2.827 20 30 DFEDLO COc1cc(C[NH2+]Cc2nn(C)c(C)c2Cl)ccc1C#N ZINC000421357598 428989958 /nfs/dbraw/zinc/98/99/58/428989958.db2.gz PJNLHBYIRCKMJG-UHFFFAOYSA-N 1 2 304.781 2.552 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843127 428995072 /nfs/dbraw/zinc/99/50/72/428995072.db2.gz ROPHVZJCRUQOOO-DLBZAZTESA-N 1 2 313.401 2.615 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843127 428995079 /nfs/dbraw/zinc/99/50/79/428995079.db2.gz ROPHVZJCRUQOOO-DLBZAZTESA-N 1 2 313.401 2.615 20 30 DFEDLO O[C@H]([C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887836 429007214 /nfs/dbraw/zinc/00/72/14/429007214.db2.gz KKVGJNYZNAZXRH-GXTWGEPZSA-N 1 2 317.738 2.937 20 30 DFEDLO O[C@H]([C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887836 429007218 /nfs/dbraw/zinc/00/72/18/429007218.db2.gz KKVGJNYZNAZXRH-GXTWGEPZSA-N 1 2 317.738 2.937 20 30 DFEDLO COCCN(Cc1ccc(C#N)cc1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433775514 429048688 /nfs/dbraw/zinc/04/86/88/429048688.db2.gz UNNXXNKGYJNKMG-UHFFFAOYSA-N 1 2 321.384 2.791 20 30 DFEDLO COC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108979 429058246 /nfs/dbraw/zinc/05/82/46/429058246.db2.gz VTAFKBOXBFZOAO-WMLDXEAASA-N 1 2 316.401 2.521 20 30 DFEDLO COC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108979 429058250 /nfs/dbraw/zinc/05/82/50/429058250.db2.gz VTAFKBOXBFZOAO-WMLDXEAASA-N 1 2 316.401 2.521 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000376167759 429070929 /nfs/dbraw/zinc/07/09/29/429070929.db2.gz QYLADIZBVJEWRU-LBPRGKRZSA-N 1 2 315.402 2.509 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000376167759 429070932 /nfs/dbraw/zinc/07/09/32/429070932.db2.gz QYLADIZBVJEWRU-LBPRGKRZSA-N 1 2 315.402 2.509 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000412848147 429110174 /nfs/dbraw/zinc/11/01/74/429110174.db2.gz YQDBWWYQNJWDAI-DLBZAZTESA-N 1 2 309.413 2.749 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435070953 429121993 /nfs/dbraw/zinc/12/19/93/429121993.db2.gz UVMSXHUSIBYHAZ-UHFFFAOYSA-N 1 2 322.412 2.759 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454734526 429171390 /nfs/dbraw/zinc/17/13/90/429171390.db2.gz AEQFNFYNHBMFPJ-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454734526 429171393 /nfs/dbraw/zinc/17/13/93/429171393.db2.gz AEQFNFYNHBMFPJ-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C#N ZINC000487907970 429173571 /nfs/dbraw/zinc/17/35/71/429173571.db2.gz JFASNKSINXOLDZ-KRWDZBQOSA-N 1 2 321.359 3.336 20 30 DFEDLO Cc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC000488148362 429177405 /nfs/dbraw/zinc/17/74/05/429177405.db2.gz KRENZHBPQAOBSF-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1C#N ZINC000488247577 429178707 /nfs/dbraw/zinc/17/87/07/429178707.db2.gz GSERYUOJRBPRRR-MRXNPFEDSA-N 1 2 302.324 2.968 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000424726861 429181811 /nfs/dbraw/zinc/18/18/11/429181811.db2.gz YCSBFWAQBQZABQ-HOTGVXAUSA-N 1 2 317.433 2.666 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455319170 429186296 /nfs/dbraw/zinc/18/62/96/429186296.db2.gz ZMQUSHFDVPDGKF-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000455353792 429187039 /nfs/dbraw/zinc/18/70/39/429187039.db2.gz DVQDQFXAAJWQDL-UHFFFAOYSA-N 1 2 307.463 2.788 20 30 DFEDLO C=C(Cl)C[N@H+]1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495282662 429195701 /nfs/dbraw/zinc/19/57/01/429195701.db2.gz WJTKMMGEUGQYJJ-STQMWFEESA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495282662 429195704 /nfs/dbraw/zinc/19/57/04/429195704.db2.gz WJTKMMGEUGQYJJ-STQMWFEESA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(CC)CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000455525220 429189844 /nfs/dbraw/zinc/18/98/44/429189844.db2.gz QXRDQYDPGLIGTD-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO C=C(CC)CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000455525220 429189848 /nfs/dbraw/zinc/18/98/48/429189848.db2.gz QXRDQYDPGLIGTD-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO CC1(C#N)CC[NH+](CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000495276419 429194076 /nfs/dbraw/zinc/19/40/76/429194076.db2.gz NQFKMODZYHGOGA-INIZCTEOSA-N 1 2 313.401 2.633 20 30 DFEDLO N#Cc1cccc(C#N)c1NCCNc1ccc2ccccc2[nH+]1 ZINC000436306015 429195051 /nfs/dbraw/zinc/19/50/51/429195051.db2.gz HPJGVVARMOYAIG-UHFFFAOYSA-N 1 2 313.364 3.502 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1Cl ZINC000424968096 429214707 /nfs/dbraw/zinc/21/47/07/429214707.db2.gz UNXYRDBXMFMPMY-DZGCQCFKSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1Cl ZINC000424968096 429214711 /nfs/dbraw/zinc/21/47/11/429214711.db2.gz UNXYRDBXMFMPMY-DZGCQCFKSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@]([NH2+]Cc1ccc(C#N)cc1Cl)(C(N)=O)c1ccccc1 ZINC000439435895 429218000 /nfs/dbraw/zinc/21/80/00/429218000.db2.gz HMILBXHCDMHXAC-KRWDZBQOSA-N 1 2 313.788 2.702 20 30 DFEDLO N#CCc1cccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000455920174 429224895 /nfs/dbraw/zinc/22/48/95/429224895.db2.gz NFEVPHUFURERGY-UHFFFAOYSA-N 1 2 309.373 2.607 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364429543 429203045 /nfs/dbraw/zinc/20/30/45/429203045.db2.gz ZYLFRWDULHLHIP-CQSZACIVSA-N 1 2 324.384 2.743 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000425126274 429236725 /nfs/dbraw/zinc/23/67/25/429236725.db2.gz HTIRYLIIIVSTSF-XJKSGUPXSA-N 1 2 308.385 2.537 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442900234 429240437 /nfs/dbraw/zinc/24/04/37/429240437.db2.gz REGOPOCFWCTPGJ-GFCCVEGCSA-N 1 2 308.341 2.981 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442900234 429240440 /nfs/dbraw/zinc/24/04/40/429240440.db2.gz REGOPOCFWCTPGJ-GFCCVEGCSA-N 1 2 308.341 2.981 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000489472594 429245086 /nfs/dbraw/zinc/24/50/86/429245086.db2.gz CIEIGCVMEZSPJS-CQSZACIVSA-N 1 2 309.431 2.509 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000489472594 429245090 /nfs/dbraw/zinc/24/50/90/429245090.db2.gz CIEIGCVMEZSPJS-CQSZACIVSA-N 1 2 309.431 2.509 20 30 DFEDLO COc1ccccc1N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425218825 429247210 /nfs/dbraw/zinc/24/72/10/429247210.db2.gz FWXWXQUUXKEZHC-UHFFFAOYSA-N 1 2 322.412 2.773 20 30 DFEDLO CN(C)c1ccc(Nc2ccc(C(F)(F)F)c(C#N)n2)c[nH+]1 ZINC000443436835 429249600 /nfs/dbraw/zinc/24/96/00/429249600.db2.gz KXIOQZXHHOVUFF-UHFFFAOYSA-N 1 2 307.279 3.177 20 30 DFEDLO Cc1cc(NCCOc2ncccc2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425243079 429249971 /nfs/dbraw/zinc/24/99/71/429249971.db2.gz SREQTOGWGKDVAU-UHFFFAOYSA-N 1 2 322.290 2.588 20 30 DFEDLO COC(=O)[C@@]1(c2ccccc2)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425269327 429254772 /nfs/dbraw/zinc/25/47/72/429254772.db2.gz QQWBMTDGKCKQGI-IBGZPJMESA-N 1 2 321.380 2.583 20 30 DFEDLO C=C[C@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443554409 429255270 /nfs/dbraw/zinc/25/52/70/429255270.db2.gz UZCASWGYKQIOAT-LBPRGKRZSA-N 1 2 307.825 2.572 20 30 DFEDLO C=C[C@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443554409 429255273 /nfs/dbraw/zinc/25/52/73/429255273.db2.gz UZCASWGYKQIOAT-LBPRGKRZSA-N 1 2 307.825 2.572 20 30 DFEDLO Cc1cc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425271085 429256427 /nfs/dbraw/zinc/25/64/27/429256427.db2.gz UPKPEISSMSXOPB-KRWDZBQOSA-N 1 2 301.390 2.820 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000425325946 429263618 /nfs/dbraw/zinc/26/36/18/429263618.db2.gz OYTMKWXRROAPGU-SFHVURJKSA-N 1 2 323.444 2.674 20 30 DFEDLO C=CC[C@H]1[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CCCC1(C)C ZINC000444777991 429276217 /nfs/dbraw/zinc/27/62/17/429276217.db2.gz UVYWKSVAXDDQOS-CQSZACIVSA-N 1 2 300.406 2.589 20 30 DFEDLO C=CC[C@H]1[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CCCC1(C)C ZINC000444777991 429276224 /nfs/dbraw/zinc/27/62/24/429276224.db2.gz UVYWKSVAXDDQOS-CQSZACIVSA-N 1 2 300.406 2.589 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425361082 429278083 /nfs/dbraw/zinc/27/80/83/429278083.db2.gz XELLTNFORBWVDA-XJKSGUPXSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425361082 429278087 /nfs/dbraw/zinc/27/80/87/429278087.db2.gz XELLTNFORBWVDA-XJKSGUPXSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425361077 429278108 /nfs/dbraw/zinc/27/81/08/429278108.db2.gz XELLTNFORBWVDA-BBRMVZONSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425361077 429278109 /nfs/dbraw/zinc/27/81/09/429278109.db2.gz XELLTNFORBWVDA-BBRMVZONSA-N 1 2 317.433 2.839 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000456344267 429281968 /nfs/dbraw/zinc/28/19/68/429281968.db2.gz FQWVTVRPOZFZRY-GDBMZVCRSA-N 1 2 310.401 2.853 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425531779 429317989 /nfs/dbraw/zinc/31/79/89/429317989.db2.gz HWZMDJLDGFTPQC-LBPRGKRZSA-N 1 2 314.414 2.955 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425531779 429317993 /nfs/dbraw/zinc/31/79/93/429317993.db2.gz HWZMDJLDGFTPQC-LBPRGKRZSA-N 1 2 314.414 2.955 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C(C)C ZINC000491023300 429320014 /nfs/dbraw/zinc/32/00/14/429320014.db2.gz WXVZILKBFMDRBP-INIZCTEOSA-N 1 2 314.433 2.529 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425543281 429320462 /nfs/dbraw/zinc/32/04/62/429320462.db2.gz OQSCWUVVWVNDHR-CYBMUJFWSA-N 1 2 324.384 2.864 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCCCC1 ZINC000448899396 429320501 /nfs/dbraw/zinc/32/05/01/429320501.db2.gz WANNUPOINDOIJT-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCCC1 ZINC000448899396 429320503 /nfs/dbraw/zinc/32/05/03/429320503.db2.gz WANNUPOINDOIJT-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO COc1nccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000449046524 429323321 /nfs/dbraw/zinc/32/33/21/429323321.db2.gz LLLJSYJEZRSTPQ-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000449046524 429323325 /nfs/dbraw/zinc/32/33/25/429323325.db2.gz LLLJSYJEZRSTPQ-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Cl)cc2)n1 ZINC000491145903 429327637 /nfs/dbraw/zinc/32/76/37/429327637.db2.gz MYILCMQUPKLJDP-UHFFFAOYSA-N 1 2 317.820 2.818 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Cl)cc2)n1 ZINC000491145903 429327642 /nfs/dbraw/zinc/32/76/42/429327642.db2.gz MYILCMQUPKLJDP-UHFFFAOYSA-N 1 2 317.820 2.818 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491193447 429334138 /nfs/dbraw/zinc/33/41/38/429334138.db2.gz ZLENTJNSUBKPMZ-UHFFFAOYSA-N 1 2 324.428 2.884 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000505601133 429342024 /nfs/dbraw/zinc/34/20/24/429342024.db2.gz CXQDWYZDGDCJLW-UHFFFAOYSA-N 1 2 324.771 2.832 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)CCC3)n1 ZINC000491288299 429343799 /nfs/dbraw/zinc/34/37/99/429343799.db2.gz QORMSWLKPLKCAK-UHFFFAOYSA-N 1 2 323.440 2.654 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)CCC3)n1 ZINC000491288299 429343801 /nfs/dbraw/zinc/34/38/01/429343801.db2.gz QORMSWLKPLKCAK-UHFFFAOYSA-N 1 2 323.440 2.654 20 30 DFEDLO CNC(=O)Oc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000495902776 429290360 /nfs/dbraw/zinc/29/03/60/429290360.db2.gz DFJHYKGRKTYWCT-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446066711 429297477 /nfs/dbraw/zinc/29/74/77/429297477.db2.gz CDYFXKHFNDTYBJ-FRRDWIJNSA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446066711 429297480 /nfs/dbraw/zinc/29/74/80/429297480.db2.gz CDYFXKHFNDTYBJ-FRRDWIJNSA-N 1 2 312.373 2.606 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405891 429303606 /nfs/dbraw/zinc/30/36/06/429303606.db2.gz RKKJHIZNEYDGNT-AWEZNQCLSA-N 1 2 318.465 2.728 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405891 429303609 /nfs/dbraw/zinc/30/36/09/429303609.db2.gz RKKJHIZNEYDGNT-AWEZNQCLSA-N 1 2 318.465 2.728 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)c2[nH+]ccn21 ZINC000456440256 429307954 /nfs/dbraw/zinc/30/79/54/429307954.db2.gz YKIDWXVUKCWEOQ-BMFZPTHFSA-N 1 2 308.385 2.778 20 30 DFEDLO Cc1cc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000496194898 429312104 /nfs/dbraw/zinc/31/21/04/429312104.db2.gz JKJXLZPNHHMHJH-GFCCVEGCSA-N 1 2 318.421 2.789 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448723660 429316234 /nfs/dbraw/zinc/31/62/34/429316234.db2.gz BXIKJAQKLKCRBU-UHFFFAOYSA-N 1 2 323.400 2.510 20 30 DFEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[nH]1 ZINC000449350887 429394023 /nfs/dbraw/zinc/39/40/23/429394023.db2.gz XRFBJXNOCAVGAX-UHFFFAOYSA-N 1 2 309.295 2.547 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491726248 429397177 /nfs/dbraw/zinc/39/71/77/429397177.db2.gz CWBVJYOLIARUIM-LPHOPBHVSA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491726248 429397181 /nfs/dbraw/zinc/39/71/81/429397181.db2.gz CWBVJYOLIARUIM-LPHOPBHVSA-N 1 2 311.429 2.565 20 30 DFEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491753394 429403927 /nfs/dbraw/zinc/40/39/27/429403927.db2.gz YWSNYWRHKNCWME-HNNXBMFYSA-N 1 2 316.792 2.600 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)nc(Cl)c2)n1 ZINC000491773304 429404889 /nfs/dbraw/zinc/40/48/89/429404889.db2.gz RKCSWYIJSLBNMP-UHFFFAOYSA-N 1 2 302.809 2.895 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)nc(Cl)c2)n1 ZINC000491773304 429404893 /nfs/dbraw/zinc/40/48/93/429404893.db2.gz RKCSWYIJSLBNMP-UHFFFAOYSA-N 1 2 302.809 2.895 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000491765620 429406134 /nfs/dbraw/zinc/40/61/34/429406134.db2.gz FUFMZKXNNPKFFD-SFHVURJKSA-N 1 2 308.381 2.940 20 30 DFEDLO C#CC[N@H+](C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000491765620 429406138 /nfs/dbraw/zinc/40/61/38/429406138.db2.gz FUFMZKXNNPKFFD-SFHVURJKSA-N 1 2 308.381 2.940 20 30 DFEDLO C#CCN(C(=O)C[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000365972651 429407897 /nfs/dbraw/zinc/40/78/97/429407897.db2.gz QTBMBDODRIWION-UHFFFAOYSA-N 1 2 302.443 2.511 20 30 DFEDLO C#CCN(C(=O)C[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000365972651 429407900 /nfs/dbraw/zinc/40/79/00/429407900.db2.gz QTBMBDODRIWION-UHFFFAOYSA-N 1 2 302.443 2.511 20 30 DFEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C1CCCCC1 ZINC000491425846 429359272 /nfs/dbraw/zinc/35/92/72/429359272.db2.gz CSUUGCBQVJIVAN-MRXNPFEDSA-N 1 2 314.433 2.849 20 30 DFEDLO C#CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000491438274 429361408 /nfs/dbraw/zinc/36/14/08/429361408.db2.gz BDSLYEMCTISMOA-UHFFFAOYSA-N 1 2 323.400 2.736 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000365730055 429364128 /nfs/dbraw/zinc/36/41/28/429364128.db2.gz ZOUALANUMPBOJU-CYBMUJFWSA-N 1 2 302.353 2.507 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(F)cc2C)n1 ZINC000491496121 429366131 /nfs/dbraw/zinc/36/61/31/429366131.db2.gz NVJOJLIBCFSIGR-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(F)cc2C)n1 ZINC000491496121 429366134 /nfs/dbraw/zinc/36/61/34/429366134.db2.gz NVJOJLIBCFSIGR-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456986860 429374167 /nfs/dbraw/zinc/37/41/67/429374167.db2.gz JMXCPHWTDRUQEW-INIZCTEOSA-N 1 2 320.433 2.543 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000516766179 429383705 /nfs/dbraw/zinc/38/37/05/429383705.db2.gz LRNRLGFOSBMBOY-UHFFFAOYSA-N 1 2 302.403 2.574 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)cc(OC)nc2C)n1 ZINC000491659699 429386069 /nfs/dbraw/zinc/38/60/69/429386069.db2.gz NHRBMNXIKIKLIG-UHFFFAOYSA-N 1 2 312.417 2.559 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)cc(OC)nc2C)n1 ZINC000491659699 429386073 /nfs/dbraw/zinc/38/60/73/429386073.db2.gz NHRBMNXIKIKLIG-UHFFFAOYSA-N 1 2 312.417 2.559 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000517172149 429386193 /nfs/dbraw/zinc/38/61/93/429386193.db2.gz DRKPEGYPSXOZKS-PXAZEXFGSA-N 1 2 308.385 2.654 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000517172149 429386199 /nfs/dbraw/zinc/38/61/99/429386199.db2.gz DRKPEGYPSXOZKS-PXAZEXFGSA-N 1 2 308.385 2.654 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366228126 429439260 /nfs/dbraw/zinc/43/92/60/429439260.db2.gz LIKXTMTWWXYYDF-ZBFHGGJFSA-N 1 2 308.385 2.773 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000366228126 429439263 /nfs/dbraw/zinc/43/92/63/429439263.db2.gz LIKXTMTWWXYYDF-ZBFHGGJFSA-N 1 2 308.385 2.773 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000366341247 429447766 /nfs/dbraw/zinc/44/77/66/429447766.db2.gz JYEZHFPOKFRDAD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000366341247 429447772 /nfs/dbraw/zinc/44/77/72/429447772.db2.gz JYEZHFPOKFRDAD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000519277372 429452476 /nfs/dbraw/zinc/45/24/76/429452476.db2.gz FBFDLOBPUIRMEC-WBVHZDCISA-N 1 2 321.380 2.607 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000519277372 429452482 /nfs/dbraw/zinc/45/24/82/429452482.db2.gz FBFDLOBPUIRMEC-WBVHZDCISA-N 1 2 321.380 2.607 20 30 DFEDLO CN1C(=O)C[C@@H]([NH2+]CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519517709 429460260 /nfs/dbraw/zinc/46/02/60/429460260.db2.gz OWPGDPOPZSTHAP-HIFRSBDPSA-N 1 2 321.783 2.644 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000491831752 429417255 /nfs/dbraw/zinc/41/72/55/429417255.db2.gz KVPLBELVIGAPFE-UHFFFAOYSA-N 1 2 321.218 2.933 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000491831752 429417257 /nfs/dbraw/zinc/41/72/57/429417257.db2.gz KVPLBELVIGAPFE-UHFFFAOYSA-N 1 2 321.218 2.933 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000492162609 429479181 /nfs/dbraw/zinc/47/91/81/429479181.db2.gz MCBZBCUFCBNNJW-QNRLHKFMSA-N 1 2 320.396 2.878 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519826172 429493397 /nfs/dbraw/zinc/49/33/97/429493397.db2.gz RAEJYFVUCKETMW-QGZVFWFLSA-N 1 2 320.396 2.532 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000367001525 429556334 /nfs/dbraw/zinc/55/63/34/429556334.db2.gz FYBVNDJGFHQMJV-IUODEOHRSA-N 1 2 324.359 2.803 20 30 DFEDLO CC(C)n1cncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000521994588 429573195 /nfs/dbraw/zinc/57/31/95/429573195.db2.gz BCVQFACOUWGPIG-UHFFFAOYSA-N 1 2 309.417 2.916 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000522004846 429574142 /nfs/dbraw/zinc/57/41/42/429574142.db2.gz AKYKIZFAKNXPIK-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000522004846 429574145 /nfs/dbraw/zinc/57/41/45/429574145.db2.gz AKYKIZFAKNXPIK-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CCC1 ZINC000450252194 429585498 /nfs/dbraw/zinc/58/54/98/429585498.db2.gz GTTBBLGACXCTEW-UHFFFAOYSA-N 1 2 303.450 2.795 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CCC1 ZINC000450252194 429585504 /nfs/dbraw/zinc/58/55/04/429585504.db2.gz GTTBBLGACXCTEW-UHFFFAOYSA-N 1 2 303.450 2.795 20 30 DFEDLO C[C@H](c1csnn1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000450262663 429587031 /nfs/dbraw/zinc/58/70/31/429587031.db2.gz UGLVORPUJUJOSI-CYBMUJFWSA-N 1 2 313.430 2.683 20 30 DFEDLO C[C@H](c1csnn1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000450262663 429587035 /nfs/dbraw/zinc/58/70/35/429587035.db2.gz UGLVORPUJUJOSI-CYBMUJFWSA-N 1 2 313.430 2.683 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)s1 ZINC000449899169 429534582 /nfs/dbraw/zinc/53/45/82/429534582.db2.gz AVTZJFKKVPOQEU-DYVFJYSZSA-N 1 2 317.458 2.504 20 30 DFEDLO Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C#N ZINC000366899504 429536444 /nfs/dbraw/zinc/53/64/44/429536444.db2.gz DSBVAYRELYTMQI-QGZVFWFLSA-N 1 2 320.396 2.661 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492830660 429624804 /nfs/dbraw/zinc/62/48/04/429624804.db2.gz DDOGSHFKBYPCRF-CPFIRTDXSA-N 1 2 307.397 2.667 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccn(C)n1 ZINC000459796301 429702573 /nfs/dbraw/zinc/70/25/73/429702573.db2.gz RCKQFFCZNLPQDU-SNVBAGLBSA-N 1 2 306.316 2.744 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000475399588 429716497 /nfs/dbraw/zinc/71/64/97/429716497.db2.gz JCVMWVVRTLHLJH-UKRRQHHQSA-N 1 2 305.805 2.823 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000475399588 429716502 /nfs/dbraw/zinc/71/65/02/429716502.db2.gz JCVMWVVRTLHLJH-UKRRQHHQSA-N 1 2 305.805 2.823 20 30 DFEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507572 429723263 /nfs/dbraw/zinc/72/32/63/429723263.db2.gz MDGORRMRFYXVNM-CZUORRHYSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507572 429723269 /nfs/dbraw/zinc/72/32/69/429723269.db2.gz MDGORRMRFYXVNM-CZUORRHYSA-N 1 2 305.805 2.965 20 30 DFEDLO Fc1cccc(C[NH+]2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000483961287 429739264 /nfs/dbraw/zinc/73/92/64/429739264.db2.gz OYZOHIFEPBSKEC-UHFFFAOYSA-N 1 2 308.400 2.995 20 30 DFEDLO Fc1cccc(CN2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000483961287 429739268 /nfs/dbraw/zinc/73/92/68/429739268.db2.gz OYZOHIFEPBSKEC-UHFFFAOYSA-N 1 2 308.400 2.995 20 30 DFEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451283714 429802244 /nfs/dbraw/zinc/80/22/44/429802244.db2.gz NYLSGMOKBYWQQD-VQTJNVASSA-N 1 2 309.384 2.838 20 30 DFEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451283714 429802247 /nfs/dbraw/zinc/80/22/47/429802247.db2.gz NYLSGMOKBYWQQD-VQTJNVASSA-N 1 2 309.384 2.838 20 30 DFEDLO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000451404276 429822573 /nfs/dbraw/zinc/82/25/73/429822573.db2.gz NHTQFCINPXDLPB-UHFFFAOYSA-N 1 2 312.392 2.630 20 30 DFEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1(F)F ZINC000494214252 429860211 /nfs/dbraw/zinc/86/02/11/429860211.db2.gz ZKEZBKXDGIUXQH-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1(F)F ZINC000494214252 429860214 /nfs/dbraw/zinc/86/02/14/429860214.db2.gz ZKEZBKXDGIUXQH-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(F)F ZINC000494212279 429860450 /nfs/dbraw/zinc/86/04/50/429860450.db2.gz LIXRHHOVGJGUPR-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(F)F ZINC000494212279 429860452 /nfs/dbraw/zinc/86/04/52/429860452.db2.gz LIXRHHOVGJGUPR-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493696885 429811853 /nfs/dbraw/zinc/81/18/53/429811853.db2.gz RLIULBJUBWYCPH-GUFYHEMZSA-N 1 2 306.369 2.721 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000368620229 429879407 /nfs/dbraw/zinc/87/94/07/429879407.db2.gz XLBAEZOKSYCBPO-AWEZNQCLSA-N 1 2 314.776 2.922 20 30 DFEDLO CCc1nc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368683311 429886316 /nfs/dbraw/zinc/88/63/16/429886316.db2.gz DNMHZIBOWNRXQJ-OAHLLOKOSA-N 1 2 311.389 2.580 20 30 DFEDLO CCc1nc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368683311 429886319 /nfs/dbraw/zinc/88/63/19/429886319.db2.gz DNMHZIBOWNRXQJ-OAHLLOKOSA-N 1 2 311.389 2.580 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000368901600 429901039 /nfs/dbraw/zinc/90/10/39/429901039.db2.gz NSVRJIFBOXFCMO-UHFFFAOYSA-N 1 2 316.232 2.579 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000368901600 429901040 /nfs/dbraw/zinc/90/10/40/429901040.db2.gz NSVRJIFBOXFCMO-UHFFFAOYSA-N 1 2 316.232 2.579 20 30 DFEDLO COCCSCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369295943 429922882 /nfs/dbraw/zinc/92/28/82/429922882.db2.gz ZONZIQCVBAWUJA-CVEARBPZSA-N 1 2 312.479 2.683 20 30 DFEDLO COCCSCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369295943 429922883 /nfs/dbraw/zinc/92/28/83/429922883.db2.gz ZONZIQCVBAWUJA-CVEARBPZSA-N 1 2 312.479 2.683 20 30 DFEDLO CC[N@H+](CC(=O)NCC1(C#N)CC1)Cc1ccccc1Cl ZINC000557836342 429956227 /nfs/dbraw/zinc/95/62/27/429956227.db2.gz NVESMUDNOZVIDW-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO CC[N@@H+](CC(=O)NCC1(C#N)CC1)Cc1ccccc1Cl ZINC000557836342 429956231 /nfs/dbraw/zinc/95/62/31/429956231.db2.gz NVESMUDNOZVIDW-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO CC(C)OC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000573569657 429961955 /nfs/dbraw/zinc/96/19/55/429961955.db2.gz HDUDIYFGFCWXAJ-UHFFFAOYSA-N 1 2 303.362 2.856 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369391022 429937802 /nfs/dbraw/zinc/93/78/02/429937802.db2.gz HVZYPZJBOLSZDA-NVXWUHKLSA-N 1 2 302.422 2.891 20 30 DFEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573972888 429999329 /nfs/dbraw/zinc/99/93/29/429999329.db2.gz QCYFJJKZNRMSAI-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573972888 429999334 /nfs/dbraw/zinc/99/93/34/429999334.db2.gz QCYFJJKZNRMSAI-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000574133812 430013259 /nfs/dbraw/zinc/01/32/59/430013259.db2.gz NBMJFYGUNJOMJK-XJKSGUPXSA-N 1 2 311.385 2.813 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000637324316 430024509 /nfs/dbraw/zinc/02/45/09/430024509.db2.gz UZFXOJJJNXOWGK-DZGCQCFKSA-N 1 2 320.437 2.542 20 30 DFEDLO CC[N@H+](CCCNC(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000575857827 430100149 /nfs/dbraw/zinc/10/01/49/430100149.db2.gz IQOMTHBCXIVATH-UHFFFAOYSA-N 1 2 300.406 2.506 20 30 DFEDLO CC[N@@H+](CCCNC(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000575857827 430100155 /nfs/dbraw/zinc/10/01/55/430100155.db2.gz IQOMTHBCXIVATH-UHFFFAOYSA-N 1 2 300.406 2.506 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000576923803 430108760 /nfs/dbraw/zinc/10/87/60/430108760.db2.gz AFWSSZPDPAZTDV-IAGOWNOFSA-N 1 2 324.428 2.685 20 30 DFEDLO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N ZINC000640029485 430060539 /nfs/dbraw/zinc/06/05/39/430060539.db2.gz HEMZBRXERPJXJG-HUUCEWRRSA-N 1 2 314.385 2.655 20 30 DFEDLO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N ZINC000640029485 430060545 /nfs/dbraw/zinc/06/05/45/430060545.db2.gz HEMZBRXERPJXJG-HUUCEWRRSA-N 1 2 314.385 2.655 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000560846422 430069418 /nfs/dbraw/zinc/06/94/18/430069418.db2.gz KGWYTCPXHRJXFF-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000560846422 430069423 /nfs/dbraw/zinc/06/94/23/430069423.db2.gz KGWYTCPXHRJXFF-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2C#N)c2ccccc21 ZINC000580829826 430155015 /nfs/dbraw/zinc/15/50/15/430155015.db2.gz UMSRNCRHPUPQNU-INIZCTEOSA-N 1 2 306.369 2.593 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577960840 430119043 /nfs/dbraw/zinc/11/90/43/430119043.db2.gz AMRUBICEOUWASE-TZMCWYRMSA-N 1 2 311.389 2.686 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000580090426 430128993 /nfs/dbraw/zinc/12/89/93/430128993.db2.gz UDEGDPWUQGWQAU-WBVHZDCISA-N 1 2 305.397 2.921 20 30 DFEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc2ccccc2c1 ZINC000563220815 430180306 /nfs/dbraw/zinc/18/03/06/430180306.db2.gz VWPBWEQGNCDLKR-IFXJQAMLSA-N 1 2 309.413 2.903 20 30 DFEDLO N#CCC1CCN(c2cc(N3CCC(CC#N)CC3)[nH+]cn2)CC1 ZINC000541893193 430195171 /nfs/dbraw/zinc/19/51/71/430195171.db2.gz PSFBNMMUMOOUBE-UHFFFAOYSA-N 1 2 324.432 2.737 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)cc1 ZINC000541948519 430197369 /nfs/dbraw/zinc/19/73/69/430197369.db2.gz KCRWQDKVBZXADD-CYBMUJFWSA-N 1 2 313.401 2.842 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(COC(C)C)c1 ZINC000564736205 430198927 /nfs/dbraw/zinc/19/89/27/430198927.db2.gz NBZDIUHGYWZDOG-KRWDZBQOSA-N 1 2 317.433 2.510 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000565173610 430204677 /nfs/dbraw/zinc/20/46/77/430204677.db2.gz OEUQRYFPDAMVTJ-SECBINFHSA-N 1 2 302.403 2.667 20 30 DFEDLO N#CC1(CCC[N@@H+]2Cc3ccccc3NC(=O)C2)CCOCC1 ZINC000566430398 430259149 /nfs/dbraw/zinc/25/91/49/430259149.db2.gz RBSRKAZFVCOKEV-UHFFFAOYSA-N 1 2 313.401 2.541 20 30 DFEDLO N#CC1(CCC[N@H+]2Cc3ccccc3NC(=O)C2)CCOCC1 ZINC000566430398 430259152 /nfs/dbraw/zinc/25/91/52/430259152.db2.gz RBSRKAZFVCOKEV-UHFFFAOYSA-N 1 2 313.401 2.541 20 30 DFEDLO N#CC1CCC(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000566669016 430272012 /nfs/dbraw/zinc/27/20/12/430272012.db2.gz LUORKLLEOLAQHH-QWQCLYJRSA-N 1 2 313.380 2.953 20 30 DFEDLO N#CC1CCC(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000566669016 430272015 /nfs/dbraw/zinc/27/20/15/430272015.db2.gz LUORKLLEOLAQHH-QWQCLYJRSA-N 1 2 313.380 2.953 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)ccc2Cl)nn1 ZINC000640944895 430287232 /nfs/dbraw/zinc/28/72/32/430287232.db2.gz MXAZVAVGWMEZPQ-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(F)c1 ZINC000567935059 430295483 /nfs/dbraw/zinc/29/54/83/430295483.db2.gz ZPXHDVYFTFJIFT-CJNGLKHVSA-N 1 2 311.364 2.682 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C#N)CCc2ccccc2)[nH+]1 ZINC000583446004 430395712 /nfs/dbraw/zinc/39/57/12/430395712.db2.gz KCPNJSFODBJNNP-OAHLLOKOSA-N 1 2 310.401 2.842 20 30 DFEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890922 430404499 /nfs/dbraw/zinc/40/44/99/430404499.db2.gz CHWLMQXVWJVCEB-RDJZCZTQSA-N 1 2 302.418 2.740 20 30 DFEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890922 430404505 /nfs/dbraw/zinc/40/45/05/430404505.db2.gz CHWLMQXVWJVCEB-RDJZCZTQSA-N 1 2 302.418 2.740 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C#N)CC(C)C1 ZINC000584030263 430451996 /nfs/dbraw/zinc/45/19/96/430451996.db2.gz LANKWFYILHWRRA-UHFFFAOYSA-N 1 2 302.422 2.624 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000584181133 430468054 /nfs/dbraw/zinc/46/80/54/430468054.db2.gz PLIGNGPZISHOMV-WDEREUQCSA-N 1 2 311.332 2.897 20 30 DFEDLO Cn1cc([C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000569789125 430485721 /nfs/dbraw/zinc/48/57/21/430485721.db2.gz QPMPRLXJDLKIMW-INIZCTEOSA-N 1 2 302.422 2.658 20 30 DFEDLO Cn1cc([C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000569789125 430485725 /nfs/dbraw/zinc/48/57/25/430485725.db2.gz QPMPRLXJDLKIMW-INIZCTEOSA-N 1 2 302.422 2.658 20 30 DFEDLO N#Cc1nc(NCCCCNc2cccc[nH+]2)sc1Cl ZINC000590576455 430487320 /nfs/dbraw/zinc/48/73/20/430487320.db2.gz SNGRHVSHUXYZOB-UHFFFAOYSA-N 1 2 307.810 3.367 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252048 430496625 /nfs/dbraw/zinc/49/66/25/430496625.db2.gz QMSHXZDAGYIQEE-YJBOKZPZSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252048 430496629 /nfs/dbraw/zinc/49/66/29/430496629.db2.gz QMSHXZDAGYIQEE-YJBOKZPZSA-N 1 2 314.429 2.694 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618224 430503568 /nfs/dbraw/zinc/50/35/68/430503568.db2.gz ZHLUQOQZYZLAAM-CABCVRRESA-N 1 2 318.421 3.106 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618224 430503572 /nfs/dbraw/zinc/50/35/72/430503572.db2.gz ZHLUQOQZYZLAAM-CABCVRRESA-N 1 2 318.421 3.106 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@H]2CO)cc1Cl ZINC000639398945 430635622 /nfs/dbraw/zinc/63/56/22/430635622.db2.gz TTWZVWYFMBVDGR-CYBMUJFWSA-N 1 2 313.850 2.815 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1Cl ZINC000639398945 430635624 /nfs/dbraw/zinc/63/56/24/430635624.db2.gz TTWZVWYFMBVDGR-CYBMUJFWSA-N 1 2 313.850 2.815 20 30 DFEDLO C[C@H]1CN(c2ccccc2CNc2cc(CC#N)cc[nH+]2)CCO1 ZINC000571622345 430641067 /nfs/dbraw/zinc/64/10/67/430641067.db2.gz PNVPSAMNTRNCMA-HNNXBMFYSA-N 1 2 322.412 2.985 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664829807 430756529 /nfs/dbraw/zinc/75/65/29/430756529.db2.gz QUDUTSRBMZRYAM-KRWDZBQOSA-N 1 2 301.434 2.889 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664829807 430756534 /nfs/dbraw/zinc/75/65/34/430756534.db2.gz QUDUTSRBMZRYAM-KRWDZBQOSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CCCCCCNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000654666570 430772530 /nfs/dbraw/zinc/77/25/30/430772530.db2.gz PKEKYVORPKEYIM-HOCLYGCPSA-N 1 2 320.437 2.686 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651683037 430848310 /nfs/dbraw/zinc/84/83/10/430848310.db2.gz OTUXHUJLNHOOHP-UHFFFAOYSA-N 1 2 313.401 2.612 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198090 430993626 /nfs/dbraw/zinc/99/36/26/430993626.db2.gz DDTKUJNGBCEKAJ-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198090 430993630 /nfs/dbraw/zinc/99/36/30/430993630.db2.gz DDTKUJNGBCEKAJ-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=CCCCN(C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645754776 431063035 /nfs/dbraw/zinc/06/30/35/431063035.db2.gz JGECMCIJNYOCPB-UHFFFAOYSA-N 1 2 300.406 2.793 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655820052 431168312 /nfs/dbraw/zinc/16/83/12/431168312.db2.gz QTZIYCMKTDJXQC-HNNXBMFYSA-N 1 2 314.389 2.511 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000649857935 431332684 /nfs/dbraw/zinc/33/26/84/431332684.db2.gz UMAIIPAGBYGMFM-CQSZACIVSA-N 1 2 322.836 2.960 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000649857935 431332691 /nfs/dbraw/zinc/33/26/91/431332691.db2.gz UMAIIPAGBYGMFM-CQSZACIVSA-N 1 2 322.836 2.960 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(c3nccs3)CC2)nn1 ZINC000653530300 431421341 /nfs/dbraw/zinc/42/13/41/431421341.db2.gz XGYKIHRTUGXNHX-UHFFFAOYSA-N 1 2 303.435 2.690 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccccc2F)nn1 ZINC000653484462 431396794 /nfs/dbraw/zinc/39/67/94/431396794.db2.gz LLAORLLHQZHALR-UHFFFAOYSA-N 1 2 304.369 2.504 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccccc2F)nn1 ZINC000653484462 431396804 /nfs/dbraw/zinc/39/68/04/431396804.db2.gz LLAORLLHQZHALR-UHFFFAOYSA-N 1 2 304.369 2.504 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOCc2ccccc2)nn1 ZINC000653568529 431442225 /nfs/dbraw/zinc/44/22/25/431442225.db2.gz ZWFVSILGMYZITR-UHFFFAOYSA-N 1 2 300.406 2.503 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOCc2ccccc2)nn1 ZINC000653568529 431442231 /nfs/dbraw/zinc/44/22/31/431442231.db2.gz ZWFVSILGMYZITR-UHFFFAOYSA-N 1 2 300.406 2.503 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](n3nc(C)cc3C)C2)nn1 ZINC000653552248 431431981 /nfs/dbraw/zinc/43/19/81/431431981.db2.gz NFPHWSANOBKUHZ-QGZVFWFLSA-N 1 2 314.437 2.505 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](n3nc(C)cc3C)C2)nn1 ZINC000653552248 431431988 /nfs/dbraw/zinc/43/19/88/431431988.db2.gz NFPHWSANOBKUHZ-QGZVFWFLSA-N 1 2 314.437 2.505 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663776975 431534694 /nfs/dbraw/zinc/53/46/94/431534694.db2.gz VDXAHRFMXIIYIR-AWEZNQCLSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663776975 431534699 /nfs/dbraw/zinc/53/46/99/431534699.db2.gz VDXAHRFMXIIYIR-AWEZNQCLSA-N 1 2 304.438 2.985 20 30 DFEDLO C=C(CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccccc1 ZINC000663909748 431587783 /nfs/dbraw/zinc/58/77/83/431587783.db2.gz AURUDGSCEMRUJM-UHFFFAOYSA-N 1 2 324.428 2.953 20 30 DFEDLO C=C(CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccccc1 ZINC000663909748 431587790 /nfs/dbraw/zinc/58/77/90/431587790.db2.gz AURUDGSCEMRUJM-UHFFFAOYSA-N 1 2 324.428 2.953 20 30 DFEDLO C=CCOc1ccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000661164158 431756944 /nfs/dbraw/zinc/75/69/44/431756944.db2.gz DCRQOIDZRCJJDV-ZDUSSCGKSA-N 1 2 314.389 2.545 20 30 DFEDLO C=CCOCCCNc1nc(C)[nH+]c(C)c1Br ZINC000664383777 431757110 /nfs/dbraw/zinc/75/71/10/431757110.db2.gz ASEXJUHARKOPEO-UHFFFAOYSA-N 1 2 300.200 2.861 20 30 DFEDLO C=CC[N@H+](Cc1ncc(Br)s1)[C@H](C)COC ZINC000661238972 431790343 /nfs/dbraw/zinc/79/03/43/431790343.db2.gz BAHZUWHCMLYOJD-SECBINFHSA-N 1 2 305.241 2.929 20 30 DFEDLO C=CC[N@@H+](Cc1ncc(Br)s1)[C@H](C)COC ZINC000661238972 431790346 /nfs/dbraw/zinc/79/03/46/431790346.db2.gz BAHZUWHCMLYOJD-SECBINFHSA-N 1 2 305.241 2.929 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2C)no1)[C@@H](C)COC ZINC000661244722 431793836 /nfs/dbraw/zinc/79/38/36/431793836.db2.gz XRCASWCTGLDYBG-HNNXBMFYSA-N 1 2 315.417 2.992 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)[C@@H](C)COC ZINC000661244722 431793843 /nfs/dbraw/zinc/79/38/43/431793843.db2.gz XRCASWCTGLDYBG-HNNXBMFYSA-N 1 2 315.417 2.992 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664572240 431821818 /nfs/dbraw/zinc/82/18/18/431821818.db2.gz MOWAVYKSJNDTDR-GASCZTMLSA-N 1 2 314.433 2.515 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664572240 431821823 /nfs/dbraw/zinc/82/18/23/431821823.db2.gz MOWAVYKSJNDTDR-GASCZTMLSA-N 1 2 314.433 2.515 20 30 DFEDLO C=CCCCS(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292471677 335090398 /nfs/dbraw/zinc/09/03/98/335090398.db2.gz CKUZPFLVIKGEFU-HNNXBMFYSA-N 1 2 319.430 2.727 20 30 DFEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C#N ZINC000191304248 294234268 /nfs/dbraw/zinc/23/42/68/294234268.db2.gz YKJCPCWFSWETKV-MRXNPFEDSA-N 1 2 324.432 2.552 20 30 DFEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C#N ZINC000191304248 294234273 /nfs/dbraw/zinc/23/42/73/294234273.db2.gz YKJCPCWFSWETKV-MRXNPFEDSA-N 1 2 324.432 2.552 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000154707253 295305299 /nfs/dbraw/zinc/30/52/99/295305299.db2.gz IOSMYBCLHMBBQG-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO COc1cc(C#N)ccc1CSc1[nH+]cnc2c1cnn2C ZINC000154965245 295310262 /nfs/dbraw/zinc/31/02/62/295310262.db2.gz BMJVMBXENOBJPE-UHFFFAOYSA-N 1 2 311.370 2.536 20 30 DFEDLO N#Cc1cccc(CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000530908987 301071272 /nfs/dbraw/zinc/07/12/72/301071272.db2.gz XCGZUFYMHRMLJK-UHFFFAOYSA-N 1 2 316.364 2.603 20 30 DFEDLO CCCCn1nnnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535046105 301245457 /nfs/dbraw/zinc/24/54/57/301245457.db2.gz PDARVWULHORTEV-UHFFFAOYSA-N 1 2 322.416 2.634 20 30 DFEDLO CCCCn1nnnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535046105 301245460 /nfs/dbraw/zinc/24/54/60/301245460.db2.gz PDARVWULHORTEV-UHFFFAOYSA-N 1 2 322.416 2.634 20 30 DFEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1Cl ZINC000548306311 301577904 /nfs/dbraw/zinc/57/79/04/301577904.db2.gz UKAVSBQJACHAQG-CYBMUJFWSA-N 1 2 314.776 2.716 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000548632890 301601776 /nfs/dbraw/zinc/60/17/76/301601776.db2.gz GWVLZGQWISUDEF-ZDUSSCGKSA-N 1 2 314.776 2.955 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000563204605 302049166 /nfs/dbraw/zinc/04/91/66/302049166.db2.gz UMAKOLDPLBOXMU-YOEHRIQHSA-N 1 2 322.412 2.927 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000563285578 302059030 /nfs/dbraw/zinc/05/90/30/302059030.db2.gz NQKXQRPNDMDOIS-DANNLKNASA-N 1 2 306.369 2.680 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563347774 302064484 /nfs/dbraw/zinc/06/44/84/302064484.db2.gz CKDXGDWZXURPLZ-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563347774 302064486 /nfs/dbraw/zinc/06/44/86/302064486.db2.gz CKDXGDWZXURPLZ-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567276228 302347076 /nfs/dbraw/zinc/34/70/76/302347076.db2.gz ACVMFWNQVVAJKZ-UHFFFAOYSA-N 1 2 302.359 2.863 20 30 DFEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567276228 302347078 /nfs/dbraw/zinc/34/70/78/302347078.db2.gz ACVMFWNQVVAJKZ-UHFFFAOYSA-N 1 2 302.359 2.863 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000187187211 303180877 /nfs/dbraw/zinc/18/08/77/303180877.db2.gz DYSAVGGEZBZROV-LSDHHAIUSA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000187187211 303180878 /nfs/dbraw/zinc/18/08/78/303180878.db2.gz DYSAVGGEZBZROV-LSDHHAIUSA-N 1 2 308.834 2.918 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000370412544 303192144 /nfs/dbraw/zinc/19/21/44/303192144.db2.gz BTZGSGXUXHFVSL-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000370412544 303192147 /nfs/dbraw/zinc/19/21/47/303192147.db2.gz BTZGSGXUXHFVSL-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000183093872 316130280 /nfs/dbraw/zinc/13/02/80/316130280.db2.gz IFNMGJXZQAVECU-VGOFRKELSA-N 1 2 316.401 2.907 20 30 DFEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000183958339 316156256 /nfs/dbraw/zinc/15/62/56/316156256.db2.gz KGIVLLBLVBGFCR-UHFFFAOYSA-N 1 2 314.414 2.787 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000185012745 316177947 /nfs/dbraw/zinc/17/79/47/316177947.db2.gz HRDAJBCLEBTBJI-NSHDSACASA-N 1 2 300.387 2.613 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC000351268012 316501449 /nfs/dbraw/zinc/50/14/49/316501449.db2.gz JAZOLXJQQHXFQN-LSDHHAIUSA-N 1 2 305.341 2.537 20 30 DFEDLO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)ccc1Cl ZINC000543617824 317830482 /nfs/dbraw/zinc/83/04/82/317830482.db2.gz GHIUQKRWYJVSCO-UHFFFAOYSA-N 1 2 302.765 2.618 20 30 DFEDLO Cc1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)c[nH+]1 ZINC000574855239 318044625 /nfs/dbraw/zinc/04/46/25/318044625.db2.gz UVTHPRVYBLSPDQ-UHFFFAOYSA-N 1 2 318.336 2.899 20 30 DFEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000577332797 318184978 /nfs/dbraw/zinc/18/49/78/318184978.db2.gz HAZBTJOHZDUZCH-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000577332797 318184979 /nfs/dbraw/zinc/18/49/79/318184979.db2.gz HAZBTJOHZDUZCH-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000578049968 318234417 /nfs/dbraw/zinc/23/44/17/318234417.db2.gz MDAIDNNOYSBODU-HZPDHXFCSA-N 1 2 320.396 2.895 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000578049968 318234418 /nfs/dbraw/zinc/23/44/18/318234418.db2.gz MDAIDNNOYSBODU-HZPDHXFCSA-N 1 2 320.396 2.895 20 30 DFEDLO Cn1ccnc1[C@@H]1N(Cc2c[nH+]c3ccc(C#N)cn23)CC1(C)C ZINC000579078231 318305344 /nfs/dbraw/zinc/30/53/44/318305344.db2.gz LMUVAHYNUOGIAU-INIZCTEOSA-N 1 2 320.400 2.523 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CC4(CCC4)[C@@H]3c3ccco3)cnc12 ZINC000580196225 318382825 /nfs/dbraw/zinc/38/28/25/318382825.db2.gz AYFMSJOHNUOAOD-INIZCTEOSA-N 1 2 319.368 2.921 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CC4(CCC4)[C@@H]3c3ccco3)cnc12 ZINC000580196225 318382826 /nfs/dbraw/zinc/38/28/26/318382826.db2.gz AYFMSJOHNUOAOD-INIZCTEOSA-N 1 2 319.368 2.921 20 30 DFEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)cc1 ZINC000387948024 323328447 /nfs/dbraw/zinc/32/84/47/323328447.db2.gz VIZIEFVATSHUPU-UHFFFAOYSA-N 1 2 309.350 2.907 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000564585024 331720047 /nfs/dbraw/zinc/72/00/47/331720047.db2.gz MGTNNYLTXPHFOS-STQMWFEESA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCOCC1 ZINC000078407283 331962009 /nfs/dbraw/zinc/96/20/09/331962009.db2.gz BTKRBDORVXVJAT-VJCPFXPRSA-N 1 2 317.216 2.839 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1OCCCC#N ZINC000092018233 332117672 /nfs/dbraw/zinc/11/76/72/332117672.db2.gz QFWIIQQEJNZEOB-CABCVRRESA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1OCCCC#N ZINC000092018233 332117673 /nfs/dbraw/zinc/11/76/73/332117673.db2.gz QFWIIQQEJNZEOB-CABCVRRESA-N 1 2 318.417 2.987 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCc3cncnc3C2)cc1 ZINC000427011140 332164369 /nfs/dbraw/zinc/16/43/69/332164369.db2.gz CJKQLTHUWRBDIA-UHFFFAOYSA-N 1 2 317.314 2.905 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCc3cncnc3C2)cc1 ZINC000427011140 332164371 /nfs/dbraw/zinc/16/43/71/332164371.db2.gz CJKQLTHUWRBDIA-UHFFFAOYSA-N 1 2 317.314 2.905 20 30 DFEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000103469491 332239385 /nfs/dbraw/zinc/23/93/85/332239385.db2.gz DTDQTMCFFQACAQ-UHFFFAOYSA-N 1 2 309.797 2.913 20 30 DFEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000103469491 332239386 /nfs/dbraw/zinc/23/93/86/332239386.db2.gz DTDQTMCFFQACAQ-UHFFFAOYSA-N 1 2 309.797 2.913 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152391411 332283511 /nfs/dbraw/zinc/28/35/11/332283511.db2.gz WEXDIHMTLMCFGD-ZIAGYGMSSA-N 1 2 323.799 2.890 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152391411 332283512 /nfs/dbraw/zinc/28/35/12/332283512.db2.gz WEXDIHMTLMCFGD-ZIAGYGMSSA-N 1 2 323.799 2.890 20 30 DFEDLO C=CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000448034392 332312570 /nfs/dbraw/zinc/31/25/70/332312570.db2.gz ICFUYDHTOUEHAR-DHZHZOJOSA-N 1 2 313.445 2.993 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(C(=O)N(C)C)CCCC2)c1 ZINC000113006296 332318416 /nfs/dbraw/zinc/31/84/16/332318416.db2.gz KSSYOXZJLJRKCK-XDHOZWIPSA-N 1 2 318.417 2.858 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000174226235 333083519 /nfs/dbraw/zinc/08/35/19/333083519.db2.gz FIBXUEOSJCUVSW-SNVBAGLBSA-N 1 2 324.406 2.648 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000176578802 333115456 /nfs/dbraw/zinc/11/54/56/333115456.db2.gz BBYCKVCBALWVMO-MRXNPFEDSA-N 1 2 310.401 2.933 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000176578784 333115525 /nfs/dbraw/zinc/11/55/25/333115525.db2.gz BBYCKVCBALWVMO-INIZCTEOSA-N 1 2 310.401 2.933 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000584331378 333118704 /nfs/dbraw/zinc/11/87/04/333118704.db2.gz ATSPVKGDHOSKAJ-IBGZPJMESA-N 1 2 322.412 2.935 20 30 DFEDLO C=CCOCCCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294247007 335122183 /nfs/dbraw/zinc/12/21/83/335122183.db2.gz RIEALRACBJYWPO-KRWDZBQOSA-N 1 2 313.401 2.940 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179237166 333148297 /nfs/dbraw/zinc/14/82/97/333148297.db2.gz ZASMGSBJUCALAM-HZPDHXFCSA-N 1 2 303.381 2.599 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000179237166 333148298 /nfs/dbraw/zinc/14/82/98/333148298.db2.gz ZASMGSBJUCALAM-HZPDHXFCSA-N 1 2 303.381 2.599 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497172037 333201646 /nfs/dbraw/zinc/20/16/46/333201646.db2.gz XILBYUYJTCMMQI-GFCCVEGCSA-N 1 2 317.227 2.638 20 30 DFEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497172037 333201647 /nfs/dbraw/zinc/20/16/47/333201647.db2.gz XILBYUYJTCMMQI-GFCCVEGCSA-N 1 2 317.227 2.638 20 30 DFEDLO C#CCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000295092847 335131872 /nfs/dbraw/zinc/13/18/72/335131872.db2.gz UAGALUDWZCMXMO-UHFFFAOYSA-N 1 2 321.302 2.797 20 30 DFEDLO CC(C)N(C)c1ccc(/C=C2/CCc3c(cnn3C)C2=O)c[nH+]1 ZINC000191269999 333278813 /nfs/dbraw/zinc/27/88/13/333278813.db2.gz WNMVUZZPYVNWNI-ZROIWOOFSA-N 1 2 310.401 2.872 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295362343 335133675 /nfs/dbraw/zinc/13/36/75/335133675.db2.gz CMSSGCXRMHBYSJ-QGZVFWFLSA-N 1 2 307.397 2.554 20 30 DFEDLO CC#CC[NH+]1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000295447136 335135138 /nfs/dbraw/zinc/13/51/38/335135138.db2.gz DXJAVYIXNMHIIZ-UHFFFAOYSA-N 1 2 313.397 2.538 20 30 DFEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000119534191 333352049 /nfs/dbraw/zinc/35/20/49/333352049.db2.gz BLKZGAGXKHUDNN-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OC ZINC000354026541 333355789 /nfs/dbraw/zinc/35/57/89/333355789.db2.gz VJTAVJQMUQZQIA-LBPRGKRZSA-N 1 2 304.390 2.836 20 30 DFEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OC ZINC000354026541 333355790 /nfs/dbraw/zinc/35/57/90/333355790.db2.gz VJTAVJQMUQZQIA-LBPRGKRZSA-N 1 2 304.390 2.836 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000365166245 333356021 /nfs/dbraw/zinc/35/60/21/333356021.db2.gz XTLTYTLUPPSGDD-ZWKOTPCHSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000365166245 333356023 /nfs/dbraw/zinc/35/60/23/333356023.db2.gz XTLTYTLUPPSGDD-ZWKOTPCHSA-N 1 2 315.413 2.821 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000365197986 333356527 /nfs/dbraw/zinc/35/65/27/333356527.db2.gz BDKBBUWTMZDBQQ-OAHLLOKOSA-N 1 2 323.400 2.898 20 30 DFEDLO C=C[C@@H](CC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000365581554 333410695 /nfs/dbraw/zinc/41/06/95/333410695.db2.gz PAZPVFBOUXLXFV-CVEARBPZSA-N 1 2 309.413 2.922 20 30 DFEDLO C#CCC(C)(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000185576631 335141378 /nfs/dbraw/zinc/14/13/78/335141378.db2.gz GWDGTJWZCXDCJK-CQSZACIVSA-N 1 2 308.372 2.733 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000296276704 335142782 /nfs/dbraw/zinc/14/27/82/335142782.db2.gz PUVMMVKFBFXNHG-AWEZNQCLSA-N 1 2 324.380 2.830 20 30 DFEDLO CCC(C)(C)N(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410727023 333556016 /nfs/dbraw/zinc/55/60/16/333556016.db2.gz ZGPSSUVYIRFAPX-UHFFFAOYSA-N 1 2 315.408 2.894 20 30 DFEDLO CC#CCCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000185803550 335152599 /nfs/dbraw/zinc/15/25/99/335152599.db2.gz KHKLCKFPBVHPQL-UHFFFAOYSA-N 1 2 309.413 2.936 20 30 DFEDLO N#CCc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000340036190 333778234 /nfs/dbraw/zinc/77/82/34/333778234.db2.gz BJFTVQJXIMSQNS-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000412848149 333807316 /nfs/dbraw/zinc/80/73/16/333807316.db2.gz YQDBWWYQNJWDAI-IRXDYDNUSA-N 1 2 309.413 2.749 20 30 DFEDLO N#CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000265629220 333967181 /nfs/dbraw/zinc/96/71/81/333967181.db2.gz PQTRLKMZGIPGOC-UHFFFAOYSA-N 1 2 308.385 2.840 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000266221571 333972494 /nfs/dbraw/zinc/97/24/94/333972494.db2.gz RPJYMKAGQNAMDL-CQSZACIVSA-N 1 2 316.405 2.722 20 30 DFEDLO N#CCC[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000269641308 334002938 /nfs/dbraw/zinc/00/29/38/334002938.db2.gz XMSAYGXVZKWLCO-INIZCTEOSA-N 1 2 323.400 2.838 20 30 DFEDLO C=CCc1cc(C[NH2+][C@@H](C)c2csnn2)cc(OC)c1O ZINC000414548245 334015265 /nfs/dbraw/zinc/01/52/65/334015265.db2.gz JQPLYXONTCRPQF-JTQLQIEISA-N 1 2 305.403 2.832 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272522296 334036490 /nfs/dbraw/zinc/03/64/90/334036490.db2.gz HMJLQSYQNWWWCU-ZDUSSCGKSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272545035 334036909 /nfs/dbraw/zinc/03/69/09/334036909.db2.gz KAXIJJMGJXFTBS-ZDUSSCGKSA-N 1 2 313.401 2.842 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272544992 334037033 /nfs/dbraw/zinc/03/70/33/334037033.db2.gz KANYWPXVTXVACM-LLVKDONJSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCC1 ZINC000272708005 334039058 /nfs/dbraw/zinc/03/90/58/334039058.db2.gz XMUFSDWCEMUAMQ-HNNXBMFYSA-N 1 2 324.384 2.588 20 30 DFEDLO N#CC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCC1 ZINC000272708005 334039060 /nfs/dbraw/zinc/03/90/60/334039060.db2.gz XMUFSDWCEMUAMQ-HNNXBMFYSA-N 1 2 324.384 2.588 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272993885 334041869 /nfs/dbraw/zinc/04/18/69/334041869.db2.gz GBYUHQNUUMCLOV-VXGBXAGGSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272993885 334041870 /nfs/dbraw/zinc/04/18/70/334041870.db2.gz GBYUHQNUUMCLOV-VXGBXAGGSA-N 1 2 316.323 2.537 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(C2(C#N)CCC2)n1 ZINC000274122837 334055203 /nfs/dbraw/zinc/05/52/03/334055203.db2.gz ZCDGUUSEMJYNEA-UHFFFAOYSA-N 1 2 307.357 2.975 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@H+](CCC#N)Cc1cccnc1 ZINC000278138277 334093108 /nfs/dbraw/zinc/09/31/08/334093108.db2.gz ANAZPDXJAJTKFR-UHFFFAOYSA-N 1 2 318.421 2.712 20 30 DFEDLO CC(C)(C)OC(=O)NCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC000278138277 334093111 /nfs/dbraw/zinc/09/31/11/334093111.db2.gz ANAZPDXJAJTKFR-UHFFFAOYSA-N 1 2 318.421 2.712 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)s1 ZINC000278688339 334099602 /nfs/dbraw/zinc/09/96/02/334099602.db2.gz SBIQZGWJWKURNN-KGLIPLIRSA-N 1 2 303.431 2.507 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000278918250 334103434 /nfs/dbraw/zinc/10/34/34/334103434.db2.gz UQCDZPBNKFLZPV-UHFFFAOYSA-N 1 2 314.364 2.925 20 30 DFEDLO C=CCCS(=O)(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000340046720 334114473 /nfs/dbraw/zinc/11/44/73/334114473.db2.gz VELKNXDUSZWAIY-UHFFFAOYSA-N 1 2 319.430 2.675 20 30 DFEDLO Cc1cccn2cc(CNC(=O)c3ccc(CC#N)cc3)[nH+]c12 ZINC000340170496 334140268 /nfs/dbraw/zinc/14/02/68/334140268.db2.gz PRSGRAOGIZBEHZ-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000285497605 334148350 /nfs/dbraw/zinc/14/83/50/334148350.db2.gz FBPIISVSGKHERB-KSSFIOAISA-N 1 2 315.417 2.958 20 30 DFEDLO O=S1(=O)CCC[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000287313172 334157086 /nfs/dbraw/zinc/15/70/86/334157086.db2.gz UQIRLNGFCLAVDH-VBEHJTROSA-N 1 2 317.410 2.789 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000292170130 334185129 /nfs/dbraw/zinc/18/51/29/334185129.db2.gz LUDDTAFYFSTLPM-SFHVURJKSA-N 1 2 311.429 2.972 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000292170130 334185130 /nfs/dbraw/zinc/18/51/30/334185130.db2.gz LUDDTAFYFSTLPM-SFHVURJKSA-N 1 2 311.429 2.972 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000293229522 334196603 /nfs/dbraw/zinc/19/66/03/334196603.db2.gz VXCWWOGSEFKQOQ-IOASZLSFSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000293229522 334196606 /nfs/dbraw/zinc/19/66/06/334196606.db2.gz VXCWWOGSEFKQOQ-IOASZLSFSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@]1(F)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295457734 334223477 /nfs/dbraw/zinc/22/34/77/334223477.db2.gz QANUAADUUBBOIY-KRWDZBQOSA-N 1 2 303.381 2.757 20 30 DFEDLO C[C@]1(F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295457734 334223478 /nfs/dbraw/zinc/22/34/78/334223478.db2.gz QANUAADUUBBOIY-KRWDZBQOSA-N 1 2 303.381 2.757 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298215462 334247195 /nfs/dbraw/zinc/24/71/95/334247195.db2.gz VCXKRKOUWBCSMW-MELADBBJSA-N 1 2 301.394 2.729 20 30 DFEDLO CCOC(=O)N[C@@H](C/[NH+]=C/c1cccc(O)c1O)CC(C)C ZINC000298400873 334248179 /nfs/dbraw/zinc/24/81/79/334248179.db2.gz JJALTYDCPTXHST-LFMVTYOGSA-N 1 2 308.378 2.678 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)OCC ZINC000534531054 334280680 /nfs/dbraw/zinc/28/06/80/334280680.db2.gz WPTCDYQIXIXYGH-MRXNPFEDSA-N 1 2 322.474 2.764 20 30 DFEDLO COCC1(C#N)CC[NH+](CC(=O)c2c[nH]c3ccccc32)CC1 ZINC000341990038 334503691 /nfs/dbraw/zinc/50/36/91/334503691.db2.gz LGQQXUGUFKCDRL-UHFFFAOYSA-N 1 2 311.385 2.603 20 30 DFEDLO C=CC1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000164699695 334641146 /nfs/dbraw/zinc/64/11/46/334641146.db2.gz ATXJINVNDKRTBQ-INIZCTEOSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164871715 334671508 /nfs/dbraw/zinc/67/15/08/334671508.db2.gz HUWHFDDXGVBLCF-OAHLLOKOSA-N 1 2 302.422 2.658 20 30 DFEDLO CSC[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328600888 334747834 /nfs/dbraw/zinc/74/78/34/334747834.db2.gz DMFHKWWBDYYSAS-OLZOCXBDSA-N 1 2 308.451 2.502 20 30 DFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328747680 334751321 /nfs/dbraw/zinc/75/13/21/334751321.db2.gz QCLNYVQKBLMXJV-RFUYNDQBSA-N 1 2 323.396 2.895 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328802238 334757998 /nfs/dbraw/zinc/75/79/98/334757998.db2.gz ZVIVNRJTHIESTB-JTQLQIEISA-N 1 2 305.769 2.504 20 30 DFEDLO Cc1nc(C)c(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000328852501 334760451 /nfs/dbraw/zinc/76/04/51/334760451.db2.gz IUSNRHFMFFEFRF-NSHDSACASA-N 1 2 305.407 2.528 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1C ZINC000331349845 334857747 /nfs/dbraw/zinc/85/77/47/334857747.db2.gz NOCXUEBGOSNJKW-ZDUSSCGKSA-N 1 2 322.453 2.578 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343274547 334900727 /nfs/dbraw/zinc/90/07/27/334900727.db2.gz CBWQINCFXOVCJQ-UHFFFAOYSA-N 1 2 315.408 2.752 20 30 DFEDLO CCN(CCC#N)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344696116 335267762 /nfs/dbraw/zinc/26/77/62/335267762.db2.gz UWSMTKYGWQRLOW-ZDUSSCGKSA-N 1 2 311.389 2.639 20 30 DFEDLO CSCC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000344664591 335269813 /nfs/dbraw/zinc/26/98/13/335269813.db2.gz IGVXDLUPRKDMJG-INIZCTEOSA-N 1 2 316.430 2.647 20 30 DFEDLO CO[C@H]1C[C@H](c2nnc(C3CC3)[nH]2)[N@H+](CCCC(C)(C)C#N)C1 ZINC000344675019 335270911 /nfs/dbraw/zinc/27/09/11/335270911.db2.gz KCIYPNMBBWESLZ-UONOGXRCSA-N 1 2 317.437 2.774 20 30 DFEDLO CO[C@H]1C[C@H](c2nnc(C3CC3)[nH]2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000344675019 335270912 /nfs/dbraw/zinc/27/09/12/335270912.db2.gz KCIYPNMBBWESLZ-UONOGXRCSA-N 1 2 317.437 2.774 20 30 DFEDLO C=CCn1cccc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000345811574 335352837 /nfs/dbraw/zinc/35/28/37/335352837.db2.gz HOBOBCRPTORVHF-UHFFFAOYSA-N 1 2 305.341 2.963 20 30 DFEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000346262533 335395957 /nfs/dbraw/zinc/39/59/57/335395957.db2.gz ORZCNYHYNAGWKF-STQMWFEESA-N 1 2 305.809 2.705 20 30 DFEDLO N#C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1c1ccccc1 ZINC000346416582 335409457 /nfs/dbraw/zinc/40/94/57/335409457.db2.gz ZRLSYFWJLUDKQB-DLBZAZTESA-N 1 2 316.364 2.714 20 30 DFEDLO N#CCc1ccccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000347936278 335540100 /nfs/dbraw/zinc/54/01/00/335540100.db2.gz HMAKJQKIBZJEAQ-UHFFFAOYSA-N 1 2 307.344 2.668 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1c(C)cc(C)cc1C ZINC000518995994 335769385 /nfs/dbraw/zinc/76/93/85/335769385.db2.gz QGILAKGMZXMGRK-INIZCTEOSA-N 1 2 301.434 2.552 20 30 DFEDLO C[C@@H](C#N)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082504 335818850 /nfs/dbraw/zinc/81/88/50/335818850.db2.gz QCCBQGLOQSVONN-ZDUSSCGKSA-N 1 2 321.384 2.883 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329308787 335962352 /nfs/dbraw/zinc/96/23/52/335962352.db2.gz FINJZBQIJRIKOS-NSHDSACASA-N 1 2 311.341 2.699 20 30 DFEDLO Cc1ccn2cc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)nc2c1 ZINC000329427862 335975188 /nfs/dbraw/zinc/97/51/88/335975188.db2.gz HMWSLCXXUPDSRT-CYBMUJFWSA-N 1 2 309.373 2.558 20 30 DFEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCC1(F)F ZINC000329598375 335999922 /nfs/dbraw/zinc/99/99/22/335999922.db2.gz JJEBIUFHSJJTHQ-NEPJUHHUSA-N 1 2 312.364 2.652 20 30 DFEDLO Cc1cccc2c1CN(C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000329618987 336011100 /nfs/dbraw/zinc/01/11/00/336011100.db2.gz QSMZGMFDINMYRN-AWEZNQCLSA-N 1 2 310.401 2.548 20 30 DFEDLO Cc1cccc2c1CN(C([O-])=[NH+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000329618987 336011101 /nfs/dbraw/zinc/01/11/01/336011101.db2.gz QSMZGMFDINMYRN-AWEZNQCLSA-N 1 2 310.401 2.548 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000351397670 336032099 /nfs/dbraw/zinc/03/20/99/336032099.db2.gz MRRQCNJHMVDYTD-UHFFFAOYSA-N 1 2 301.390 2.779 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000351397670 336032101 /nfs/dbraw/zinc/03/21/01/336032101.db2.gz MRRQCNJHMVDYTD-UHFFFAOYSA-N 1 2 301.390 2.779 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1)C1CC1 ZINC000329668063 336034330 /nfs/dbraw/zinc/03/43/30/336034330.db2.gz LQRJXMBTQWZGQO-FUHWJXTLSA-N 1 2 319.449 2.916 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1)C1CC1 ZINC000329668063 336034332 /nfs/dbraw/zinc/03/43/32/336034332.db2.gz LQRJXMBTQWZGQO-FUHWJXTLSA-N 1 2 319.449 2.916 20 30 DFEDLO C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000329680018 336037820 /nfs/dbraw/zinc/03/78/20/336037820.db2.gz XQYDWMIPQGOAAC-KGLIPLIRSA-N 1 2 320.437 2.708 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000351582586 336046929 /nfs/dbraw/zinc/04/69/29/336046929.db2.gz OQSLJQVNZCNMOL-UHFFFAOYSA-N 1 2 303.410 2.513 20 30 DFEDLO C=C(CNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000351586196 336047364 /nfs/dbraw/zinc/04/73/64/336047364.db2.gz ZOIUSXWQIDEVRI-UHFFFAOYSA-N 1 2 310.401 2.896 20 30 DFEDLO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329711824 336066485 /nfs/dbraw/zinc/06/64/85/336066485.db2.gz PCFSJFNAYQKRJN-CYBMUJFWSA-N 1 2 318.421 2.541 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329732450 336075235 /nfs/dbraw/zinc/07/52/35/336075235.db2.gz QDVIKRYJJREDAE-OAHLLOKOSA-N 1 2 310.401 2.548 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000329732450 336075236 /nfs/dbraw/zinc/07/52/36/336075236.db2.gz QDVIKRYJJREDAE-OAHLLOKOSA-N 1 2 310.401 2.548 20 30 DFEDLO N#CC1(c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000329742500 336076163 /nfs/dbraw/zinc/07/61/63/336076163.db2.gz WODUYCWOHBGVGD-UONOGXRCSA-N 1 2 316.405 2.721 20 30 DFEDLO N#CC1(c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCCCC1 ZINC000329742500 336076165 /nfs/dbraw/zinc/07/61/65/336076165.db2.gz WODUYCWOHBGVGD-UONOGXRCSA-N 1 2 316.405 2.721 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329745359 336076555 /nfs/dbraw/zinc/07/65/55/336076555.db2.gz YJFMPPUOGKWLES-HIFRSBDPSA-N 1 2 310.401 2.767 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329773627 336080369 /nfs/dbraw/zinc/08/03/69/336080369.db2.gz ICAVSGXAFJAKEG-CZUORRHYSA-N 1 2 320.437 2.514 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329773627 336080371 /nfs/dbraw/zinc/08/03/71/336080371.db2.gz ICAVSGXAFJAKEG-CZUORRHYSA-N 1 2 320.437 2.514 20 30 DFEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329784521 336081176 /nfs/dbraw/zinc/08/11/76/336081176.db2.gz WCMQWEJRCYNWOZ-SNUQEOBHSA-N 1 2 319.368 2.533 20 30 DFEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329784521 336081179 /nfs/dbraw/zinc/08/11/79/336081179.db2.gz WCMQWEJRCYNWOZ-SNUQEOBHSA-N 1 2 319.368 2.533 20 30 DFEDLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329804441 336084265 /nfs/dbraw/zinc/08/42/65/336084265.db2.gz ABPCKXMWJVUHMG-HZPDHXFCSA-N 1 2 310.401 2.949 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C=CCCC3)CC2)cc1 ZINC000329807499 336084311 /nfs/dbraw/zinc/08/43/11/336084311.db2.gz ORWOLJNXUFEOMJ-GOSISDBHSA-N 1 2 324.428 2.699 20 30 DFEDLO Cc1csc([C@H](NC(=O)N2CCn3cc[nH+]c3C2)C2CC2)n1 ZINC000329810257 336084801 /nfs/dbraw/zinc/08/48/01/336084801.db2.gz QOXNAIXZIXPKQT-CYBMUJFWSA-N 1 2 317.418 2.529 20 30 DFEDLO CC1(c2ccccc2)CC(NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329831446 336087344 /nfs/dbraw/zinc/08/73/44/336087344.db2.gz KCNCGZZFFCSGNN-UHFFFAOYSA-N 1 2 310.401 2.733 20 30 DFEDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cnn1 ZINC000329858173 336089715 /nfs/dbraw/zinc/08/97/15/336089715.db2.gz ZWHLSBPYOQACGE-ZDUSSCGKSA-N 1 2 313.405 2.599 20 30 DFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCCCC2)cn1 ZINC000329896503 336093327 /nfs/dbraw/zinc/09/33/27/336093327.db2.gz CNOBYPMPMHDWBW-HOTGVXAUSA-N 1 2 322.428 2.869 20 30 DFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCCCC2)cn1 ZINC000329896503 336093328 /nfs/dbraw/zinc/09/33/28/336093328.db2.gz CNOBYPMPMHDWBW-HOTGVXAUSA-N 1 2 322.428 2.869 20 30 DFEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329969145 336101032 /nfs/dbraw/zinc/10/10/32/336101032.db2.gz WKVNEIXUALMBSE-YHUYYLMFSA-N 1 2 316.449 2.918 20 30 DFEDLO CCN1CCOC[C@@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000330042609 336108716 /nfs/dbraw/zinc/10/87/16/336108716.db2.gz DTGHLWHWTGHXMS-OAHLLOKOSA-N 1 2 314.389 2.694 20 30 DFEDLO C[C@@H]1CCSCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330053869 336109603 /nfs/dbraw/zinc/10/96/03/336109603.db2.gz RBNIIJLJOQSGCQ-CHWSQXEVSA-N 1 2 308.451 2.502 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330161049 336119592 /nfs/dbraw/zinc/11/95/92/336119592.db2.gz SOGJJBRIGXMBTA-CPUCHLNUSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330161049 336119593 /nfs/dbraw/zinc/11/95/93/336119593.db2.gz SOGJJBRIGXMBTA-CPUCHLNUSA-N 1 2 310.438 2.544 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330167394 336120122 /nfs/dbraw/zinc/12/01/22/336120122.db2.gz YYIMRJRFYMKXKF-LHHMISFZSA-N 1 2 324.465 2.792 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330167394 336120123 /nfs/dbraw/zinc/12/01/23/336120123.db2.gz YYIMRJRFYMKXKF-LHHMISFZSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCSC[C@H](C)C1)CCC2 ZINC000330176377 336121126 /nfs/dbraw/zinc/12/11/26/336121126.db2.gz JWVDBOYWPCIPRI-OCCSQVGLSA-N 1 2 322.478 2.668 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330183074 336121566 /nfs/dbraw/zinc/12/15/66/336121566.db2.gz HQNAEGNLTVFJBD-OAHLLOKOSA-N 1 2 324.428 2.905 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331539689 336139701 /nfs/dbraw/zinc/13/97/01/336139701.db2.gz YHMOIHQQBVCZTG-ZNMIVQPWSA-N 1 2 318.421 2.628 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC1(CC#N)CC1)C2 ZINC000330315375 336152632 /nfs/dbraw/zinc/15/26/32/336152632.db2.gz YSGOBAKVVHBFKN-UHFFFAOYSA-N 1 2 315.421 2.509 20 30 DFEDLO Cc1sc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C#N)nc(=O)c2c1C ZINC000332288299 336166559 /nfs/dbraw/zinc/16/65/59/336166559.db2.gz ZERZLLPJXWNOEG-WDEREUQCSA-N 1 2 302.403 2.796 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2(C)CCCC2)CCO1 ZINC000330336371 336168157 /nfs/dbraw/zinc/16/81/57/336168157.db2.gz SIRAYTVXIMYBES-HIFRSBDPSA-N 1 2 320.437 2.724 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000352167610 336198655 /nfs/dbraw/zinc/19/86/55/336198655.db2.gz RNMWKEZENJAGLK-IRXDYDNUSA-N 1 2 322.412 2.997 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000352271102 336209218 /nfs/dbraw/zinc/20/92/18/336209218.db2.gz NMCBCZXLXFUCFK-HNNXBMFYSA-N 1 2 306.381 2.829 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000352448973 336219672 /nfs/dbraw/zinc/21/96/72/336219672.db2.gz KAYYCTKDAYLIGW-UHFFFAOYSA-N 1 2 315.392 2.510 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448234 336219742 /nfs/dbraw/zinc/21/97/42/336219742.db2.gz FWBXBDGZNIQETL-UONOGXRCSA-N 1 2 315.392 2.680 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000352458172 336220310 /nfs/dbraw/zinc/22/03/10/336220310.db2.gz ZUTMSVFOVDARBD-SFHVURJKSA-N 1 2 313.401 2.717 20 30 DFEDLO CC(C)N(C(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352458458 336220314 /nfs/dbraw/zinc/22/03/14/336220314.db2.gz KUDAKFXBATZNPP-UHFFFAOYSA-N 1 2 303.381 2.756 20 30 DFEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(F)cc1 ZINC000352462695 336220650 /nfs/dbraw/zinc/22/06/50/336220650.db2.gz GFJWUUYXEAVGSD-OLZOCXBDSA-N 1 2 321.371 2.719 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352464020 336220654 /nfs/dbraw/zinc/22/06/54/336220654.db2.gz NQCLCORDDZLEOW-ZDUSSCGKSA-N 1 2 321.371 2.500 20 30 DFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352481997 336221320 /nfs/dbraw/zinc/22/13/20/336221320.db2.gz GFBRHTCLAYSOMP-LSDHHAIUSA-N 1 2 317.408 2.888 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352483267 336221392 /nfs/dbraw/zinc/22/13/92/336221392.db2.gz HXSFHHHTXXHNRW-HUUCEWRRSA-N 1 2 317.408 2.622 20 30 DFEDLO Cc1ccc(-c2nnc(C[NH+]3CCC(F)(C#N)CC3)o2)cc1 ZINC000352484954 336221471 /nfs/dbraw/zinc/22/14/71/336221471.db2.gz VQLFVDKARAQKOP-UHFFFAOYSA-N 1 2 300.337 2.873 20 30 DFEDLO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352491938 336221834 /nfs/dbraw/zinc/22/18/34/336221834.db2.gz TWONAMKJPRSURZ-OAHLLOKOSA-N 1 2 317.408 2.808 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000352539855 336223374 /nfs/dbraw/zinc/22/33/74/336223374.db2.gz DITCHNWDMDVXCJ-LSDHHAIUSA-N 1 2 301.434 2.872 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(CO)o1 ZINC000352815987 336250197 /nfs/dbraw/zinc/25/01/97/336250197.db2.gz MWFYYDFYISKELJ-UHFFFAOYSA-N 1 2 314.385 2.789 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(CO)o1 ZINC000352815987 336250198 /nfs/dbraw/zinc/25/01/98/336250198.db2.gz MWFYYDFYISKELJ-UHFFFAOYSA-N 1 2 314.385 2.789 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CC(C)(C)C#N)C2 ZINC000352864378 336283283 /nfs/dbraw/zinc/28/32/83/336283283.db2.gz DJBRDSNPBICDNQ-LBPRGKRZSA-N 1 2 302.422 2.551 20 30 DFEDLO C#Cc1cccc(NC(=O)CNc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000301096816 336289800 /nfs/dbraw/zinc/28/98/00/336289800.db2.gz PGARKESNTDLKAM-UHFFFAOYSA-N 1 2 308.385 2.940 20 30 DFEDLO C#CC[NH+]1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000302120863 336349447 /nfs/dbraw/zinc/34/94/47/336349447.db2.gz XVZHKFLQIFOSKT-UHFFFAOYSA-N 1 2 321.211 2.692 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000353702478 336435677 /nfs/dbraw/zinc/43/56/77/336435677.db2.gz UBVSIVWMOPWKPP-UHFFFAOYSA-N 1 2 324.384 2.868 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NC1(C#N)CCC1 ZINC000354449679 336471080 /nfs/dbraw/zinc/47/10/80/336471080.db2.gz AVNUADPEWWVPNZ-UHFFFAOYSA-N 1 2 310.401 2.941 20 30 DFEDLO CC1(C)CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)[C@H]1C#N ZINC000357161470 336575456 /nfs/dbraw/zinc/57/54/56/336575456.db2.gz WZBADHABSLBUSC-ZDUSSCGKSA-N 1 2 313.392 2.504 20 30 DFEDLO CC#CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000357641669 336593073 /nfs/dbraw/zinc/59/30/73/336593073.db2.gz STWANYSAAWWJDL-UHFFFAOYSA-N 1 2 313.264 2.652 20 30 DFEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000359530986 336676301 /nfs/dbraw/zinc/67/63/01/336676301.db2.gz ZVKFJWGSPROOFX-UHFFFAOYSA-N 1 2 301.312 2.808 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000361105133 336738771 /nfs/dbraw/zinc/73/87/71/336738771.db2.gz AZSASFHGKDKJOA-IKGGRYGDSA-N 1 2 303.402 2.657 20 30 DFEDLO C#CC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000361779015 336772578 /nfs/dbraw/zinc/77/25/78/336772578.db2.gz FHZMYBHQCJEERT-DLBZAZTESA-N 1 2 322.412 2.684 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(CC#N)cc1)CCC2 ZINC000371143392 336895307 /nfs/dbraw/zinc/89/53/07/336895307.db2.gz BLCQPHVNPCICFE-MRXNPFEDSA-N 1 2 308.385 2.565 20 30 DFEDLO C#CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CCCC1 ZINC000375426423 337011103 /nfs/dbraw/zinc/01/11/03/337011103.db2.gz NQVWRAAXBURSFK-NVXWUHKLSA-N 1 2 311.429 2.558 20 30 DFEDLO C=C(Cl)CNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376165691 337028778 /nfs/dbraw/zinc/02/87/78/337028778.db2.gz IPLMTYOBWJJYFV-AWEZNQCLSA-N 1 2 315.804 2.981 20 30 DFEDLO C#CCC(C)(C)C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000376881423 337043130 /nfs/dbraw/zinc/04/31/30/337043130.db2.gz CFZYNGOAKHHYTB-UHFFFAOYSA-N 1 2 324.428 2.697 20 30 DFEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376920916 337043711 /nfs/dbraw/zinc/04/37/11/337043711.db2.gz BICQKOBEQICLJE-JKSUJKDBSA-N 1 2 322.412 2.921 20 30 DFEDLO CC(C)(C#N)CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000377311288 337050395 /nfs/dbraw/zinc/05/03/95/337050395.db2.gz PHYZTHJHOPPHMT-STQMWFEESA-N 1 2 323.437 2.717 20 30 DFEDLO CC(C)(C#N)CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000377311288 337050396 /nfs/dbraw/zinc/05/03/96/337050396.db2.gz PHYZTHJHOPPHMT-STQMWFEESA-N 1 2 323.437 2.717 20 30 DFEDLO Cc1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1Oc1cc[nH+]cc1 ZINC000175888654 337148758 /nfs/dbraw/zinc/14/87/58/337148758.db2.gz UHJZHZXFBUPMHW-HNNXBMFYSA-N 1 2 323.352 2.547 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)CC1CC1 ZINC000176253742 337149880 /nfs/dbraw/zinc/14/98/80/337149880.db2.gz MTWWOMMUYNJEPK-DLBZAZTESA-N 1 2 303.450 2.793 20 30 DFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)CC1CC1 ZINC000176253742 337149881 /nfs/dbraw/zinc/14/98/81/337149881.db2.gz MTWWOMMUYNJEPK-DLBZAZTESA-N 1 2 303.450 2.793 20 30 DFEDLO C#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178420315 337164650 /nfs/dbraw/zinc/16/46/50/337164650.db2.gz QBVIKODWAYWQRY-ROUUACIJSA-N 1 2 322.412 2.824 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000188213366 337272339 /nfs/dbraw/zinc/27/23/39/337272339.db2.gz ZTKMVXAETCGPMJ-IBGZPJMESA-N 1 2 316.445 2.942 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191122416 337294259 /nfs/dbraw/zinc/29/42/59/337294259.db2.gz PWLOXEUVDQUMID-UHFFFAOYSA-N 1 2 317.345 2.884 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191122416 337294260 /nfs/dbraw/zinc/29/42/60/337294260.db2.gz PWLOXEUVDQUMID-UHFFFAOYSA-N 1 2 317.345 2.884 20 30 DFEDLO C=CCNC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191243230 337295117 /nfs/dbraw/zinc/29/51/17/337295117.db2.gz HPKYVZMIUQBJKP-UHFFFAOYSA-N 1 2 300.324 2.743 20 30 DFEDLO C=CCNC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191243230 337295118 /nfs/dbraw/zinc/29/51/18/337295118.db2.gz HPKYVZMIUQBJKP-UHFFFAOYSA-N 1 2 300.324 2.743 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242215 337305310 /nfs/dbraw/zinc/30/53/10/337305310.db2.gz JPVMLXIIAXAQRL-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242215 337305311 /nfs/dbraw/zinc/30/53/11/337305311.db2.gz JPVMLXIIAXAQRL-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO Cc1cc(-c2csc(NC(N)=[NH2+])n2)c(C)n1Cc1ccco1 ZINC000192499404 337305450 /nfs/dbraw/zinc/30/54/50/337305450.db2.gz JWBFWAPTINUWHY-UHFFFAOYSA-N 1 2 315.402 2.775 20 30 DFEDLO N#Cc1c(C(F)F)cccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000584665712 337380711 /nfs/dbraw/zinc/38/07/11/337380711.db2.gz XPNWUWCMAMESQM-UHFFFAOYSA-N 1 2 317.343 2.541 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418716748 337391760 /nfs/dbraw/zinc/39/17/60/337391760.db2.gz CIGPGAGEYSERIA-HNNXBMFYSA-N 1 2 323.387 2.629 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000117892229 337393674 /nfs/dbraw/zinc/39/36/74/337393674.db2.gz RPHJCMFFBQSOPF-HNNXBMFYSA-N 1 2 301.390 2.710 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCCC#N ZINC000117892229 337393675 /nfs/dbraw/zinc/39/36/75/337393675.db2.gz RPHJCMFFBQSOPF-HNNXBMFYSA-N 1 2 301.390 2.710 20 30 DFEDLO N#CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000123778434 337401226 /nfs/dbraw/zinc/40/12/26/337401226.db2.gz RFXQJVKWCQTZDM-UHFFFAOYSA-N 1 2 311.288 2.932 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196862 337437383 /nfs/dbraw/zinc/43/73/83/337437383.db2.gz VLNINEUVFMHXSC-XHSDSOJGSA-N 1 2 308.385 2.740 20 30 DFEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C#N)CC1 ZINC000057876817 337458178 /nfs/dbraw/zinc/45/81/78/337458178.db2.gz VZZOCJINOBOGSS-GJZGRUSLSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H]1c2cccn2CCN1CC#CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000429723309 338088353 /nfs/dbraw/zinc/08/83/53/338088353.db2.gz JUQWDSOSXCQFFV-ROUUACIJSA-N 1 2 322.456 2.746 20 30 DFEDLO C[C@H]1c2cccn2CCN1CC#CC[N@H+]1CCn2cccc2[C@@H]1C ZINC000429723309 338088354 /nfs/dbraw/zinc/08/83/54/338088354.db2.gz JUQWDSOSXCQFFV-ROUUACIJSA-N 1 2 322.456 2.746 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000430143048 338098913 /nfs/dbraw/zinc/09/89/13/338098913.db2.gz DOLYRNLTBYWRLB-UHFFFAOYSA-N 1 2 323.458 2.508 20 30 DFEDLO CC[N@H+](CCCNC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000430180357 338099965 /nfs/dbraw/zinc/09/99/65/338099965.db2.gz SJLXUOWQLLIFKZ-UHFFFAOYSA-N 1 2 314.433 2.896 20 30 DFEDLO CC[N@@H+](CCCNC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000430180357 338099966 /nfs/dbraw/zinc/09/99/66/338099966.db2.gz SJLXUOWQLLIFKZ-UHFFFAOYSA-N 1 2 314.433 2.896 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(C)(C)C#N ZINC000433284465 338189284 /nfs/dbraw/zinc/18/92/84/338189284.db2.gz GCELWJLQIOQKAR-LBPRGKRZSA-N 1 2 305.447 2.503 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(C)(C)C#N ZINC000433284465 338189285 /nfs/dbraw/zinc/18/92/85/338189285.db2.gz GCELWJLQIOQKAR-LBPRGKRZSA-N 1 2 305.447 2.503 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccoc1 ZINC000434814374 338226147 /nfs/dbraw/zinc/22/61/47/338226147.db2.gz NWJDWNJKEJLIFD-UHFFFAOYSA-N 1 2 315.398 2.966 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccoc1 ZINC000434814374 338226148 /nfs/dbraw/zinc/22/61/48/338226148.db2.gz NWJDWNJKEJLIFD-UHFFFAOYSA-N 1 2 315.398 2.966 20 30 DFEDLO C=CCC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)C(=O)OCC ZINC000449655727 338644539 /nfs/dbraw/zinc/64/45/39/338644539.db2.gz HQYNCOQXCVEILU-INIZCTEOSA-N 1 2 317.433 2.538 20 30 DFEDLO C=CCC1(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000454553650 338866500 /nfs/dbraw/zinc/86/65/00/338866500.db2.gz VTGYXEYRELCVKQ-CVEARBPZSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000458985632 339010136 /nfs/dbraw/zinc/01/01/36/339010136.db2.gz IETDDNJOJBRVIU-UHFFFAOYSA-N 1 2 304.438 2.823 20 30 DFEDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000459468081 339030833 /nfs/dbraw/zinc/03/08/33/339030833.db2.gz QNEBMWYRVUBPNS-SGMGOOAPSA-N 1 2 316.361 2.512 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459470038 339031031 /nfs/dbraw/zinc/03/10/31/339031031.db2.gz SXWXYQZAJSJXRK-GXFFZTMASA-N 1 2 311.307 2.926 20 30 DFEDLO N#CCCCOc1cccc(C[NH+]2CC(OCC(F)F)C2)c1 ZINC000459597284 339037998 /nfs/dbraw/zinc/03/79/98/339037998.db2.gz UQIPGQJUIFJPCB-UHFFFAOYSA-N 1 2 310.344 2.835 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000483431464 339665449 /nfs/dbraw/zinc/66/54/49/339665449.db2.gz MPZFTLUKFQSJGV-UHFFFAOYSA-N 1 2 319.836 2.581 20 30 DFEDLO C#CCN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490865496 339842296 /nfs/dbraw/zinc/84/22/96/339842296.db2.gz CHCQCLTXVZDSFR-GOSISDBHSA-N 1 2 324.428 2.906 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000491495326 339864218 /nfs/dbraw/zinc/86/42/18/339864218.db2.gz IMBCYMXTCKRAJQ-HOTGVXAUSA-N 1 2 324.428 2.931 20 30 DFEDLO C#C[C@H](CCC)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491789530 339881886 /nfs/dbraw/zinc/88/18/86/339881886.db2.gz YWQVZIOFSDTLRH-QGZVFWFLSA-N 1 2 316.449 2.887 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000496245130 340001414 /nfs/dbraw/zinc/00/14/14/340001414.db2.gz JTPYJLRFCZZDFL-MRXNPFEDSA-N 1 2 301.390 2.538 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000496245130 340001415 /nfs/dbraw/zinc/00/14/15/340001415.db2.gz JTPYJLRFCZZDFL-MRXNPFEDSA-N 1 2 301.390 2.538 20 30 DFEDLO C=CCNC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511095518 340320574 /nfs/dbraw/zinc/32/05/74/340320574.db2.gz KSBJNUHCRBXUJN-UHFFFAOYSA-N 1 2 310.800 2.993 20 30 DFEDLO C=CCNC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511095518 340320575 /nfs/dbraw/zinc/32/05/75/340320575.db2.gz KSBJNUHCRBXUJN-UHFFFAOYSA-N 1 2 310.800 2.993 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000542882417 341025104 /nfs/dbraw/zinc/02/51/04/341025104.db2.gz BJLCTMYSAKZWHJ-UHFFFAOYSA-N 1 2 321.808 2.913 20 30 DFEDLO CCc1nc(NC(=O)C[NH+]2CCC(CC#N)CC2)sc1C ZINC000542883909 341025202 /nfs/dbraw/zinc/02/52/02/341025202.db2.gz YLMRINNQJHQPPL-UHFFFAOYSA-N 1 2 306.435 2.578 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000550140234 341310899 /nfs/dbraw/zinc/31/08/99/341310899.db2.gz FMLSUEUTPCTGIU-UHFFFAOYSA-N 1 2 300.446 2.598 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000550140234 341310900 /nfs/dbraw/zinc/31/09/00/341310900.db2.gz FMLSUEUTPCTGIU-UHFFFAOYSA-N 1 2 300.446 2.598 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245722570 341311857 /nfs/dbraw/zinc/31/18/57/341311857.db2.gz AYBUVKWDGSLUGR-BNQMIIOLSA-N 1 2 318.465 2.787 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245722570 341311858 /nfs/dbraw/zinc/31/18/58/341311858.db2.gz AYBUVKWDGSLUGR-BNQMIIOLSA-N 1 2 318.465 2.787 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000245745286 341312848 /nfs/dbraw/zinc/31/28/48/341312848.db2.gz FUEMYLAQAFOMJL-ZIAGYGMSSA-N 1 2 303.406 2.894 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000245745286 341312849 /nfs/dbraw/zinc/31/28/49/341312849.db2.gz FUEMYLAQAFOMJL-ZIAGYGMSSA-N 1 2 303.406 2.894 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](CC)C[C@H](C)C#N ZINC000245928323 341318655 /nfs/dbraw/zinc/31/86/55/341318655.db2.gz XWNPFNKGZCSHQA-OCCSQVGLSA-N 1 2 306.410 2.962 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)C[C@H](C)C#N ZINC000245928323 341318656 /nfs/dbraw/zinc/31/86/56/341318656.db2.gz XWNPFNKGZCSHQA-OCCSQVGLSA-N 1 2 306.410 2.962 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249604084 341399786 /nfs/dbraw/zinc/39/97/86/341399786.db2.gz ZDTVJUVYLCCLLA-UKRRQHHQSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249604084 341399787 /nfs/dbraw/zinc/39/97/87/341399787.db2.gz ZDTVJUVYLCCLLA-UKRRQHHQSA-N 1 2 320.458 2.606 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000565036680 341515584 /nfs/dbraw/zinc/51/55/84/341515584.db2.gz WFLGQFFVEHZUFT-RDJZCZTQSA-N 1 2 308.385 2.607 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1Cl ZINC000578001689 341967223 /nfs/dbraw/zinc/96/72/23/341967223.db2.gz GSCHYUBEZKNDII-CYBMUJFWSA-N 1 2 300.189 2.567 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1Cl ZINC000368591402 500579340 /nfs/dbraw/zinc/57/93/40/500579340.db2.gz HJRWTXNVGYIOJD-GFCCVEGCSA-N 1 2 308.809 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1Cl ZINC000368591402 500579343 /nfs/dbraw/zinc/57/93/43/500579343.db2.gz HJRWTXNVGYIOJD-GFCCVEGCSA-N 1 2 308.809 2.615 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000245934053 500686503 /nfs/dbraw/zinc/68/65/03/500686503.db2.gz ZCOPNQSSPSKZBU-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000245934053 500686505 /nfs/dbraw/zinc/68/65/05/500686505.db2.gz ZCOPNQSSPSKZBU-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000186664911 526553117 /nfs/dbraw/zinc/55/31/17/526553117.db2.gz DLLFELHXSRJRBP-UHFFFAOYSA-N 1 2 317.820 2.702 20 30 DFEDLO Cn1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(F)cc2)n1 ZINC000365129470 527371309 /nfs/dbraw/zinc/37/13/09/527371309.db2.gz AABPBNGFTNCRNA-GOSISDBHSA-N 1 2 323.375 2.649 20 30 DFEDLO CC[N@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000361619151 535395760 /nfs/dbraw/zinc/39/57/60/535395760.db2.gz FMQXNTSGCFZRCS-ZDUSSCGKSA-N 1 2 312.421 2.883 20 30 DFEDLO CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000361619151 535395761 /nfs/dbraw/zinc/39/57/61/535395761.db2.gz FMQXNTSGCFZRCS-ZDUSSCGKSA-N 1 2 312.421 2.883 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000681537150 545668554 /nfs/dbraw/zinc/66/85/54/545668554.db2.gz IQEURTHZNUTWHK-AWEZNQCLSA-N 1 2 313.401 2.673 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000681537150 545668558 /nfs/dbraw/zinc/66/85/58/545668558.db2.gz IQEURTHZNUTWHK-AWEZNQCLSA-N 1 2 313.401 2.673 20 30 DFEDLO Cc1nc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278520472 214207652 /nfs/dbraw/zinc/20/76/52/214207652.db2.gz CKPCKSJQVPZZHI-CYBMUJFWSA-N 1 2 311.389 2.523 20 30 DFEDLO Cc1nc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278520472 214207653 /nfs/dbraw/zinc/20/76/53/214207653.db2.gz CKPCKSJQVPZZHI-CYBMUJFWSA-N 1 2 311.389 2.523 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000312710984 231122061 /nfs/dbraw/zinc/12/20/61/231122061.db2.gz DDPVACYTYULXFJ-GFCCVEGCSA-N 1 2 304.699 2.711 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000312710984 231122064 /nfs/dbraw/zinc/12/20/64/231122064.db2.gz DDPVACYTYULXFJ-GFCCVEGCSA-N 1 2 304.699 2.711 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000311005616 231116210 /nfs/dbraw/zinc/11/62/10/231116210.db2.gz KTNROJJBFOOBLA-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000311005616 231116213 /nfs/dbraw/zinc/11/62/13/231116213.db2.gz KTNROJJBFOOBLA-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(Cl)cc1 ZINC000491438594 398351121 /nfs/dbraw/zinc/35/11/21/398351121.db2.gz DQOZAPQSXATNCS-OAHLLOKOSA-N 1 2 300.793 2.660 20 30 DFEDLO Cc1ccc(C(N)=[NH+]OCc2ccc3c(c2)OCCO3)cc1F ZINC000065947884 398351838 /nfs/dbraw/zinc/35/18/38/398351838.db2.gz ZMJXOIWJHKPHPZ-UHFFFAOYSA-N 1 2 316.332 2.742 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000130871128 334934066 /nfs/dbraw/zinc/93/40/66/334934066.db2.gz IOPYPJVRWQYQJM-DYVFJYSZSA-N 1 2 314.385 2.658 20 30 DFEDLO CC(C)[C@@H]1N(c2[nH+]cnc3c2cnn3CCC#N)CC12CC=CC2 ZINC000591993691 398369926 /nfs/dbraw/zinc/36/99/26/398369926.db2.gz MILLWSXPABKZFY-HNNXBMFYSA-N 1 2 322.416 2.921 20 30 DFEDLO Cc1ccc2sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2c1 ZINC000578196340 398370684 /nfs/dbraw/zinc/37/06/84/398370684.db2.gz DKEIBXVZIDUEDQ-MRXNPFEDSA-N 1 2 301.415 2.783 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000578775670 398375853 /nfs/dbraw/zinc/37/58/53/398375853.db2.gz GJRGQBFITZNBII-NSHGMRRFSA-N 1 2 321.424 2.903 20 30 DFEDLO CCN1C[C@@H](C[N@H+](C)Cc2ccncc2C#N)Oc2ccccc21 ZINC000592059174 398378179 /nfs/dbraw/zinc/37/81/79/398378179.db2.gz PSLSIIZNCNBOCG-QGZVFWFLSA-N 1 2 322.412 2.673 20 30 DFEDLO CCN1C[C@@H](C[N@@H+](C)Cc2ccncc2C#N)Oc2ccccc21 ZINC000592059174 398378180 /nfs/dbraw/zinc/37/81/80/398378180.db2.gz PSLSIIZNCNBOCG-QGZVFWFLSA-N 1 2 322.412 2.673 20 30 DFEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccncc1C#N ZINC000592067025 398378276 /nfs/dbraw/zinc/37/82/76/398378276.db2.gz MXXFVDZDQHKJST-UHFFFAOYSA-N 1 2 322.412 2.677 20 30 DFEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccncc1C#N ZINC000592067025 398378281 /nfs/dbraw/zinc/37/82/81/398378281.db2.gz MXXFVDZDQHKJST-UHFFFAOYSA-N 1 2 322.412 2.677 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCCC[C@H]3C#N)cn21 ZINC000596291483 398378515 /nfs/dbraw/zinc/37/85/15/398378515.db2.gz YEQAVNZYVQSLRO-DZGCQCFKSA-N 1 2 311.389 2.524 20 30 DFEDLO N#CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130712 398389592 /nfs/dbraw/zinc/38/95/92/398389592.db2.gz JUCRDIUGAHYRJD-SHTZXODSSA-N 1 2 303.362 2.614 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130712 398389595 /nfs/dbraw/zinc/38/95/95/398389595.db2.gz JUCRDIUGAHYRJD-SHTZXODSSA-N 1 2 303.362 2.614 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000014914309 398391839 /nfs/dbraw/zinc/39/18/39/398391839.db2.gz KEMIDFRNYBPBJC-UTUOFQBUSA-N 1 2 321.808 2.648 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869444 398403500 /nfs/dbraw/zinc/40/35/00/398403500.db2.gz GLPDZIXBHVGYSP-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000584730816 398404608 /nfs/dbraw/zinc/40/46/08/398404608.db2.gz QQLIHJFEYKVDPI-GJZGRUSLSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000584730816 398404609 /nfs/dbraw/zinc/40/46/09/398404609.db2.gz QQLIHJFEYKVDPI-GJZGRUSLSA-N 1 2 304.438 2.842 20 30 DFEDLO N#Cc1ccc(NC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000596439858 398412940 /nfs/dbraw/zinc/41/29/40/398412940.db2.gz HWTBMXHZDXYFDG-UHFFFAOYSA-N 1 2 322.359 2.657 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000067523501 398441455 /nfs/dbraw/zinc/44/14/55/398441455.db2.gz WLDJTAXMKURVJN-UHFFFAOYSA-N 1 2 312.348 2.712 20 30 DFEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C#N)CC1 ZINC000057877573 334953491 /nfs/dbraw/zinc/95/34/91/334953491.db2.gz IQTQCWCHSICBGX-CYBMUJFWSA-N 1 2 308.385 2.797 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000286737934 219137018 /nfs/dbraw/zinc/13/70/18/219137018.db2.gz FLBLKWCJKWMKLY-NSHDSACASA-N 1 2 309.207 2.525 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000286737934 219137021 /nfs/dbraw/zinc/13/70/21/219137021.db2.gz FLBLKWCJKWMKLY-NSHDSACASA-N 1 2 309.207 2.525 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000026328634 398452623 /nfs/dbraw/zinc/45/26/23/398452623.db2.gz DQRCQPUXRNZOIH-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000026328634 398452624 /nfs/dbraw/zinc/45/26/24/398452624.db2.gz DQRCQPUXRNZOIH-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@H+](Cc1ccccc1F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746117 398475896 /nfs/dbraw/zinc/47/58/96/398475896.db2.gz IIYRDKPSQSGQNW-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746117 398475901 /nfs/dbraw/zinc/47/59/01/398475901.db2.gz IIYRDKPSQSGQNW-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596748260 398492113 /nfs/dbraw/zinc/49/21/13/398492113.db2.gz OMFVEGPTJAIUPR-INIZCTEOSA-N 1 2 322.412 2.825 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596748260 398492118 /nfs/dbraw/zinc/49/21/18/398492118.db2.gz OMFVEGPTJAIUPR-INIZCTEOSA-N 1 2 322.412 2.825 20 30 DFEDLO C#CC[N@@H+](Cc1nc(=O)c2sccc2[nH]1)C1CCCCC1 ZINC000068334513 398495830 /nfs/dbraw/zinc/49/58/30/398495830.db2.gz VXCYZCNYRSZCIP-UHFFFAOYSA-N 1 2 301.415 2.753 20 30 DFEDLO C#CC[N@H+](Cc1nc(=O)c2sccc2[nH]1)C1CCCCC1 ZINC000068334513 398495832 /nfs/dbraw/zinc/49/58/32/398495832.db2.gz VXCYZCNYRSZCIP-UHFFFAOYSA-N 1 2 301.415 2.753 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000596766497 398497316 /nfs/dbraw/zinc/49/73/16/398497316.db2.gz AZUDJGDXIMYCCX-MELADBBJSA-N 1 2 301.394 2.729 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000596800182 398504659 /nfs/dbraw/zinc/50/46/59/398504659.db2.gz GMAPCQGTRPQQJI-UHFFFAOYSA-N 1 2 313.361 2.732 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000596800182 398504662 /nfs/dbraw/zinc/50/46/62/398504662.db2.gz GMAPCQGTRPQQJI-UHFFFAOYSA-N 1 2 313.361 2.732 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190996304 334964866 /nfs/dbraw/zinc/96/48/66/334964866.db2.gz HHWIFCIABQYLMT-UHFFFAOYSA-N 1 2 300.406 2.888 20 30 DFEDLO C=CCOc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000032690553 398535985 /nfs/dbraw/zinc/53/59/85/398535985.db2.gz QCXNVGBHYLXNBZ-UHFFFAOYSA-N 1 2 311.385 2.642 20 30 DFEDLO N#CC1(c2ccc(C[NH+]3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000596983101 398540234 /nfs/dbraw/zinc/54/02/34/398540234.db2.gz OENMCVSBPNOFRL-UHFFFAOYSA-N 1 2 323.362 2.922 20 30 DFEDLO CCOC(=O)c1c(C)onc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000589258931 398542005 /nfs/dbraw/zinc/54/20/05/398542005.db2.gz BXIPTPATGAVCEC-LLVKDONJSA-N 1 2 313.357 2.882 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000597009515 398546071 /nfs/dbraw/zinc/54/60/71/398546071.db2.gz SQHZVPUTDNXITA-CQSZACIVSA-N 1 2 316.311 2.927 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1ccc(C#N)c(F)c1)C2 ZINC000589344559 398547480 /nfs/dbraw/zinc/54/74/80/398547480.db2.gz YBOAFPNLAGQCLC-UHFFFAOYSA-N 1 2 313.336 2.558 20 30 DFEDLO Cc1cccn2cc(Cc3noc(-c4cccc(C#N)n4)n3)[nH+]c12 ZINC000589367069 398549031 /nfs/dbraw/zinc/54/90/31/398549031.db2.gz RNAWUUQACONJQK-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118918 398550706 /nfs/dbraw/zinc/55/07/06/398550706.db2.gz TXXZESVNWPHPJF-DZGCQCFKSA-N 1 2 306.312 2.503 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118918 398550709 /nfs/dbraw/zinc/55/07/09/398550709.db2.gz TXXZESVNWPHPJF-DZGCQCFKSA-N 1 2 306.312 2.503 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000593123358 398552406 /nfs/dbraw/zinc/55/24/06/398552406.db2.gz VRUCRLZNYMKPPK-UHFFFAOYSA-N 1 2 317.392 2.853 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000593123358 398552407 /nfs/dbraw/zinc/55/24/07/398552407.db2.gz VRUCRLZNYMKPPK-UHFFFAOYSA-N 1 2 317.392 2.853 20 30 DFEDLO Cc1nnc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)n1C ZINC000069169330 398555078 /nfs/dbraw/zinc/55/50/78/398555078.db2.gz ZGADETFPMVWYNU-GOSISDBHSA-N 1 2 317.396 2.874 20 30 DFEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)n1C ZINC000069169295 398555273 /nfs/dbraw/zinc/55/52/73/398555273.db2.gz FJNSMKCIQVHLQA-SFHVURJKSA-N 1 2 317.396 2.874 20 30 DFEDLO COC(=O)CC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000589496489 398557045 /nfs/dbraw/zinc/55/70/45/398557045.db2.gz YIOAFWUWFMUBSZ-UHFFFAOYSA-N 1 2 315.398 2.580 20 30 DFEDLO COC(=O)CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000589496489 398557051 /nfs/dbraw/zinc/55/70/51/398557051.db2.gz YIOAFWUWFMUBSZ-UHFFFAOYSA-N 1 2 315.398 2.580 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000589571023 398560582 /nfs/dbraw/zinc/56/05/82/398560582.db2.gz WQXQYLOCMJGBBV-AWEZNQCLSA-N 1 2 311.345 2.932 20 30 DFEDLO CC1(C2CC2)CCN(c2[nH+]cnc3c2cnn3CCC#N)CC1 ZINC000589605379 398563294 /nfs/dbraw/zinc/56/32/94/398563294.db2.gz AHAPPRCUTJHSPJ-UHFFFAOYSA-N 1 2 310.405 2.756 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000280564900 334968188 /nfs/dbraw/zinc/96/81/88/334968188.db2.gz GCKMQFIDETWXOT-KSZLIROESA-N 1 2 317.429 2.650 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000597117567 398570328 /nfs/dbraw/zinc/57/03/28/398570328.db2.gz VYMSGMVULORXTB-AWEZNQCLSA-N 1 2 300.406 2.980 20 30 DFEDLO COc1cc(OC)c(CNc2cc(CC#N)cc[nH+]2)cc1F ZINC000593220559 398573390 /nfs/dbraw/zinc/57/33/90/398573390.db2.gz PUWMFRUNGLZHBO-UHFFFAOYSA-N 1 2 301.321 2.916 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597132492 398573546 /nfs/dbraw/zinc/57/35/46/398573546.db2.gz IHUAZGLFDVMNND-UONOGXRCSA-N 1 2 303.381 2.581 20 30 DFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000597165847 398580925 /nfs/dbraw/zinc/58/09/25/398580925.db2.gz MVNQHBQJUCSKQD-ABAIWWIYSA-N 1 2 314.776 2.549 20 30 DFEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000597165847 398580926 /nfs/dbraw/zinc/58/09/26/398580926.db2.gz MVNQHBQJUCSKQD-ABAIWWIYSA-N 1 2 314.776 2.549 20 30 DFEDLO COc1cc(OC)c(C[NH2+][C@@H]2CCCC[C@H]2C#N)c(OC)c1 ZINC000597195770 398587667 /nfs/dbraw/zinc/58/76/67/398587667.db2.gz AERDNAHCGFVSLI-SWLSCSKDSA-N 1 2 304.390 2.884 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000597206103 398590371 /nfs/dbraw/zinc/59/03/71/398590371.db2.gz LNPJWTVKSYHTTJ-QWHCGFSZSA-N 1 2 321.371 2.595 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000597206103 398590375 /nfs/dbraw/zinc/59/03/75/398590375.db2.gz LNPJWTVKSYHTTJ-QWHCGFSZSA-N 1 2 321.371 2.595 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597293405 398615617 /nfs/dbraw/zinc/61/56/17/398615617.db2.gz LYNOBEHPDXQUEF-CYBMUJFWSA-N 1 2 323.400 2.847 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597293405 398615621 /nfs/dbraw/zinc/61/56/21/398615621.db2.gz LYNOBEHPDXQUEF-CYBMUJFWSA-N 1 2 323.400 2.847 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597293417 398616075 /nfs/dbraw/zinc/61/60/75/398616075.db2.gz LYNOBEHPDXQUEF-ZDUSSCGKSA-N 1 2 323.400 2.847 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597293417 398616078 /nfs/dbraw/zinc/61/60/78/398616078.db2.gz LYNOBEHPDXQUEF-ZDUSSCGKSA-N 1 2 323.400 2.847 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc([C@]2(C#N)C[C@@H]2C)n1 ZINC000351093261 398617435 /nfs/dbraw/zinc/61/74/35/398617435.db2.gz QNSVZHGIYFXIEV-GTNSWQLSSA-N 1 2 307.357 2.772 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000093100031 398619295 /nfs/dbraw/zinc/61/92/95/398619295.db2.gz VUTKDFDTYPAVLY-UHFFFAOYSA-N 1 2 312.797 2.719 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000093100031 398619298 /nfs/dbraw/zinc/61/92/98/398619298.db2.gz VUTKDFDTYPAVLY-UHFFFAOYSA-N 1 2 312.797 2.719 20 30 DFEDLO Cc1cc(CNC(=O)N2Cc3cccc(C#N)c3C2)cc(C)[nH+]1 ZINC000593415228 398622581 /nfs/dbraw/zinc/62/25/81/398622581.db2.gz GPLDJARAPXVABP-UHFFFAOYSA-N 1 2 306.369 2.796 20 30 DFEDLO CC(C)(C)[C@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597351057 398626614 /nfs/dbraw/zinc/62/66/14/398626614.db2.gz OMJKSWJXHHEWNK-CABCVRRESA-N 1 2 310.401 2.986 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043627770 398626287 /nfs/dbraw/zinc/62/62/87/398626287.db2.gz LETLJTCAOMSIKP-PXAZEXFGSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043627770 398626292 /nfs/dbraw/zinc/62/62/92/398626292.db2.gz LETLJTCAOMSIKP-PXAZEXFGSA-N 1 2 323.387 2.840 20 30 DFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072689800 398630944 /nfs/dbraw/zinc/63/09/44/398630944.db2.gz ZBFDDTBQLHXQFU-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072689800 398630948 /nfs/dbraw/zinc/63/09/48/398630948.db2.gz ZBFDDTBQLHXQFU-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152674912 186096358 /nfs/dbraw/zinc/09/63/58/186096358.db2.gz COKGTIJVRCPIAL-OAHLLOKOSA-N 1 2 323.396 2.655 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000597415962 398637300 /nfs/dbraw/zinc/63/73/00/398637300.db2.gz RZENELFYRPZZEC-LBPRGKRZSA-N 1 2 324.384 2.812 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000597415962 398637302 /nfs/dbraw/zinc/63/73/02/398637302.db2.gz RZENELFYRPZZEC-LBPRGKRZSA-N 1 2 324.384 2.812 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000597420519 398638235 /nfs/dbraw/zinc/63/82/35/398638235.db2.gz FQKCLOKYUAJDEQ-LSDHHAIUSA-N 1 2 308.385 2.676 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000597420519 398638239 /nfs/dbraw/zinc/63/82/39/398638239.db2.gz FQKCLOKYUAJDEQ-LSDHHAIUSA-N 1 2 308.385 2.676 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000353638540 398639036 /nfs/dbraw/zinc/63/90/36/398639036.db2.gz SCXZZLQNZQZFPY-OAHLLOKOSA-N 1 2 323.458 2.508 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000353638540 398639039 /nfs/dbraw/zinc/63/90/39/398639039.db2.gz SCXZZLQNZQZFPY-OAHLLOKOSA-N 1 2 323.458 2.508 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccsc2)c(C#N)c1C ZINC000590613710 398639768 /nfs/dbraw/zinc/63/97/68/398639768.db2.gz DEMYXFDPVYYUPP-UHFFFAOYSA-N 1 2 303.387 2.900 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccsc2)c(C#N)c1C ZINC000590613710 398639772 /nfs/dbraw/zinc/63/97/72/398639772.db2.gz DEMYXFDPVYYUPP-UHFFFAOYSA-N 1 2 303.387 2.900 20 30 DFEDLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000593498083 398646801 /nfs/dbraw/zinc/64/68/01/398646801.db2.gz TVTQFGGKZDUEQC-CYBMUJFWSA-N 1 2 308.385 2.511 20 30 DFEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCCNC1=O ZINC000365879239 398649343 /nfs/dbraw/zinc/64/93/43/398649343.db2.gz GEAJFIYIEZTOAU-HNNXBMFYSA-N 1 2 324.346 2.657 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCCNC1=O ZINC000365879239 398649348 /nfs/dbraw/zinc/64/93/48/398649348.db2.gz GEAJFIYIEZTOAU-HNNXBMFYSA-N 1 2 324.346 2.657 20 30 DFEDLO N#Cc1ccnc(NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000590685747 398651418 /nfs/dbraw/zinc/65/14/18/398651418.db2.gz GQBFSDNJUBQAKT-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952790 398651010 /nfs/dbraw/zinc/65/10/10/398651010.db2.gz QEEBWYOOTUFJKJ-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952790 398651012 /nfs/dbraw/zinc/65/10/12/398651012.db2.gz QEEBWYOOTUFJKJ-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO CC(C)[C@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]1C(C)C ZINC000590723364 398659089 /nfs/dbraw/zinc/65/90/89/398659089.db2.gz RHLUBDUJBAGDJK-CABCVRRESA-N 1 2 312.421 2.857 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000045032182 398660608 /nfs/dbraw/zinc/66/06/08/398660608.db2.gz ZOJBAZFUSORGIJ-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO COc1cccc2c1C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000590759848 398667769 /nfs/dbraw/zinc/66/77/69/398667769.db2.gz SSSDPAAIAQDDKU-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1cccc2c1C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000590759848 398667771 /nfs/dbraw/zinc/66/77/71/398667771.db2.gz SSSDPAAIAQDDKU-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757288 398667806 /nfs/dbraw/zinc/66/78/06/398667806.db2.gz KGESLCRGVRJBJW-DZGCQCFKSA-N 1 2 304.346 2.502 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757288 398667808 /nfs/dbraw/zinc/66/78/08/398667808.db2.gz KGESLCRGVRJBJW-DZGCQCFKSA-N 1 2 304.346 2.502 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)c(C#N)c1C ZINC000590758688 398667955 /nfs/dbraw/zinc/66/79/55/398667955.db2.gz LCIYXSWYNNLPHB-CQSZACIVSA-N 1 2 319.430 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)c(C#N)c1C ZINC000590758688 398667958 /nfs/dbraw/zinc/66/79/58/398667958.db2.gz LCIYXSWYNNLPHB-CQSZACIVSA-N 1 2 319.430 2.534 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219777 198197301 /nfs/dbraw/zinc/19/73/01/198197301.db2.gz JKNLLESLEIXGGP-RKDXNWHRSA-N 1 2 321.368 2.893 20 30 DFEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000073511143 398684786 /nfs/dbraw/zinc/68/47/86/398684786.db2.gz FNVQYGUFBWHJBZ-GFCCVEGCSA-N 1 2 309.156 2.571 20 30 DFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1F ZINC000073513680 398684842 /nfs/dbraw/zinc/68/48/42/398684842.db2.gz JOUCJIVAZHEQET-GFCCVEGCSA-N 1 2 324.359 2.888 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597796048 398697327 /nfs/dbraw/zinc/69/73/27/398697327.db2.gz IFXBAAJANXHXKU-WFASDCNBSA-N 1 2 308.385 2.606 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597796048 398697330 /nfs/dbraw/zinc/69/73/30/398697330.db2.gz IFXBAAJANXHXKU-WFASDCNBSA-N 1 2 308.385 2.606 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C2 ZINC000597796423 398697134 /nfs/dbraw/zinc/69/71/34/398697134.db2.gz MSWZDDPIUQMITP-MLGOLLRUSA-N 1 2 322.412 2.914 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000597796423 398697137 /nfs/dbraw/zinc/69/71/37/398697137.db2.gz MSWZDDPIUQMITP-MLGOLLRUSA-N 1 2 322.412 2.914 20 30 DFEDLO N#CCCCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000593966735 398709558 /nfs/dbraw/zinc/70/95/58/398709558.db2.gz DNPXUDPLMTXRSD-UHFFFAOYSA-N 1 2 312.373 2.985 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593974800 398712619 /nfs/dbraw/zinc/71/26/19/398712619.db2.gz YXAVKGXIOLHSFF-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593974800 398712620 /nfs/dbraw/zinc/71/26/20/398712620.db2.gz YXAVKGXIOLHSFF-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000594015237 398722099 /nfs/dbraw/zinc/72/20/99/398722099.db2.gz YTINMUVKDVYIDQ-LJQANCHMSA-N 1 2 319.408 2.779 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC000594015237 398722103 /nfs/dbraw/zinc/72/21/03/398722103.db2.gz YTINMUVKDVYIDQ-LJQANCHMSA-N 1 2 319.408 2.779 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)CC3(C#N)CC3)ccc2n1C1CC1 ZINC000591080533 398724163 /nfs/dbraw/zinc/72/41/63/398724163.db2.gz RJTGVUWYFLYKIQ-UHFFFAOYSA-N 1 2 308.385 2.990 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597944460 398724997 /nfs/dbraw/zinc/72/49/97/398724997.db2.gz ULDVMGGUUOWMSA-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO COC(=O)c1coc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594036116 398727191 /nfs/dbraw/zinc/72/71/91/398727191.db2.gz WIXBISWQEKSOGR-UHFFFAOYSA-N 1 2 311.341 2.502 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047029146 398733218 /nfs/dbraw/zinc/73/32/18/398733218.db2.gz WDQDUANRMNITQP-ZDUSSCGKSA-N 1 2 304.419 2.731 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000047259514 398741864 /nfs/dbraw/zinc/74/18/64/398741864.db2.gz SKKYWOGECMFUJQ-NSHDSACASA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000047259514 398741867 /nfs/dbraw/zinc/74/18/67/398741867.db2.gz SKKYWOGECMFUJQ-NSHDSACASA-N 1 2 314.414 2.782 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C(=O)OC ZINC000591260449 398743068 /nfs/dbraw/zinc/74/30/68/398743068.db2.gz AQKJLVQBTJWRKP-XJKSGUPXSA-N 1 2 323.820 2.531 20 30 DFEDLO Cc1csc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000594103429 398744368 /nfs/dbraw/zinc/74/43/68/398744368.db2.gz QPWMUAOFPIPXLQ-LBPRGKRZSA-N 1 2 315.402 2.935 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000598075108 398748426 /nfs/dbraw/zinc/74/84/26/398748426.db2.gz MWLUGZRZQCNMSD-IRXDYDNUSA-N 1 2 308.385 2.744 20 30 DFEDLO C=C[C@H]([NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12)C(=O)OC ZINC000591377748 398754450 /nfs/dbraw/zinc/75/44/50/398754450.db2.gz FEKWIAAJOVRKIM-ABAIWWIYSA-N 1 2 304.365 2.566 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000594291398 398779799 /nfs/dbraw/zinc/77/97/99/398779799.db2.gz XYQUUPVBIKNCDD-OAHLLOKOSA-N 1 2 310.401 2.530 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000594301435 398781221 /nfs/dbraw/zinc/78/12/21/398781221.db2.gz NOJAALNMWHMMNM-HNNXBMFYSA-N 1 2 322.412 2.750 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000594298449 398780497 /nfs/dbraw/zinc/78/04/97/398780497.db2.gz OODWRDSCCCREGI-ZDUSSCGKSA-N 1 2 300.406 2.659 20 30 DFEDLO CCOc1ccc([C@@H](COC)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000591766494 398786273 /nfs/dbraw/zinc/78/62/73/398786273.db2.gz SVZUVLNWHXXIRS-RHSMWYFYSA-N 1 2 301.390 2.806 20 30 DFEDLO Cc1cc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)c(C#N)c[nH+]1 ZINC000591818142 398791178 /nfs/dbraw/zinc/79/11/78/398791178.db2.gz ZBFIMURYBQEEKX-UHFFFAOYSA-N 1 2 320.396 2.790 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC2)cc1 ZINC000594403950 398793896 /nfs/dbraw/zinc/79/38/96/398793896.db2.gz QRWIPATYCUGKQN-OAHLLOKOSA-N 1 2 320.396 2.513 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000356353866 283247943 /nfs/dbraw/zinc/24/79/43/283247943.db2.gz CDKZTILHGJFYMC-QGZVFWFLSA-N 1 2 311.410 2.984 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)n1 ZINC000356353866 283247948 /nfs/dbraw/zinc/24/79/48/283247948.db2.gz CDKZTILHGJFYMC-QGZVFWFLSA-N 1 2 311.410 2.984 20 30 DFEDLO C[C@@]1(C#N)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598416514 398809309 /nfs/dbraw/zinc/80/93/09/398809309.db2.gz BRBSMWKVYQUMES-YJBOKZPZSA-N 1 2 308.385 2.694 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594510327 398812987 /nfs/dbraw/zinc/81/29/87/398812987.db2.gz IUCLMMGDFAKLFE-CVEARBPZSA-N 1 2 323.400 2.695 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCS1 ZINC000075715342 398819281 /nfs/dbraw/zinc/81/92/81/398819281.db2.gz VEINBTFUNFVRKG-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCS1 ZINC000075715342 398819283 /nfs/dbraw/zinc/81/92/83/398819283.db2.gz VEINBTFUNFVRKG-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592273 398825550 /nfs/dbraw/zinc/82/55/50/398825550.db2.gz PAQSBQRNPQLCEE-SDDRHHMPSA-N 1 2 309.360 2.746 20 30 DFEDLO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592273 398825553 /nfs/dbraw/zinc/82/55/53/398825553.db2.gz PAQSBQRNPQLCEE-SDDRHHMPSA-N 1 2 309.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052073849 398831277 /nfs/dbraw/zinc/83/12/77/398831277.db2.gz UPTAMQWUIXJNBL-SJCJKPOMSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052073849 398831280 /nfs/dbraw/zinc/83/12/80/398831280.db2.gz UPTAMQWUIXJNBL-SJCJKPOMSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073966 398831472 /nfs/dbraw/zinc/83/14/72/398831472.db2.gz ABEWSVMBBRIINR-SUMWQHHRSA-N 1 2 305.397 2.873 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073966 398831474 /nfs/dbraw/zinc/83/14/74/398831474.db2.gz ABEWSVMBBRIINR-SUMWQHHRSA-N 1 2 305.397 2.873 20 30 DFEDLO Cc1ncc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000052101211 398832473 /nfs/dbraw/zinc/83/24/73/398832473.db2.gz VSMCIHBVDKJOIZ-UHFFFAOYSA-N 1 2 320.462 2.568 20 30 DFEDLO Cc1ncc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000052101211 398832475 /nfs/dbraw/zinc/83/24/75/398832475.db2.gz VSMCIHBVDKJOIZ-UHFFFAOYSA-N 1 2 320.462 2.568 20 30 DFEDLO CC[C@@H](C)Oc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OC ZINC000129924572 398840183 /nfs/dbraw/zinc/84/01/83/398840183.db2.gz HEJCEBQQIJQTQQ-OAHLLOKOSA-N 1 2 317.433 2.514 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000598609274 398840732 /nfs/dbraw/zinc/84/07/32/398840732.db2.gz ZYEGZZRRUNOMDA-BBRMVZONSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000598609274 398840733 /nfs/dbraw/zinc/84/07/33/398840733.db2.gz ZYEGZZRRUNOMDA-BBRMVZONSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000598606443 398840811 /nfs/dbraw/zinc/84/08/11/398840811.db2.gz GKPJJFXKFAUROZ-NEPJUHHUSA-N 1 2 311.476 2.534 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000598606443 398840812 /nfs/dbraw/zinc/84/08/12/398840812.db2.gz GKPJJFXKFAUROZ-NEPJUHHUSA-N 1 2 311.476 2.534 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(Br)cn1 ZINC000598615796 398841532 /nfs/dbraw/zinc/84/15/32/398841532.db2.gz FWOUZSBIFWLXIZ-JOYOIKCWSA-N 1 2 310.195 2.635 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cccc(C#N)c1 ZINC000594710590 398846897 /nfs/dbraw/zinc/84/68/97/398846897.db2.gz JGJIPYQOHQRUHE-GHMZBOCLSA-N 1 2 300.387 2.693 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649208 398847364 /nfs/dbraw/zinc/84/73/64/398847364.db2.gz KQYFRBDNROFJEV-HOCLYGCPSA-N 1 2 315.408 2.844 20 30 DFEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1)C1CC1 ZINC000598649175 398847826 /nfs/dbraw/zinc/84/78/26/398847826.db2.gz JGCYQJAOCHSARW-GDBMZVCRSA-N 1 2 313.392 2.598 20 30 DFEDLO C[C@@H](CC#N)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000594733762 398851285 /nfs/dbraw/zinc/85/12/85/398851285.db2.gz DYVWQNRPWWCSSD-DZGCQCFKSA-N 1 2 312.373 2.660 20 30 DFEDLO C[C@@H](CC#N)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000594733762 398851289 /nfs/dbraw/zinc/85/12/89/398851289.db2.gz DYVWQNRPWWCSSD-DZGCQCFKSA-N 1 2 312.373 2.660 20 30 DFEDLO CCCc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000598670830 398851829 /nfs/dbraw/zinc/85/18/29/398851829.db2.gz HCHFLXCHVCMEKL-UHFFFAOYSA-N 1 2 321.490 2.748 20 30 DFEDLO CCCc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)s1 ZINC000598670830 398851833 /nfs/dbraw/zinc/85/18/33/398851833.db2.gz HCHFLXCHVCMEKL-UHFFFAOYSA-N 1 2 321.490 2.748 20 30 DFEDLO CCCc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)s1 ZINC000598670830 398851837 /nfs/dbraw/zinc/85/18/37/398851837.db2.gz HCHFLXCHVCMEKL-UHFFFAOYSA-N 1 2 321.490 2.748 20 30 DFEDLO CCCC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000598687958 398855660 /nfs/dbraw/zinc/85/56/60/398855660.db2.gz SMSDSSQKIBABIE-KRWDZBQOSA-N 1 2 323.481 2.523 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1Cl ZINC000594941539 398877576 /nfs/dbraw/zinc/87/75/76/398877576.db2.gz VDBMPVMOHARZST-UHFFFAOYSA-N 1 2 301.781 2.818 20 30 DFEDLO C=CCCCN(C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000076955319 398876174 /nfs/dbraw/zinc/87/61/74/398876174.db2.gz CUDMJWXJNPKJQI-UHFFFAOYSA-N 1 2 322.478 2.715 20 30 DFEDLO Cc1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000077030629 398880520 /nfs/dbraw/zinc/88/05/20/398880520.db2.gz UEUJCPAGTQIOHI-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000053812947 398882440 /nfs/dbraw/zinc/88/24/40/398882440.db2.gz XPPXUDAERMDJSO-UHFFFAOYSA-N 1 2 315.461 2.542 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c(C#N)c1C ZINC000180864725 199220271 /nfs/dbraw/zinc/22/02/71/199220271.db2.gz NWFWNQVAIHHXHQ-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c(C#N)c1C ZINC000180864725 199220273 /nfs/dbraw/zinc/22/02/73/199220273.db2.gz NWFWNQVAIHHXHQ-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO COc1cc2c(cc1C[NH2+]CC1(C#N)CCCCC1)OCO2 ZINC000594980780 398886106 /nfs/dbraw/zinc/88/61/06/398886106.db2.gz ADZNBKBHXYVQRS-UHFFFAOYSA-N 1 2 302.374 2.988 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nccs1)Cc1ccc(OC)cc1 ZINC000054272474 398894300 /nfs/dbraw/zinc/89/43/00/398894300.db2.gz PWDTYALZVRZGQD-UHFFFAOYSA-N 1 2 317.414 2.778 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nccs1)Cc1ccc(OC)cc1 ZINC000054272474 398894304 /nfs/dbraw/zinc/89/43/04/398894304.db2.gz PWDTYALZVRZGQD-UHFFFAOYSA-N 1 2 317.414 2.778 20 30 DFEDLO CC(C)OCCN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186284923 199939132 /nfs/dbraw/zinc/93/91/32/199939132.db2.gz SAXMMHDXIDBMPQ-MRXNPFEDSA-N 1 2 301.434 2.662 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000143241664 398901852 /nfs/dbraw/zinc/90/18/52/398901852.db2.gz DMCXRVIJANRSNY-ZAOZSLGCSA-N 1 2 303.450 2.551 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000143241664 398901857 /nfs/dbraw/zinc/90/18/57/398901857.db2.gz DMCXRVIJANRSNY-ZAOZSLGCSA-N 1 2 303.450 2.551 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCC3(CC3)C2)C1=O ZINC000187011889 200047236 /nfs/dbraw/zinc/04/72/36/200047236.db2.gz NKPJJPHAKSRNKP-CYBMUJFWSA-N 1 2 301.415 2.601 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCC3(CC3)C2)C1=O ZINC000187011889 200047238 /nfs/dbraw/zinc/04/72/38/200047238.db2.gz NKPJJPHAKSRNKP-CYBMUJFWSA-N 1 2 301.415 2.601 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000281050472 216047379 /nfs/dbraw/zinc/04/73/79/216047379.db2.gz XBBPBUWZAQMTBY-UHFFFAOYSA-N 1 2 318.384 2.917 20 30 DFEDLO CC1=C(Br)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000281073381 216060975 /nfs/dbraw/zinc/06/09/75/216060975.db2.gz KVIOTJVOBZHJTA-HNNXBMFYSA-N 1 2 321.218 2.966 20 30 DFEDLO CC1=C(Br)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000281073381 216060977 /nfs/dbraw/zinc/06/09/77/216060977.db2.gz KVIOTJVOBZHJTA-HNNXBMFYSA-N 1 2 321.218 2.966 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000595396755 398931880 /nfs/dbraw/zinc/93/18/80/398931880.db2.gz GIUISEMQDJJACD-MRXNPFEDSA-N 1 2 314.458 2.962 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077975898 398932203 /nfs/dbraw/zinc/93/22/03/398932203.db2.gz PVJHGSXKKFKQCT-KRWDZBQOSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077975898 398932205 /nfs/dbraw/zinc/93/22/05/398932205.db2.gz PVJHGSXKKFKQCT-KRWDZBQOSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055695795 398939859 /nfs/dbraw/zinc/93/98/59/398939859.db2.gz XEEVWKSXWZANED-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1C#N ZINC000599249800 398942519 /nfs/dbraw/zinc/94/25/19/398942519.db2.gz ZZJLLTFPACVETF-UHFFFAOYSA-N 1 2 313.445 2.947 20 30 DFEDLO CN1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000595465038 398944347 /nfs/dbraw/zinc/94/43/47/398944347.db2.gz MOEIFSGJMORQNU-GJZGRUSLSA-N 1 2 315.808 2.616 20 30 DFEDLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@H](O)CC2(C#N)CC2)cs1 ZINC000599300340 398950773 /nfs/dbraw/zinc/95/07/73/398950773.db2.gz PMSCEKRETNYAOW-GXTWGEPZSA-N 1 2 323.462 2.727 20 30 DFEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](O)CC2(C#N)CC2)cs1 ZINC000599300340 398950775 /nfs/dbraw/zinc/95/07/75/398950775.db2.gz PMSCEKRETNYAOW-GXTWGEPZSA-N 1 2 323.462 2.727 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000613351700 398958490 /nfs/dbraw/zinc/95/84/90/398958490.db2.gz BNJXFAPCLWUNPN-CXAGYDPISA-N 1 2 303.406 2.644 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000056312403 398960988 /nfs/dbraw/zinc/96/09/88/398960988.db2.gz IBHHHHVNESFAGE-SFHVURJKSA-N 1 2 315.392 2.622 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000056312403 398960990 /nfs/dbraw/zinc/96/09/90/398960990.db2.gz IBHHHHVNESFAGE-SFHVURJKSA-N 1 2 315.392 2.622 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C)c(C#N)c2)CC[S@@]1=O ZINC000599365720 398964134 /nfs/dbraw/zinc/96/41/34/398964134.db2.gz HJRJOQGUPVYMEV-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C)c(C#N)c2)CC[S@@]1=O ZINC000599365720 398964139 /nfs/dbraw/zinc/96/41/39/398964139.db2.gz HJRJOQGUPVYMEV-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000600144583 398968640 /nfs/dbraw/zinc/96/86/40/398968640.db2.gz MJKVAQUUHKYIMO-QGZVFWFLSA-N 1 2 303.406 2.934 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000600144583 398968646 /nfs/dbraw/zinc/96/86/46/398968646.db2.gz MJKVAQUUHKYIMO-QGZVFWFLSA-N 1 2 303.406 2.934 20 30 DFEDLO CCS(=O)(=O)C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000193267625 201016536 /nfs/dbraw/zinc/01/65/36/201016536.db2.gz QELOZWRISQHJGD-ZDUSSCGKSA-N 1 2 306.431 2.518 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000599414636 398975461 /nfs/dbraw/zinc/97/54/61/398975461.db2.gz FOCBYRRWKDBBJU-GDLCADMTSA-N 1 2 321.783 2.866 20 30 DFEDLO CC[N@H+](Cc1ncnn1CCF)[C@H](C)c1ccc(C#N)cc1 ZINC000281552620 216378441 /nfs/dbraw/zinc/37/84/41/216378441.db2.gz ZCQNWMJQDXPKPV-CYBMUJFWSA-N 1 2 301.369 2.702 20 30 DFEDLO CC[N@@H+](Cc1ncnn1CCF)[C@H](C)c1ccc(C#N)cc1 ZINC000281552620 216378443 /nfs/dbraw/zinc/37/84/43/216378443.db2.gz ZCQNWMJQDXPKPV-CYBMUJFWSA-N 1 2 301.369 2.702 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1[nH+]ccn1C ZINC000595599750 398991943 /nfs/dbraw/zinc/99/19/43/398991943.db2.gz BOXVOUKOGOCTSW-SNVBAGLBSA-N 1 2 317.780 2.506 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000599494192 398993037 /nfs/dbraw/zinc/99/30/37/398993037.db2.gz FWHZURJENAGDQF-KRWDZBQOSA-N 1 2 301.390 2.649 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000599494192 398993042 /nfs/dbraw/zinc/99/30/42/398993042.db2.gz FWHZURJENAGDQF-KRWDZBQOSA-N 1 2 301.390 2.649 20 30 DFEDLO C[C@H]1C[NH+](CC(=O)Nc2sccc2C#N)C[C@H](C)C1(F)F ZINC000599513756 398999843 /nfs/dbraw/zinc/99/98/43/398999843.db2.gz UBEZWXMDCYRQBW-UWVGGRQHSA-N 1 2 313.373 2.781 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000595616128 399002968 /nfs/dbraw/zinc/00/29/68/399002968.db2.gz PYZVDHDMWNGOLT-DOMZBBRYSA-N 1 2 319.355 2.696 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000595616128 399002972 /nfs/dbraw/zinc/00/29/72/399002972.db2.gz PYZVDHDMWNGOLT-DOMZBBRYSA-N 1 2 319.355 2.696 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615727 399003138 /nfs/dbraw/zinc/00/31/38/399003138.db2.gz NHEDTEVBZKOHFS-NEPJUHHUSA-N 1 2 306.797 2.688 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615727 399003140 /nfs/dbraw/zinc/00/31/40/399003140.db2.gz NHEDTEVBZKOHFS-NEPJUHHUSA-N 1 2 306.797 2.688 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617084 399002503 /nfs/dbraw/zinc/00/25/03/399002503.db2.gz TYWPHEVBHVBBLP-CYBMUJFWSA-N 1 2 319.371 2.659 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617084 399002508 /nfs/dbraw/zinc/00/25/08/399002508.db2.gz TYWPHEVBHVBBLP-CYBMUJFWSA-N 1 2 319.371 2.659 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595621086 399005483 /nfs/dbraw/zinc/00/54/83/399005483.db2.gz SUIHYHMGCGSLEA-CYBMUJFWSA-N 1 2 316.430 2.801 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C#N)c1C ZINC000595621086 399005490 /nfs/dbraw/zinc/00/54/90/399005490.db2.gz SUIHYHMGCGSLEA-CYBMUJFWSA-N 1 2 316.430 2.801 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599537239 399006098 /nfs/dbraw/zinc/00/60/98/399006098.db2.gz BNXLSLSMQVSJGU-UHFFFAOYSA-N 1 2 313.382 2.670 20 30 DFEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599537239 399006101 /nfs/dbraw/zinc/00/61/01/399006101.db2.gz BNXLSLSMQVSJGU-UHFFFAOYSA-N 1 2 313.382 2.670 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620763 399006457 /nfs/dbraw/zinc/00/64/57/399006457.db2.gz QBMVEVLKNADNAL-RHSMWYFYSA-N 1 2 315.392 2.947 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620763 399006462 /nfs/dbraw/zinc/00/64/62/399006462.db2.gz QBMVEVLKNADNAL-RHSMWYFYSA-N 1 2 315.392 2.947 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000599550044 399012295 /nfs/dbraw/zinc/01/22/95/399012295.db2.gz VSPFSFYWDJWTGA-VXGBXAGGSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000599550044 399012300 /nfs/dbraw/zinc/01/23/00/399012300.db2.gz VSPFSFYWDJWTGA-VXGBXAGGSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+](CCC(C)(C)C#N)CC2 ZINC000599550144 399011740 /nfs/dbraw/zinc/01/17/40/399011740.db2.gz ZRTKHTKXKSGEGY-UHFFFAOYSA-N 1 2 304.365 2.910 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000599550144 399011744 /nfs/dbraw/zinc/01/17/44/399011744.db2.gz ZRTKHTKXKSGEGY-UHFFFAOYSA-N 1 2 304.365 2.910 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599550761 399012430 /nfs/dbraw/zinc/01/24/30/399012430.db2.gz AUTXPYHOAYUSCJ-UHFFFAOYSA-N 1 2 311.332 2.828 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCCC(F)(F)CC2)c(C#N)c1C ZINC000599550761 399012431 /nfs/dbraw/zinc/01/24/31/399012431.db2.gz AUTXPYHOAYUSCJ-UHFFFAOYSA-N 1 2 311.332 2.828 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)COC ZINC000595648309 399018718 /nfs/dbraw/zinc/01/87/18/399018718.db2.gz SKWXBVOURDVRAH-ZDUSSCGKSA-N 1 2 312.373 2.631 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)COC ZINC000595648309 399018724 /nfs/dbraw/zinc/01/87/24/399018724.db2.gz SKWXBVOURDVRAH-ZDUSSCGKSA-N 1 2 312.373 2.631 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582298 399021424 /nfs/dbraw/zinc/02/14/24/399021424.db2.gz MOKHVOLIQNJWQV-XJKSGUPXSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582298 399021432 /nfs/dbraw/zinc/02/14/32/399021432.db2.gz MOKHVOLIQNJWQV-XJKSGUPXSA-N 1 2 315.417 2.753 20 30 DFEDLO COC(=O)C[N@H+](Cc1cc(C#N)ccc1OC)C1CCCCC1 ZINC000595669308 399026438 /nfs/dbraw/zinc/02/64/38/399026438.db2.gz SXKWTQLTWCNWMP-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO COC(=O)C[N@@H+](Cc1cc(C#N)ccc1OC)C1CCCCC1 ZINC000595669308 399026441 /nfs/dbraw/zinc/02/64/41/399026441.db2.gz SXKWTQLTWCNWMP-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599607523 399028323 /nfs/dbraw/zinc/02/83/23/399028323.db2.gz IPPOSHBZWUAKCP-MLGOLLRUSA-N 1 2 324.384 2.781 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599607523 399028327 /nfs/dbraw/zinc/02/83/27/399028327.db2.gz IPPOSHBZWUAKCP-MLGOLLRUSA-N 1 2 324.384 2.781 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674692 399029206 /nfs/dbraw/zinc/02/92/06/399029206.db2.gz KIBOTZCTIVAMMU-ZBFHGGJFSA-N 1 2 315.417 2.957 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674692 399029210 /nfs/dbraw/zinc/02/92/10/399029210.db2.gz KIBOTZCTIVAMMU-ZBFHGGJFSA-N 1 2 315.417 2.957 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)/C=C\c3cccc(C#N)c3)cn2c1 ZINC000057268059 399029246 /nfs/dbraw/zinc/02/92/46/399029246.db2.gz QPJDLXHOXFSJAY-VURMDHGXSA-N 1 2 316.364 2.844 20 30 DFEDLO CC(C)(C#N)CCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000599615422 399030922 /nfs/dbraw/zinc/03/09/22/399030922.db2.gz ZQIHRBVUBRGYDD-UHFFFAOYSA-N 1 2 319.424 2.904 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595680479 399031812 /nfs/dbraw/zinc/03/18/12/399031812.db2.gz HRRDSLUWXOXWHY-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595680479 399031808 /nfs/dbraw/zinc/03/18/08/399031808.db2.gz HRRDSLUWXOXWHY-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc(F)cc1F ZINC000595690400 399036361 /nfs/dbraw/zinc/03/63/61/399036361.db2.gz BLSOYIAUZAWIEZ-MJVIPROJSA-N 1 2 307.344 2.964 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000595689312 399036944 /nfs/dbraw/zinc/03/69/44/399036944.db2.gz LNNZHCBKBLBTBK-JSGCOSHPSA-N 1 2 317.345 2.553 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1cc(F)ccc1F ZINC000595694633 399037864 /nfs/dbraw/zinc/03/78/64/399037864.db2.gz ZUPVCVPEMUFUID-COPLHBTASA-N 1 2 307.344 2.964 20 30 DFEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000057385819 399037909 /nfs/dbraw/zinc/03/79/09/399037909.db2.gz GMMWWAREDDTBIW-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000595694412 399038378 /nfs/dbraw/zinc/03/83/78/399038378.db2.gz XYDKYIDHUPCTTA-TZMCWYRMSA-N 1 2 321.446 2.809 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595692448 399038196 /nfs/dbraw/zinc/03/81/96/399038196.db2.gz OEFWPAXZFQOSRS-ZIAGYGMSSA-N 1 2 301.390 2.614 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 ZINC000605719003 399040498 /nfs/dbraw/zinc/04/04/98/399040498.db2.gz MGKWAYWLKXNWEP-INIZCTEOSA-N 1 2 316.445 2.737 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000595698897 399043075 /nfs/dbraw/zinc/04/30/75/399043075.db2.gz LAVOSQRWWLFKFI-CJNGLKHVSA-N 1 2 301.390 2.696 20 30 DFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595700515 399044371 /nfs/dbraw/zinc/04/43/71/399044371.db2.gz NQFFUWZWZMCWHE-GXTWGEPZSA-N 1 2 316.361 2.514 20 30 DFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595700516 399044625 /nfs/dbraw/zinc/04/46/25/399044625.db2.gz NQFFUWZWZMCWHE-JSGCOSHPSA-N 1 2 316.361 2.514 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595698224 399041243 /nfs/dbraw/zinc/04/12/43/399041243.db2.gz NBXNGQSKZLZDFO-ABAIWWIYSA-N 1 2 317.345 2.633 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000595696970 399041309 /nfs/dbraw/zinc/04/13/09/399041309.db2.gz CKNLRTSKXRAYCJ-FZMZJTMJSA-N 1 2 323.343 2.898 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nnc4n3CCCCC4)CC2)c1 ZINC000271793975 209222472 /nfs/dbraw/zinc/22/24/72/209222472.db2.gz NVBDQBYABRZUIV-UHFFFAOYSA-N 1 2 307.401 2.655 20 30 DFEDLO COc1ccnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1OC ZINC000599677674 399058304 /nfs/dbraw/zinc/05/83/04/399058304.db2.gz JJOSAKQBZFOMOB-UHFFFAOYSA-N 1 2 323.396 2.723 20 30 DFEDLO COc1ccnc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1OC ZINC000599677674 399058313 /nfs/dbraw/zinc/05/83/13/399058313.db2.gz JJOSAKQBZFOMOB-UHFFFAOYSA-N 1 2 323.396 2.723 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(F)c1)C2 ZINC000599686809 399063021 /nfs/dbraw/zinc/06/30/21/399063021.db2.gz ZJZJAYBTDBTBJX-UHFFFAOYSA-N 1 2 323.371 2.889 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1cccc(F)c1)C2 ZINC000599686809 399063026 /nfs/dbraw/zinc/06/30/26/399063026.db2.gz ZJZJAYBTDBTBJX-UHFFFAOYSA-N 1 2 323.371 2.889 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C#N ZINC000595817162 399096798 /nfs/dbraw/zinc/09/67/98/399096798.db2.gz GYWAGEOSFKSXBZ-LLVKDONJSA-N 1 2 316.430 2.671 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C#N ZINC000595817162 399096804 /nfs/dbraw/zinc/09/68/04/399096804.db2.gz GYWAGEOSFKSXBZ-LLVKDONJSA-N 1 2 316.430 2.671 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834528 399105571 /nfs/dbraw/zinc/10/55/71/399105571.db2.gz LUVBMUOWOXSRKW-LRDDRELGSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834528 399105573 /nfs/dbraw/zinc/10/55/73/399105573.db2.gz LUVBMUOWOXSRKW-LRDDRELGSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000595839965 399108046 /nfs/dbraw/zinc/10/80/46/399108046.db2.gz MYBTYIXAONDFKN-LJQANCHMSA-N 1 2 323.396 2.945 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000595839965 399108050 /nfs/dbraw/zinc/10/80/50/399108050.db2.gz MYBTYIXAONDFKN-LJQANCHMSA-N 1 2 323.396 2.945 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841980 399108989 /nfs/dbraw/zinc/10/89/89/399108989.db2.gz PQUNPJCKRUERQC-SKDZVZGDSA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595841980 399108991 /nfs/dbraw/zinc/10/89/91/399108991.db2.gz PQUNPJCKRUERQC-SKDZVZGDSA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841487 399109738 /nfs/dbraw/zinc/10/97/38/399109738.db2.gz VGHJHWQWMREGRE-HILOLKJVSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841487 399109744 /nfs/dbraw/zinc/10/97/44/399109744.db2.gz VGHJHWQWMREGRE-HILOLKJVSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595845702 399110784 /nfs/dbraw/zinc/11/07/84/399110784.db2.gz UMJRXCIALHPNCS-QWHCGFSZSA-N 1 2 311.389 2.755 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1=CCSC1 ZINC000595887584 399123799 /nfs/dbraw/zinc/12/37/99/399123799.db2.gz GRWUHQDCAVZBNM-UHFFFAOYSA-N 1 2 321.833 2.755 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1=CCSC1 ZINC000595887584 399123804 /nfs/dbraw/zinc/12/38/04/399123804.db2.gz GRWUHQDCAVZBNM-UHFFFAOYSA-N 1 2 321.833 2.755 20 30 DFEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2n1CCCCC2 ZINC000093492283 193259711 /nfs/dbraw/zinc/25/97/11/193259711.db2.gz SQOPSYWYSDCIJB-NSHDSACASA-N 1 2 301.419 2.788 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595913484 399133611 /nfs/dbraw/zinc/13/36/11/399133611.db2.gz DWEFRLUDPGJEBZ-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595913484 399133614 /nfs/dbraw/zinc/13/36/14/399133614.db2.gz DWEFRLUDPGJEBZ-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600746515 399133868 /nfs/dbraw/zinc/13/38/68/399133868.db2.gz UODPANVYQZZJTL-ZDUSSCGKSA-N 1 2 312.360 2.569 20 30 DFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1C#N ZINC000282448169 217003794 /nfs/dbraw/zinc/00/37/94/217003794.db2.gz UWPLCUQAAWZGEV-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1C#N ZINC000282448169 217003797 /nfs/dbraw/zinc/00/37/97/217003797.db2.gz UWPLCUQAAWZGEV-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000595919017 399136346 /nfs/dbraw/zinc/13/63/46/399136346.db2.gz PZCIFZNGKCVIIE-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000595919017 399136351 /nfs/dbraw/zinc/13/63/51/399136351.db2.gz PZCIFZNGKCVIIE-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO Cn1cc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000614058858 399142833 /nfs/dbraw/zinc/14/28/33/399142833.db2.gz JQNQISQUCVCHAG-SFHVURJKSA-N 1 2 321.359 2.705 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000264618782 204031302 /nfs/dbraw/zinc/03/13/02/204031302.db2.gz QILJAKHJFLLLDB-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000264618782 204031306 /nfs/dbraw/zinc/03/13/06/204031306.db2.gz QILJAKHJFLLLDB-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO C#CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264717803 204101376 /nfs/dbraw/zinc/10/13/76/204101376.db2.gz FWUJOABKEFYOED-CQSZACIVSA-N 1 2 324.384 2.833 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596054110 399156325 /nfs/dbraw/zinc/15/63/25/399156325.db2.gz LPLXVNVQYWWPMM-SFHVURJKSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596054110 399156327 /nfs/dbraw/zinc/15/63/27/399156327.db2.gz LPLXVNVQYWWPMM-SFHVURJKSA-N 1 2 322.412 2.575 20 30 DFEDLO COc1ccccc1-c1cc(C[NH2+]C[C@@H](C#N)CCC#N)on1 ZINC000596068280 399161453 /nfs/dbraw/zinc/16/14/53/399161453.db2.gz XCJYHUVEFXJTTN-CYBMUJFWSA-N 1 2 310.357 2.883 20 30 DFEDLO N#Cc1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)c(F)c1 ZINC000618567731 399161746 /nfs/dbraw/zinc/16/17/46/399161746.db2.gz CCHBJFXOXZKCQF-MRXNPFEDSA-N 1 2 307.332 2.695 20 30 DFEDLO CC1CCN(c2ccc(CNc3c(C#N)cnn3C)c[nH+]2)CC1 ZINC000596080914 399166695 /nfs/dbraw/zinc/16/66/95/399166695.db2.gz POXPPMOGWGUODW-UHFFFAOYSA-N 1 2 310.405 2.535 20 30 DFEDLO C#CCN(C(=O)NCc1ccc[nH+]c1N(C)C)C1CCCCC1 ZINC000062485733 399171113 /nfs/dbraw/zinc/17/11/13/399171113.db2.gz UCLAYUGHBDJXLT-UHFFFAOYSA-N 1 2 314.433 2.625 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000266009879 205024592 /nfs/dbraw/zinc/02/45/92/205024592.db2.gz RQGCYTFFQLYGLS-OAHLLOKOSA-N 1 2 324.403 2.971 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 ZINC000600946080 399184002 /nfs/dbraw/zinc/18/40/02/399184002.db2.gz NOPIHFDBSZGNPN-UHFFFAOYSA-N 1 2 323.440 2.723 20 30 DFEDLO O=C(c1ccsc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191955348 335018376 /nfs/dbraw/zinc/01/83/76/335018376.db2.gz COOLPWQFMPKFEC-UHFFFAOYSA-N 1 2 324.449 2.948 20 30 DFEDLO O=C(c1ccsc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191955348 335018378 /nfs/dbraw/zinc/01/83/78/335018378.db2.gz COOLPWQFMPKFEC-UHFFFAOYSA-N 1 2 324.449 2.948 20 30 DFEDLO Cc1ccccc1C(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000051352706 425883158 /nfs/dbraw/zinc/88/31/58/425883158.db2.gz IBSIRYBSENOCGJ-INIZCTEOSA-N 1 2 324.428 2.633 20 30 DFEDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000282891088 217305568 /nfs/dbraw/zinc/30/55/68/217305568.db2.gz WGSXDFODPCLULZ-NSHDSACASA-N 1 2 301.369 2.895 20 30 DFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000016554828 182048785 /nfs/dbraw/zinc/04/87/85/182048785.db2.gz YFEIVSVQERAJHR-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000016554828 182048787 /nfs/dbraw/zinc/04/87/87/182048787.db2.gz YFEIVSVQERAJHR-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCCCO1 ZINC000266504136 205394054 /nfs/dbraw/zinc/39/40/54/205394054.db2.gz BEHVFPZVIHTRFF-HNNXBMFYSA-N 1 2 312.373 2.609 20 30 DFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCCCO1 ZINC000266504136 205394058 /nfs/dbraw/zinc/39/40/58/205394058.db2.gz BEHVFPZVIHTRFF-HNNXBMFYSA-N 1 2 312.373 2.609 20 30 DFEDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C ZINC000614397424 399225209 /nfs/dbraw/zinc/22/52/09/399225209.db2.gz SXFKIXLEVPQPER-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C ZINC000614397424 399225214 /nfs/dbraw/zinc/22/52/14/399225214.db2.gz SXFKIXLEVPQPER-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601111599 399230614 /nfs/dbraw/zinc/23/06/14/399230614.db2.gz UCTIKWDNJBRIQB-CQSZACIVSA-N 1 2 308.389 2.691 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@H](C)C#N ZINC000064795621 399231929 /nfs/dbraw/zinc/23/19/29/399231929.db2.gz RIDGNYLTOUVHNP-MGPQQGTHSA-N 1 2 305.447 2.892 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@H](C)C#N ZINC000064795621 399231935 /nfs/dbraw/zinc/23/19/35/399231935.db2.gz RIDGNYLTOUVHNP-MGPQQGTHSA-N 1 2 305.447 2.892 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000192223758 335024093 /nfs/dbraw/zinc/02/40/93/335024093.db2.gz DEJOJMVXDPRNQB-SFHVURJKSA-N 1 2 314.429 2.704 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000192223758 335024094 /nfs/dbraw/zinc/02/40/94/335024094.db2.gz DEJOJMVXDPRNQB-SFHVURJKSA-N 1 2 314.429 2.704 20 30 DFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCCCn1cc[nH+]c1 ZINC000618806593 399239110 /nfs/dbraw/zinc/23/91/10/399239110.db2.gz QIHAEBSWUDRYAA-KRWDZBQOSA-N 1 2 323.400 2.522 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3cccc(F)c3C#N)[nH+]c12 ZINC000614498952 399240537 /nfs/dbraw/zinc/24/05/37/399240537.db2.gz KFKFDCZZDIUDKM-UHFFFAOYSA-N 1 2 322.343 2.626 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000285561992 335027330 /nfs/dbraw/zinc/02/73/30/335027330.db2.gz ZBOWOQHVRQBJSY-HKUYNNGSSA-N 1 2 316.445 2.873 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000285561992 335027331 /nfs/dbraw/zinc/02/73/31/335027331.db2.gz ZBOWOQHVRQBJSY-HKUYNNGSSA-N 1 2 316.445 2.873 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285829268 335029762 /nfs/dbraw/zinc/02/97/62/335029762.db2.gz VXCZTEBCOZIUTB-NWDGAFQWSA-N 1 2 309.360 2.600 20 30 DFEDLO C=CCCCCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000563823552 335029587 /nfs/dbraw/zinc/02/95/87/335029587.db2.gz WQTJPWWPSFPDRZ-UHFFFAOYSA-N 1 2 316.449 2.655 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000614624537 399253806 /nfs/dbraw/zinc/25/38/06/399253806.db2.gz SLSIJSBDFQPXQL-UHFFFAOYSA-N 1 2 314.776 2.681 20 30 DFEDLO N#CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000601205808 399254527 /nfs/dbraw/zinc/25/45/27/399254527.db2.gz IRSGDUJXFZVSDK-UHFFFAOYSA-N 1 2 308.385 2.710 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)nc1 ZINC000618904907 399255677 /nfs/dbraw/zinc/25/56/77/399255677.db2.gz HAXRCLPBGQIFRY-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601210457 399255748 /nfs/dbraw/zinc/25/57/48/399255748.db2.gz PTELGXHVRWCBHQ-UHFFFAOYSA-N 1 2 322.412 2.799 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000618903875 399255284 /nfs/dbraw/zinc/25/52/84/399255284.db2.gz WJZLRFBTYUINCR-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000618903875 399255287 /nfs/dbraw/zinc/25/52/87/399255287.db2.gz WJZLRFBTYUINCR-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO C[C@H](c1cnn(Cc2ccccc2)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601315436 399275727 /nfs/dbraw/zinc/27/57/27/399275727.db2.gz JYUZQXQVKKTAFX-QGZVFWFLSA-N 1 2 323.444 2.524 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000614962392 399285171 /nfs/dbraw/zinc/28/51/71/399285171.db2.gz AHFUYYQYBZVQKC-XJKSGUPXSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000614962392 399285176 /nfs/dbraw/zinc/28/51/76/399285176.db2.gz AHFUYYQYBZVQKC-XJKSGUPXSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601432814 399289337 /nfs/dbraw/zinc/28/93/37/399289337.db2.gz ZQBDISILDBVYIU-SFHVURJKSA-N 1 2 308.385 2.567 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784729 399294994 /nfs/dbraw/zinc/29/49/94/399294994.db2.gz PFRZMFOSERBXIV-QWRGUYRKSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784729 399294995 /nfs/dbraw/zinc/29/49/95/399294995.db2.gz PFRZMFOSERBXIV-QWRGUYRKSA-N 1 2 317.216 2.825 20 30 DFEDLO C=CCC1(NC(=O)C2CC[NH+](CC(F)F)CC2)CCCC1 ZINC000619110723 399296852 /nfs/dbraw/zinc/29/68/52/399296852.db2.gz OEUXIPIPFHWRLZ-UHFFFAOYSA-N 1 2 300.393 2.969 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(N4CCC4=O)c3)n2c1 ZINC000619199885 399312901 /nfs/dbraw/zinc/31/29/01/399312901.db2.gz HDHHPMZHZGBIQI-UHFFFAOYSA-N 1 2 317.352 2.555 20 30 DFEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000619291572 399325723 /nfs/dbraw/zinc/32/57/23/399325723.db2.gz CNLHDUWIIDOSHO-HNNXBMFYSA-N 1 2 315.336 2.527 20 30 DFEDLO CCN(c1[nH+]cnc2c1cnn2CCC#N)[C@@H](C)c1cccnc1 ZINC000609670928 399329464 /nfs/dbraw/zinc/32/94/64/399329464.db2.gz XQSOGHOZMBKRFG-ZDUSSCGKSA-N 1 2 321.388 2.722 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286825795 335040063 /nfs/dbraw/zinc/04/00/63/335040063.db2.gz LRBGLXDJWAYMHT-UKRRQHHQSA-N 1 2 305.422 2.606 20 30 DFEDLO C#CCN(C(=O)NCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000274132532 211384013 /nfs/dbraw/zinc/38/40/13/211384013.db2.gz PLACXEQTFUQDOR-UHFFFAOYSA-N 1 2 310.401 2.542 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000609894930 399336043 /nfs/dbraw/zinc/33/60/43/399336043.db2.gz OUZVHHCZSFPNHF-LJQANCHMSA-N 1 2 308.429 2.901 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610027017 399339986 /nfs/dbraw/zinc/33/99/86/399339986.db2.gz WQTSQMIUCYJPRQ-UHFFFAOYSA-N 1 2 305.341 2.870 20 30 DFEDLO CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000601808781 399340388 /nfs/dbraw/zinc/34/03/88/399340388.db2.gz XHTZTIBRTAJKHF-DOTOQJQBSA-N 1 2 308.385 2.565 20 30 DFEDLO CC[N@H+](CCCNC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000615528425 399348162 /nfs/dbraw/zinc/34/81/62/399348162.db2.gz CSZUUIRRCOXULS-KRWDZBQOSA-N 1 2 318.396 2.550 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000615528425 399348166 /nfs/dbraw/zinc/34/81/66/399348166.db2.gz CSZUUIRRCOXULS-KRWDZBQOSA-N 1 2 318.396 2.550 20 30 DFEDLO C[C@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]1c1ccccc1 ZINC000610283159 399353420 /nfs/dbraw/zinc/35/34/20/399353420.db2.gz LQECCVKBMWFYHZ-XJKSGUPXSA-N 1 2 318.384 2.937 20 30 DFEDLO C[C@H](CCc1cccn1C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280894 399353451 /nfs/dbraw/zinc/35/34/51/399353451.db2.gz FUVZXHAXGYORCC-CYBMUJFWSA-N 1 2 323.404 2.512 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000610279883 399353480 /nfs/dbraw/zinc/35/34/80/399353480.db2.gz FVSNNVVTSZMMGS-GOEBONIOSA-N 1 2 318.384 2.783 20 30 DFEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000610391827 399363221 /nfs/dbraw/zinc/36/32/21/399363221.db2.gz UDDRAGLMZDKXTN-UHFFFAOYSA-N 1 2 316.323 2.946 20 30 DFEDLO COCC[N@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000610391827 399363224 /nfs/dbraw/zinc/36/32/24/399363224.db2.gz UDDRAGLMZDKXTN-UHFFFAOYSA-N 1 2 316.323 2.946 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610410218 399364941 /nfs/dbraw/zinc/36/49/41/399364941.db2.gz ITMQKHBEHBKPLQ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610410218 399364943 /nfs/dbraw/zinc/36/49/43/399364943.db2.gz ITMQKHBEHBKPLQ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO CN1CCCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000601971129 399371920 /nfs/dbraw/zinc/37/19/20/399371920.db2.gz TZFWMNSFCFTNNM-OAHLLOKOSA-N 1 2 305.809 2.654 20 30 DFEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000601971129 399371924 /nfs/dbraw/zinc/37/19/24/399371924.db2.gz TZFWMNSFCFTNNM-OAHLLOKOSA-N 1 2 305.809 2.654 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(O)c(=O)c1 ZINC000601980532 399373579 /nfs/dbraw/zinc/37/35/79/399373579.db2.gz MRJHBEYPDGKZBL-ZBFHGGJFSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(O)c(=O)c1 ZINC000601980532 399373581 /nfs/dbraw/zinc/37/35/81/399373581.db2.gz MRJHBEYPDGKZBL-ZBFHGGJFSA-N 1 2 300.402 3.000 20 30 DFEDLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1[nH+]cnc2c1cnn2CCC#N ZINC000610575864 399381714 /nfs/dbraw/zinc/38/17/14/399381714.db2.gz FLXFXLMQSNCHKY-NFAWXSAZSA-N 1 2 310.405 2.897 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000619717150 399381780 /nfs/dbraw/zinc/38/17/80/399381780.db2.gz BMABBMJVMOQVDX-INIZCTEOSA-N 1 2 303.402 2.677 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000602007192 399381883 /nfs/dbraw/zinc/38/18/83/399381883.db2.gz WUJJOQVTDBTVTC-UHFFFAOYSA-N 1 2 310.376 2.982 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000615759185 399381374 /nfs/dbraw/zinc/38/13/74/399381374.db2.gz VXFVHTDHHAPIKL-ZDUSSCGKSA-N 1 2 312.348 2.531 20 30 DFEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1Br ZINC000619719910 399382218 /nfs/dbraw/zinc/38/22/18/399382218.db2.gz MMLGHVBGJTWOMP-UHFFFAOYSA-N 1 2 322.250 2.789 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619718863 399382256 /nfs/dbraw/zinc/38/22/56/399382256.db2.gz DCZMCBZAVGGWDS-JSGCOSHPSA-N 1 2 300.358 2.735 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619718863 399382259 /nfs/dbraw/zinc/38/22/59/399382259.db2.gz DCZMCBZAVGGWDS-JSGCOSHPSA-N 1 2 300.358 2.735 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000619719979 399382330 /nfs/dbraw/zinc/38/23/30/399382330.db2.gz QQKJURZCFYNTPD-AWEZNQCLSA-N 1 2 309.793 2.911 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1ccccc1=O ZINC000610604067 399385925 /nfs/dbraw/zinc/38/59/25/399385925.db2.gz PILJXSQIOUWHMN-QZTJIDSGSA-N 1 2 307.397 2.620 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccccc1=O ZINC000610604067 399385933 /nfs/dbraw/zinc/38/59/33/399385933.db2.gz PILJXSQIOUWHMN-QZTJIDSGSA-N 1 2 307.397 2.620 20 30 DFEDLO CC(C)(CNc1[nH+]cnc2c1cnn2CCC#N)C(F)(F)F ZINC000619745687 399386429 /nfs/dbraw/zinc/38/64/29/399386429.db2.gz POGMAOOWJLGTHZ-UHFFFAOYSA-N 1 2 312.299 2.740 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000052148285 183851958 /nfs/dbraw/zinc/85/19/58/183851958.db2.gz AGFHFOMQKLFRSV-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH+]1 ZINC000602103798 399394905 /nfs/dbraw/zinc/39/49/05/399394905.db2.gz CTAKKESDIXXQNJ-DLBZAZTESA-N 1 2 322.412 2.813 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729942 399398767 /nfs/dbraw/zinc/39/87/67/399398767.db2.gz PZTLIANWYPPRIH-QWRGUYRKSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729942 399398771 /nfs/dbraw/zinc/39/87/71/399398771.db2.gz PZTLIANWYPPRIH-QWRGUYRKSA-N 1 2 317.216 2.967 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610969015 399423056 /nfs/dbraw/zinc/42/30/56/399423056.db2.gz ZQTKWCZESDZTGT-UHFFFAOYSA-N 1 2 305.381 2.612 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993313 399426292 /nfs/dbraw/zinc/42/62/92/399426292.db2.gz MPSDTJKGHLZJQA-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993313 399426295 /nfs/dbraw/zinc/42/62/95/399426295.db2.gz MPSDTJKGHLZJQA-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000602392605 399434833 /nfs/dbraw/zinc/43/48/33/399434833.db2.gz OIYFILURVGRROO-ZDUSSCGKSA-N 1 2 300.337 2.839 20 30 DFEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H]1c1ccccc1 ZINC000425267651 269704387 /nfs/dbraw/zinc/70/43/87/269704387.db2.gz MAVIGPWBIOTMCS-IAGOWNOFSA-N 1 2 321.380 2.655 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)C3)o2)c1 ZINC000611177035 399442227 /nfs/dbraw/zinc/44/22/27/399442227.db2.gz BSQRLVITRFIJSB-LBPRGKRZSA-N 1 2 322.290 2.992 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)o2)c1 ZINC000611177035 399442229 /nfs/dbraw/zinc/44/22/29/399442229.db2.gz BSQRLVITRFIJSB-LBPRGKRZSA-N 1 2 322.290 2.992 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616302770 399447488 /nfs/dbraw/zinc/44/74/88/399447488.db2.gz KKXOIFHNRJFJGK-JKSUJKDBSA-N 1 2 309.413 2.818 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616302770 399447490 /nfs/dbraw/zinc/44/74/90/399447490.db2.gz KKXOIFHNRJFJGK-JKSUJKDBSA-N 1 2 309.413 2.818 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616302769 399447611 /nfs/dbraw/zinc/44/76/11/399447611.db2.gz KKXOIFHNRJFJGK-HZPDHXFCSA-N 1 2 309.413 2.818 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616302769 399447615 /nfs/dbraw/zinc/44/76/15/399447615.db2.gz KKXOIFHNRJFJGK-HZPDHXFCSA-N 1 2 309.413 2.818 20 30 DFEDLO Cc1csc(N2CC[N@@H+](Cc3ccc(C#N)o3)C[C@H]2C)n1 ZINC000611269269 399454675 /nfs/dbraw/zinc/45/46/75/399454675.db2.gz KRPWQKHYUKDLCQ-GFCCVEGCSA-N 1 2 302.403 2.627 20 30 DFEDLO Cc1csc(N2CC[N@H+](Cc3ccc(C#N)o3)C[C@H]2C)n1 ZINC000611269269 399454679 /nfs/dbraw/zinc/45/46/79/399454679.db2.gz KRPWQKHYUKDLCQ-GFCCVEGCSA-N 1 2 302.403 2.627 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](Cc3cccc(C#N)n3)CCO2)ccc1F ZINC000602477796 399456156 /nfs/dbraw/zinc/45/61/56/399456156.db2.gz UHHFTBODZXRVAG-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cccc(C#N)n3)CCO2)ccc1F ZINC000602477796 399456160 /nfs/dbraw/zinc/45/61/60/399456160.db2.gz UHHFTBODZXRVAG-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000064442367 184297140 /nfs/dbraw/zinc/29/71/40/184297140.db2.gz MLKCPXGMTCIWJP-UHFFFAOYSA-N 1 2 316.788 2.867 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H](C)C2)c1C#N ZINC000611346664 399465058 /nfs/dbraw/zinc/46/50/58/399465058.db2.gz BAYKJYDRIKKGKN-ZDUSSCGKSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H](C)C2)c1C#N ZINC000611346664 399465062 /nfs/dbraw/zinc/46/50/62/399465062.db2.gz BAYKJYDRIKKGKN-ZDUSSCGKSA-N 1 2 312.442 2.990 20 30 DFEDLO N#CCCN(C(=O)C[N@H+]1CC=CCC1)c1cccc(Cl)c1 ZINC000611517232 399486273 /nfs/dbraw/zinc/48/62/73/399486273.db2.gz KACMOUOFIBFGJT-UHFFFAOYSA-N 1 2 303.793 2.849 20 30 DFEDLO N#CCCN(C(=O)C[N@@H+]1CC=CCC1)c1cccc(Cl)c1 ZINC000611517232 399486275 /nfs/dbraw/zinc/48/62/75/399486275.db2.gz KACMOUOFIBFGJT-UHFFFAOYSA-N 1 2 303.793 2.849 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000602610362 399490068 /nfs/dbraw/zinc/49/00/68/399490068.db2.gz ZVPYSBZACLTTQX-UHFFFAOYSA-N 1 2 318.421 2.501 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000611566023 399492846 /nfs/dbraw/zinc/49/28/46/399492846.db2.gz LOFLOTJXVPRWQR-NHYWBVRUSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000611566023 399492848 /nfs/dbraw/zinc/49/28/48/399492848.db2.gz LOFLOTJXVPRWQR-NHYWBVRUSA-N 1 2 308.385 2.572 20 30 DFEDLO 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Cc1cnc([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)o1 ZINC000329477963 543104654 /nfs/dbraw/zinc/10/46/54/543104654.db2.gz CDRCWXPVAYXQPW-GXTWGEPZSA-N 1 2 307.394 2.644 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)o1 ZINC000329477963 543104657 /nfs/dbraw/zinc/10/46/57/543104657.db2.gz CDRCWXPVAYXQPW-GXTWGEPZSA-N 1 2 307.394 2.644 20 30 DFEDLO COc1ccccc1[C@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604559140 399856220 /nfs/dbraw/zinc/85/62/20/399856220.db2.gz APOSPBMYIPUYLW-LBPRGKRZSA-N 1 2 322.372 2.922 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1ccc(F)cc1F ZINC000604559691 399856340 /nfs/dbraw/zinc/85/63/40/399856340.db2.gz KQXJEWDEYFXUPF-UHFFFAOYSA-N 1 2 314.299 2.630 20 30 DFEDLO C[C@@H](Cc1cccs1)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558477 399856489 /nfs/dbraw/zinc/85/64/89/399856489.db2.gz GCAPPHZUYYLKKL-NSHDSACASA-N 1 2 312.402 2.845 20 30 DFEDLO C=CC[C@@H](CO)CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357469818 543261876 /nfs/dbraw/zinc/26/18/76/543261876.db2.gz IUOBDYMUUFLODL-GFCCVEGCSA-N 1 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CC(C)Cn1cc[nH+]c1CNc1c(C#N)nnc2ccccc21 ZINC000361098159 149028426 /nfs/dbraw/zinc/02/84/26/149028426.db2.gz RZHIWGRQFBBKIN-UHFFFAOYSA-N 1 2 306.373 2.966 20 30 DFEDLO N#Cc1ccc2ncc(C[NH+]3CC(c4ccccc4F)C3)n2c1 ZINC000361252717 149066310 /nfs/dbraw/zinc/06/63/10/149066310.db2.gz RVWLDWOJDNJNBR-UHFFFAOYSA-N 1 2 306.344 2.944 20 30 DFEDLO Cc1ccncc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361423296 149111680 /nfs/dbraw/zinc/11/16/80/149111680.db2.gz BHTGQXMXWCCSGW-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361423296 149111685 /nfs/dbraw/zinc/11/16/85/149111685.db2.gz BHTGQXMXWCCSGW-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)C[C@]2(CCCOC2)O1 ZINC000361610872 149167693 /nfs/dbraw/zinc/16/76/93/149167693.db2.gz ORHOWDZBXOSBKO-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@]2(CCCOC2)O1 ZINC000361610872 149167694 /nfs/dbraw/zinc/16/76/94/149167694.db2.gz ORHOWDZBXOSBKO-SFHVURJKSA-N 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/nfs/dbraw/zinc/28/76/93/150287693.db2.gz JUKGWWKVQSPPON-IIDMSEBBSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373982204 150287694 /nfs/dbraw/zinc/28/76/94/150287694.db2.gz JUKGWWKVQSPPON-IIDMSEBBSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](C)O2 ZINC000374026320 150294307 /nfs/dbraw/zinc/29/43/07/150294307.db2.gz JOMKVWPRDUYWLM-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(F)ccc1C#N)C[C@H](C)O2 ZINC000374026320 150294308 /nfs/dbraw/zinc/29/43/08/150294308.db2.gz JOMKVWPRDUYWLM-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccncc1 ZINC000182876553 158009587 /nfs/dbraw/zinc/00/95/87/158009587.db2.gz FQEJMLXAFLSUDV-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000129041933 196014395 /nfs/dbraw/zinc/01/43/95/196014395.db2.gz OYJSSJWQIHOPIF-UHFFFAOYSA-N 1 2 323.396 2.808 20 30 DFEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000129041933 196014396 /nfs/dbraw/zinc/01/43/96/196014396.db2.gz OYJSSJWQIHOPIF-UHFFFAOYSA-N 1 2 323.396 2.808 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCc1ccc(C#N)cc1 ZINC000131501216 196175122 /nfs/dbraw/zinc/17/51/22/196175122.db2.gz RFRFIOMXLVGYMC-UHFFFAOYSA-N 1 2 310.401 2.660 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)CC1(C#N)CC1 ZINC000343318371 335072240 /nfs/dbraw/zinc/07/22/40/335072240.db2.gz GUJILWCWOBTWDQ-KRWDZBQOSA-N 1 2 313.445 2.513 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2ccc(C#N)cc2)CC1(C)C ZINC000295755457 225201415 /nfs/dbraw/zinc/20/14/15/225201415.db2.gz BMIZXGUNZUMXOL-IJDCCNJMSA-N 1 2 320.396 2.915 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1OC ZINC000668735547 543856330 /nfs/dbraw/zinc/85/63/30/543856330.db2.gz LDXLSNADKSOVOZ-UHFFFAOYSA-N 1 2 311.385 2.608 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3nccnc3C2)cc1OC ZINC000668735547 543856331 /nfs/dbraw/zinc/85/63/31/543856331.db2.gz LDXLSNADKSOVOZ-UHFFFAOYSA-N 1 2 311.385 2.608 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296678593 226114875 /nfs/dbraw/zinc/11/48/75/226114875.db2.gz LDVSKTWDFCCVJM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296678593 226114880 /nfs/dbraw/zinc/11/48/80/226114880.db2.gz LDVSKTWDFCCVJM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000671490220 544080658 /nfs/dbraw/zinc/08/06/58/544080658.db2.gz MJGOVQJTITVGII-MRXNPFEDSA-N 1 2 317.433 2.555 20 30 DFEDLO O=C(Cn1cc[nH+]c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000673634742 544187719 /nfs/dbraw/zinc/18/77/19/544187719.db2.gz RCAFDMYZBHYNQR-UHFFFAOYSA-N 1 2 307.378 2.983 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000673933784 544209021 /nfs/dbraw/zinc/20/90/21/544209021.db2.gz CEAZAGMXXNQKEJ-OAHLLOKOSA-N 1 2 320.408 2.624 20 30 DFEDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000673936274 544209235 /nfs/dbraw/zinc/20/92/35/544209235.db2.gz XHJQQHHWTPSCIT-UHFFFAOYSA-N 1 2 301.349 2.740 20 30 DFEDLO O=C(NCc1c[nH]c[nH+]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000673936274 544209236 /nfs/dbraw/zinc/20/92/36/544209236.db2.gz XHJQQHHWTPSCIT-UHFFFAOYSA-N 1 2 301.349 2.740 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000677479922 544496115 /nfs/dbraw/zinc/49/61/15/544496115.db2.gz RFKNARPPUPLPKF-HNNXBMFYSA-N 1 2 318.848 2.829 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000680436332 545007660 /nfs/dbraw/zinc/00/76/60/545007660.db2.gz AMHAEMSOWXWZMY-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000680436332 545007662 /nfs/dbraw/zinc/00/76/62/545007662.db2.gz AMHAEMSOWXWZMY-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO N#Cc1nc(NCCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000302685399 230350148 /nfs/dbraw/zinc/35/01/48/230350148.db2.gz AWLVSRMAGSVKNJ-UHFFFAOYSA-N 1 2 322.328 2.782 20 30 DFEDLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1C#N ZINC000440624481 269769510 /nfs/dbraw/zinc/76/95/10/269769510.db2.gz BDBGZMDYXBGQKP-UHFFFAOYSA-N 1 2 302.403 2.832 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000057880604 425897441 /nfs/dbraw/zinc/89/74/41/425897441.db2.gz OGBRGCNGKZQDKE-ZDUSSCGKSA-N 1 2 301.390 2.648 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C#N)CC1 ZINC000057879018 425897051 /nfs/dbraw/zinc/89/70/51/425897051.db2.gz YWUFUFNJKNACEU-CQSZACIVSA-N 1 2 304.394 2.716 20 30 DFEDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057878535 425897069 /nfs/dbraw/zinc/89/70/69/425897069.db2.gz MEEASDGAIUQIBA-GFCCVEGCSA-N 1 2 303.431 2.971 20 30 DFEDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057878530 425897150 /nfs/dbraw/zinc/89/71/50/425897150.db2.gz MEEASDGAIUQIBA-LBPRGKRZSA-N 1 2 303.431 2.971 20 30 DFEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907305 425897331 /nfs/dbraw/zinc/89/73/31/425897331.db2.gz PZZKMPYQTMVFQZ-UHFFFAOYSA-N 1 2 323.799 2.673 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560991 425904993 /nfs/dbraw/zinc/90/49/93/425904993.db2.gz FYIOFMWNCDUOEW-KRWDZBQOSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560991 425904994 /nfs/dbraw/zinc/90/49/94/425904994.db2.gz FYIOFMWNCDUOEW-KRWDZBQOSA-N 1 2 307.459 2.985 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000066563926 425905148 /nfs/dbraw/zinc/90/51/48/425905148.db2.gz WVJUTMUHNOUTIR-LBPRGKRZSA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000066563926 425905149 /nfs/dbraw/zinc/90/51/49/425905149.db2.gz WVJUTMUHNOUTIR-LBPRGKRZSA-N 1 2 314.414 2.782 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066852914 425907087 /nfs/dbraw/zinc/90/70/87/425907087.db2.gz WPBNGGJTRUAHQQ-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066852914 425907088 /nfs/dbraw/zinc/90/70/88/425907088.db2.gz WPBNGGJTRUAHQQ-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413198446 270000026 /nfs/dbraw/zinc/00/00/26/270000026.db2.gz HFNINPOZFXLEBE-AWEZNQCLSA-N 1 2 323.356 2.861 20 30 DFEDLO N#Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000450257635 270001142 /nfs/dbraw/zinc/00/11/42/270001142.db2.gz MPHAUDATNLTXFC-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO N#Cc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000450378994 270001274 /nfs/dbraw/zinc/00/12/74/270001274.db2.gz NKPJJHJPBXIGHO-AWEZNQCLSA-N 1 2 310.313 2.519 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000534339374 270002969 /nfs/dbraw/zinc/00/29/69/270002969.db2.gz JJZSVLOVCDSCKG-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000534339374 270002970 /nfs/dbraw/zinc/00/29/70/270002970.db2.gz JJZSVLOVCDSCKG-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156286794 425933644 /nfs/dbraw/zinc/93/36/44/425933644.db2.gz BKFCAIURZOLAOM-KRWDZBQOSA-N 1 2 309.413 2.703 20 30 DFEDLO CCC[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000450261627 267016339 /nfs/dbraw/zinc/01/63/39/267016339.db2.gz OSNHERLLFXYEKL-UHFFFAOYSA-N 1 2 309.417 2.972 20 30 DFEDLO CCC[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000450261627 267016341 /nfs/dbraw/zinc/01/63/41/267016341.db2.gz OSNHERLLFXYEKL-UHFFFAOYSA-N 1 2 309.417 2.972 20 30 DFEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1occc1C ZINC000412028376 267054137 /nfs/dbraw/zinc/05/41/37/267054137.db2.gz RVWRGFPZVDNHDX-UHFFFAOYSA-N 1 2 303.387 2.982 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1occc1C ZINC000412028376 267054140 /nfs/dbraw/zinc/05/41/40/267054140.db2.gz RVWRGFPZVDNHDX-UHFFFAOYSA-N 1 2 303.387 2.982 20 30 DFEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1C#N ZINC000343906728 267069647 /nfs/dbraw/zinc/06/96/47/267069647.db2.gz JEJORFAGWYXTEW-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)cc1C#N ZINC000343906728 267069651 /nfs/dbraw/zinc/06/96/51/267069651.db2.gz JEJORFAGWYXTEW-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000348283009 267107924 /nfs/dbraw/zinc/10/79/24/267107924.db2.gz OTDZIXBXPYVDKX-PSASIEDQSA-N 1 2 317.336 2.831 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000348283009 267107927 /nfs/dbraw/zinc/10/79/27/267107927.db2.gz OTDZIXBXPYVDKX-PSASIEDQSA-N 1 2 317.336 2.831 20 30 DFEDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C#N)cc1 ZINC000292803098 267185681 /nfs/dbraw/zinc/18/56/81/267185681.db2.gz BPHVCBGFLDCJDB-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350174213 267201578 /nfs/dbraw/zinc/20/15/78/267201578.db2.gz ACQFQIADLAJGAQ-LBPRGKRZSA-N 1 2 306.325 2.612 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CN1C(C)=O ZINC000472325960 267203355 /nfs/dbraw/zinc/20/33/55/267203355.db2.gz ZEEZRCPNAMXQEW-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CN1C(C)=O ZINC000472325960 267203359 /nfs/dbraw/zinc/20/33/59/267203359.db2.gz ZEEZRCPNAMXQEW-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCc2cc(C#N)ccc21 ZINC000493251158 267256264 /nfs/dbraw/zinc/25/62/64/267256264.db2.gz FGXQJFKOHFZXTE-FPLPWBNLSA-N 1 2 306.369 2.767 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cn1 ZINC000439442509 267294534 /nfs/dbraw/zinc/29/45/34/267294534.db2.gz VALDDJRHQWZSHE-UHFFFAOYSA-N 1 2 315.808 2.700 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cn1 ZINC000439442509 267294536 /nfs/dbraw/zinc/29/45/36/267294536.db2.gz VALDDJRHQWZSHE-UHFFFAOYSA-N 1 2 315.808 2.700 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc(C#N)cc1Cl ZINC000414134004 267304444 /nfs/dbraw/zinc/30/44/44/267304444.db2.gz DJWGCKLFNIZLNP-LBPRGKRZSA-N 1 2 309.822 2.510 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc(C#N)cc1Cl ZINC000414134004 267304449 /nfs/dbraw/zinc/30/44/49/267304449.db2.gz DJWGCKLFNIZLNP-LBPRGKRZSA-N 1 2 309.822 2.510 20 30 DFEDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000412060904 267395521 /nfs/dbraw/zinc/39/55/21/267395521.db2.gz HBLHLWYWTGPFNJ-MRXNPFEDSA-N 1 2 306.793 2.987 20 30 DFEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000412060904 267395526 /nfs/dbraw/zinc/39/55/26/267395526.db2.gz HBLHLWYWTGPFNJ-MRXNPFEDSA-N 1 2 306.793 2.987 20 30 DFEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000006913067 425630936 /nfs/dbraw/zinc/63/09/36/425630936.db2.gz ZQURHPSLJWGRFB-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000006913067 425630939 /nfs/dbraw/zinc/63/09/39/425630939.db2.gz ZQURHPSLJWGRFB-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO C#CCNC(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000026262010 425810428 /nfs/dbraw/zinc/81/04/28/425810428.db2.gz XFSALVBISVFCKM-UHFFFAOYSA-N 1 2 319.364 2.585 20 30 DFEDLO Cc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)cn1 ZINC000425221667 267950298 /nfs/dbraw/zinc/95/02/98/267950298.db2.gz FJTYHAYSDGVELK-INIZCTEOSA-N 1 2 316.355 2.677 20 30 DFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncccc2C#N)cc1 ZINC000029844757 425829771 /nfs/dbraw/zinc/82/97/71/425829771.db2.gz AVIWWTMOMABVCX-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1cc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421558511 267995322 /nfs/dbraw/zinc/99/53/22/267995322.db2.gz MVKDVYLSRWBNPY-AWEZNQCLSA-N 1 2 309.369 2.654 20 30 DFEDLO C[N@H+](CCn1cccn1)Cc1cc(C#N)ccc1Br ZINC000191789346 268015691 /nfs/dbraw/zinc/01/56/91/268015691.db2.gz XFEHOBNUWXIHKX-UHFFFAOYSA-N 1 2 319.206 2.649 20 30 DFEDLO C[N@@H+](CCn1cccn1)Cc1cc(C#N)ccc1Br ZINC000191789346 268015693 /nfs/dbraw/zinc/01/56/93/268015693.db2.gz XFEHOBNUWXIHKX-UHFFFAOYSA-N 1 2 319.206 2.649 20 30 DFEDLO Cc1nc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)ccc1C#N ZINC000519061320 268073737 /nfs/dbraw/zinc/07/37/37/268073737.db2.gz VRCNAKAWEZFTCH-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)o2)sc1Br ZINC000449403042 268077452 /nfs/dbraw/zinc/07/74/52/268077452.db2.gz UULLLDSSSMRFME-UHFFFAOYSA-N 1 2 312.192 2.969 20 30 DFEDLO Cc1noc(C23CC(C2)C[N@@H+]3CCCOc2cccc(C#N)c2)n1 ZINC000528625060 268096964 /nfs/dbraw/zinc/09/69/64/268096964.db2.gz UCJIWUWOASFSHQ-UHFFFAOYSA-N 1 2 324.384 2.640 20 30 DFEDLO Cc1noc(C23CC(C2)C[N@H+]3CCCOc2cccc(C#N)c2)n1 ZINC000528625060 268096967 /nfs/dbraw/zinc/09/69/67/268096967.db2.gz UCJIWUWOASFSHQ-UHFFFAOYSA-N 1 2 324.384 2.640 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1F ZINC000353537420 268148340 /nfs/dbraw/zinc/14/83/40/268148340.db2.gz DOSCRMRQDUIIGC-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000428459605 268163352 /nfs/dbraw/zinc/16/33/52/268163352.db2.gz MURMUAHMYATZMS-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000428459605 268163354 /nfs/dbraw/zinc/16/33/54/268163354.db2.gz MURMUAHMYATZMS-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000428974699 268164820 /nfs/dbraw/zinc/16/48/20/268164820.db2.gz FSTILNYYPJRAAX-ZDUSSCGKSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000428974699 268164822 /nfs/dbraw/zinc/16/48/22/268164822.db2.gz FSTILNYYPJRAAX-ZDUSSCGKSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCC4)o2)cc1 ZINC000270625973 268193986 /nfs/dbraw/zinc/19/39/86/268193986.db2.gz KTLOHTMIEHUELH-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOCC34CCCC4)o2)cc1 ZINC000270625973 268193988 /nfs/dbraw/zinc/19/39/88/268193988.db2.gz KTLOHTMIEHUELH-UHFFFAOYSA-N 1 2 324.384 2.753 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000439442106 268220685 /nfs/dbraw/zinc/22/06/85/268220685.db2.gz ROLFAIFRSGFKIF-UHFFFAOYSA-N 1 2 306.793 2.593 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000439442106 268220688 /nfs/dbraw/zinc/22/06/88/268220688.db2.gz ROLFAIFRSGFKIF-UHFFFAOYSA-N 1 2 306.793 2.593 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000341241655 268241395 /nfs/dbraw/zinc/24/13/95/268241395.db2.gz YMSCPYVYZHXVQZ-UHFFFAOYSA-N 1 2 315.380 2.918 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1F ZINC000340903603 268246822 /nfs/dbraw/zinc/24/68/22/268246822.db2.gz WDRZYAGYDWKCJM-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1F ZINC000340903603 268246823 /nfs/dbraw/zinc/24/68/23/268246823.db2.gz WDRZYAGYDWKCJM-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000491419462 268267482 /nfs/dbraw/zinc/26/74/82/268267482.db2.gz QOWIWOZJLRIFIW-PLNGDYQASA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431505168 268279733 /nfs/dbraw/zinc/27/97/33/268279733.db2.gz ILQBIMZBNCDHFN-UHFFFAOYSA-N 1 2 316.364 2.984 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000459378901 268291300 /nfs/dbraw/zinc/29/13/00/268291300.db2.gz ZQZHPHBTRPKAAM-AWEZNQCLSA-N 1 2 324.340 2.515 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000459378901 268291303 /nfs/dbraw/zinc/29/13/03/268291303.db2.gz ZQZHPHBTRPKAAM-AWEZNQCLSA-N 1 2 324.340 2.515 20 30 DFEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000342915693 268295128 /nfs/dbraw/zinc/29/51/28/268295128.db2.gz GAIRFMDGCCMXFX-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO N#Cc1cncc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000420582070 268315306 /nfs/dbraw/zinc/31/53/06/268315306.db2.gz GWEXUNQOKSUZKU-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cscn1 ZINC000049068852 425878403 /nfs/dbraw/zinc/87/84/03/425878403.db2.gz XQBDJAHZRUOKMX-UHFFFAOYSA-N 1 2 306.416 2.537 20 30 DFEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cscn1 ZINC000049068852 425878404 /nfs/dbraw/zinc/87/84/04/425878404.db2.gz XQBDJAHZRUOKMX-UHFFFAOYSA-N 1 2 306.416 2.537 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)C[C@H](C)C#N ZINC000157619521 425938810 /nfs/dbraw/zinc/93/88/10/425938810.db2.gz VLYULSXPHWSSFD-CQSZACIVSA-N 1 2 319.474 2.848 20 30 DFEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)C[C@H](C)C#N ZINC000157619521 425938814 /nfs/dbraw/zinc/93/88/14/425938814.db2.gz VLYULSXPHWSSFD-CQSZACIVSA-N 1 2 319.474 2.848 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccc(C#N)cc1 ZINC000125608457 425981727 /nfs/dbraw/zinc/98/17/27/425981727.db2.gz CDWHKZSGESFQCY-UHFFFAOYSA-N 1 2 318.380 2.923 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000125944103 425997225 /nfs/dbraw/zinc/99/72/25/425997225.db2.gz ISWNZEPXISBLCZ-UHFFFAOYSA-N 1 2 321.789 2.822 20 30 DFEDLO C=CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000125153824 425956474 /nfs/dbraw/zinc/95/64/74/425956474.db2.gz VQZURZXSTDMZKZ-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000126553907 426025064 /nfs/dbraw/zinc/02/50/64/426025064.db2.gz PSEYCCCIRMOZLK-CQSZACIVSA-N 1 2 308.385 2.802 20 30 DFEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000126553907 426025066 /nfs/dbraw/zinc/02/50/66/426025066.db2.gz PSEYCCCIRMOZLK-CQSZACIVSA-N 1 2 308.385 2.802 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000161772238 426038434 /nfs/dbraw/zinc/03/84/34/426038434.db2.gz LIWODUWCIWDTMR-JQWIXIFHSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000161772238 426038438 /nfs/dbraw/zinc/03/84/38/426038438.db2.gz LIWODUWCIWDTMR-JQWIXIFHSA-N 1 2 317.216 2.967 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111741827 426057143 /nfs/dbraw/zinc/05/71/43/426057143.db2.gz CNCYVUSLHOFKCF-UHFFFAOYSA-N 1 2 309.373 2.932 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000072691930 426019271 /nfs/dbraw/zinc/01/92/71/426019271.db2.gz PBAQSMUEFNFWMS-UHFFFAOYSA-N 1 2 312.417 2.658 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000072691930 426019273 /nfs/dbraw/zinc/01/92/73/426019273.db2.gz PBAQSMUEFNFWMS-UHFFFAOYSA-N 1 2 312.417 2.658 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000072692589 426019661 /nfs/dbraw/zinc/01/96/61/426019661.db2.gz HXOYNNYTEPRFCD-KRWDZBQOSA-N 1 2 306.454 2.693 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000072692589 426019664 /nfs/dbraw/zinc/01/96/64/426019664.db2.gz HXOYNNYTEPRFCD-KRWDZBQOSA-N 1 2 306.454 2.693 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148066 426101755 /nfs/dbraw/zinc/10/17/55/426101755.db2.gz HFSZFGHKDCAXAG-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148066 426101758 /nfs/dbraw/zinc/10/17/58/426101758.db2.gz HFSZFGHKDCAXAG-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000167123247 426131219 /nfs/dbraw/zinc/13/12/19/426131219.db2.gz BMOXZWBSMKDWMK-WBMJQRKESA-N 1 2 311.345 2.750 20 30 DFEDLO C=CCOCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000079664720 426200959 /nfs/dbraw/zinc/20/09/59/426200959.db2.gz DQQQBZJTKQQUJK-UHFFFAOYSA-N 1 2 303.337 2.933 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000116944379 426201659 /nfs/dbraw/zinc/20/16/59/426201659.db2.gz AEARBFZSYHNINQ-HNNXBMFYSA-N 1 2 312.417 2.738 20 30 DFEDLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(C#N)cc1 ZINC000338355288 268662946 /nfs/dbraw/zinc/66/29/46/268662946.db2.gz HPZVBCOWZYBBJN-VIFPVBQESA-N 1 2 310.279 2.897 20 30 DFEDLO N#CC1(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000130314019 426154499 /nfs/dbraw/zinc/15/44/99/426154499.db2.gz REOQJJBJZSTWGG-OAHLLOKOSA-N 1 2 312.417 2.641 20 30 DFEDLO C[N@H+](Cc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531620 426166092 /nfs/dbraw/zinc/16/60/92/426166092.db2.gz BOVVPKKLYMIHOH-INIZCTEOSA-N 1 2 313.788 2.870 20 30 DFEDLO C[N@@H+](Cc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531620 426166094 /nfs/dbraw/zinc/16/60/94/426166094.db2.gz BOVVPKKLYMIHOH-INIZCTEOSA-N 1 2 313.788 2.870 20 30 DFEDLO C=C(Br)CNc1nc(NC)c(Br)c[nH+]1 ZINC000131895490 426167780 /nfs/dbraw/zinc/16/77/80/426167780.db2.gz JJLPAZWBHOZXHA-UHFFFAOYSA-N 1 2 322.004 2.601 20 30 DFEDLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595808 426168589 /nfs/dbraw/zinc/16/85/89/426168589.db2.gz KJALLMIOHOMWGN-ACJLOTCBSA-N 1 2 323.396 2.753 20 30 DFEDLO Cc1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)oc2ccccc12 ZINC000115600622 426170400 /nfs/dbraw/zinc/17/04/00/426170400.db2.gz VITXWTMIIIQMTK-SFHVURJKSA-N 1 2 319.364 2.929 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000133894993 426184830 /nfs/dbraw/zinc/18/48/30/426184830.db2.gz IHHONZZMZXKDAA-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000133894993 426184833 /nfs/dbraw/zinc/18/48/33/426184833.db2.gz IHHONZZMZXKDAA-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000134729003 426193192 /nfs/dbraw/zinc/19/31/92/426193192.db2.gz IRUWTZVDULBFAA-CYBMUJFWSA-N 1 2 320.234 2.995 20 30 DFEDLO N#Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000134729003 426193196 /nfs/dbraw/zinc/19/31/96/426193196.db2.gz IRUWTZVDULBFAA-CYBMUJFWSA-N 1 2 320.234 2.995 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000081578340 426224008 /nfs/dbraw/zinc/22/40/08/426224008.db2.gz BODBRKJGQXIWDR-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000081578340 426224012 /nfs/dbraw/zinc/22/40/12/426224012.db2.gz BODBRKJGQXIWDR-CYBMUJFWSA-N 1 2 304.390 2.599 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000084071978 426231999 /nfs/dbraw/zinc/23/19/99/426231999.db2.gz SFJLOZQMSCGLDG-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000084071978 426232002 /nfs/dbraw/zinc/23/20/02/426232002.db2.gz SFJLOZQMSCGLDG-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2ccccc2C#N)CCC(C)CC1 ZINC000118863195 426250618 /nfs/dbraw/zinc/25/06/18/426250618.db2.gz FHEIKQUHMDBCLC-UHFFFAOYSA-N 1 2 316.401 2.649 20 30 DFEDLO C=CC1CC[NH+](CC(=O)Nc2nnc(CCCC)s2)CC1 ZINC000137329964 426253257 /nfs/dbraw/zinc/25/32/57/426253257.db2.gz UVKVCPLDPKXCNF-UHFFFAOYSA-N 1 2 308.451 2.717 20 30 DFEDLO N#CC1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000151588931 426302467 /nfs/dbraw/zinc/30/24/67/426302467.db2.gz BXDORCZZLRYKMM-AWEZNQCLSA-N 1 2 309.207 2.718 20 30 DFEDLO N#CC1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000151588860 426302938 /nfs/dbraw/zinc/30/29/38/426302938.db2.gz BXDORCZZLRYKMM-CQSZACIVSA-N 1 2 309.207 2.718 20 30 DFEDLO Cc1cccn2c(CN(CCC#N)Cc3ccccn3)c[nH+]c12 ZINC000093100576 426352861 /nfs/dbraw/zinc/35/28/61/426352861.db2.gz WFUOPRNPOICVHB-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000093417039 426356641 /nfs/dbraw/zinc/35/66/41/426356641.db2.gz KKYYUHCGQNTVCR-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000093417039 426356643 /nfs/dbraw/zinc/35/66/43/426356643.db2.gz KKYYUHCGQNTVCR-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1 ZINC000122226943 426364280 /nfs/dbraw/zinc/36/42/80/426364280.db2.gz BXOLFYMZZOPVFA-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1 ZINC000122226943 426364283 /nfs/dbraw/zinc/36/42/83/426364283.db2.gz BXOLFYMZZOPVFA-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000122290181 426368378 /nfs/dbraw/zinc/36/83/78/426368378.db2.gz SGVSTLJVUQEOQB-UHFFFAOYSA-N 1 2 319.361 2.606 20 30 DFEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000122715666 426389221 /nfs/dbraw/zinc/38/92/21/426389221.db2.gz XFOMZVSPBYTJNQ-ZDUSSCGKSA-N 1 2 316.792 2.502 20 30 DFEDLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000122715666 426389224 /nfs/dbraw/zinc/38/92/24/426389224.db2.gz XFOMZVSPBYTJNQ-ZDUSSCGKSA-N 1 2 316.792 2.502 20 30 DFEDLO N#Cc1cccc(COc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000154498640 426442635 /nfs/dbraw/zinc/44/26/35/426442635.db2.gz PYWBXUDABDLVHI-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](CC)C[C@@H](C)C#N ZINC000155284289 426467522 /nfs/dbraw/zinc/46/75/22/426467522.db2.gz XWNPFNKGZCSHQA-JSGCOSHPSA-N 1 2 306.410 2.962 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)C[C@@H](C)C#N ZINC000155284289 426467524 /nfs/dbraw/zinc/46/75/24/426467524.db2.gz XWNPFNKGZCSHQA-JSGCOSHPSA-N 1 2 306.410 2.962 20 30 DFEDLO C#CC[N@H+](Cc1cn2cccnc2n1)[C@@H]1CCc2ccccc21 ZINC000124153816 426472846 /nfs/dbraw/zinc/47/28/46/426472846.db2.gz CWFFEECGHKLNAZ-GOSISDBHSA-N 1 2 302.381 2.852 20 30 DFEDLO C#CC[N@@H+](Cc1cn2cccnc2n1)[C@@H]1CCc2ccccc21 ZINC000124153816 426472847 /nfs/dbraw/zinc/47/28/47/426472847.db2.gz CWFFEECGHKLNAZ-GOSISDBHSA-N 1 2 302.381 2.852 20 30 DFEDLO N#Cc1ccc(NCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000124434186 426484094 /nfs/dbraw/zinc/48/40/94/426484094.db2.gz GJBGFDJQQYCVTG-UHFFFAOYSA-N 1 2 317.352 2.999 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101864043 426486584 /nfs/dbraw/zinc/48/65/84/426486584.db2.gz BLBDBVPVRBVNQS-UHFFFAOYSA-N 1 2 308.385 2.551 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177762911 426516071 /nfs/dbraw/zinc/51/60/71/426516071.db2.gz LKGGCUOOWKHCKH-UHFFFAOYSA-N 1 2 319.368 2.548 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC#N)c2C1 ZINC000194651180 426489840 /nfs/dbraw/zinc/48/98/40/426489840.db2.gz OZBZLXWEQCKWTO-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)CC#N)c2C1 ZINC000194651180 426489842 /nfs/dbraw/zinc/48/98/42/426489842.db2.gz OZBZLXWEQCKWTO-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO Cc1nc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1C#N ZINC000194745222 426491530 /nfs/dbraw/zinc/49/15/30/426491530.db2.gz QAJOJLFFMRXSEC-UHFFFAOYSA-N 1 2 317.352 2.915 20 30 DFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000186251252 426497784 /nfs/dbraw/zinc/49/77/84/426497784.db2.gz XVILGLHFENSZER-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000186296377 426501548 /nfs/dbraw/zinc/50/15/48/426501548.db2.gz HJCCBAZEUXPQNN-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000186296377 426501550 /nfs/dbraw/zinc/50/15/50/426501550.db2.gz HJCCBAZEUXPQNN-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000186315703 426504112 /nfs/dbraw/zinc/50/41/12/426504112.db2.gz KEHOJKNATYKHKD-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000186315703 426504115 /nfs/dbraw/zinc/50/41/15/426504115.db2.gz KEHOJKNATYKHKD-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000264504430 426565768 /nfs/dbraw/zinc/56/57/68/426565768.db2.gz ODBWMWKPDMUDOK-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000273045671 426581504 /nfs/dbraw/zinc/58/15/04/426581504.db2.gz PXFVVMFRULNKGD-QGZVFWFLSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000273045671 426581507 /nfs/dbraw/zinc/58/15/07/426581507.db2.gz PXFVVMFRULNKGD-QGZVFWFLSA-N 1 2 322.412 2.575 20 30 DFEDLO C[NH+](C)[C@@H](CNc1ncccc1C#N)c1c(F)cccc1F ZINC000265285301 426612618 /nfs/dbraw/zinc/61/26/18/426612618.db2.gz WYWIYRVMARVASN-AWEZNQCLSA-N 1 2 302.328 2.946 20 30 DFEDLO Cc1ccc([C@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000265571107 426656248 /nfs/dbraw/zinc/65/62/48/426656248.db2.gz VDJIIURAELUBAO-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1nc(N2CCN(c3ccc(Cl)cc3C#N)CC2)cc[nH+]1 ZINC000273519416 426677753 /nfs/dbraw/zinc/67/77/53/426677753.db2.gz RQYPFXDTSCMUIP-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=C(C)CN(CC)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265736536 426681979 /nfs/dbraw/zinc/68/19/79/426681979.db2.gz DPOFDLVVELJYRY-UHFFFAOYSA-N 1 2 302.418 2.557 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178724373 426683023 /nfs/dbraw/zinc/68/30/23/426683023.db2.gz GMYSUNSUJUBVNT-KRWDZBQOSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000178724373 426683029 /nfs/dbraw/zinc/68/30/29/426683029.db2.gz GMYSUNSUJUBVNT-KRWDZBQOSA-N 1 2 309.369 2.697 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000281144450 426703249 /nfs/dbraw/zinc/70/32/49/426703249.db2.gz ZJRYJNZCQXMWSZ-INIZCTEOSA-N 1 2 316.449 2.631 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000281144450 426703257 /nfs/dbraw/zinc/70/32/57/426703257.db2.gz ZJRYJNZCQXMWSZ-INIZCTEOSA-N 1 2 316.449 2.631 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281206449 426704925 /nfs/dbraw/zinc/70/49/25/426704925.db2.gz CUVSOSLJANWYAC-ZFWWWQNUSA-N 1 2 311.385 2.779 20 30 DFEDLO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1O ZINC000245849681 426776378 /nfs/dbraw/zinc/77/63/78/426776378.db2.gz FTOAVGCQLPHNFM-IBGZPJMESA-N 1 2 321.424 2.911 20 30 DFEDLO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1O ZINC000245849681 426776380 /nfs/dbraw/zinc/77/63/80/426776380.db2.gz FTOAVGCQLPHNFM-IBGZPJMESA-N 1 2 321.424 2.911 20 30 DFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000281675495 426742551 /nfs/dbraw/zinc/74/25/51/426742551.db2.gz QCLRXUDDMNAYOV-CQSZACIVSA-N 1 2 307.191 2.576 20 30 DFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC=C(Br)C2)cc1 ZINC000281675495 426742554 /nfs/dbraw/zinc/74/25/54/426742554.db2.gz QCLRXUDDMNAYOV-CQSZACIVSA-N 1 2 307.191 2.576 20 30 DFEDLO C=CCOCCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281721989 426751903 /nfs/dbraw/zinc/75/19/03/426751903.db2.gz IJFFDNOKHYFEOY-HNNXBMFYSA-N 1 2 305.422 2.939 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000246403507 426830677 /nfs/dbraw/zinc/83/06/77/426830677.db2.gz PLLPHXNGQIPFHL-CRAIPNDOSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000246403507 426830680 /nfs/dbraw/zinc/83/06/80/426830680.db2.gz PLLPHXNGQIPFHL-CRAIPNDOSA-N 1 2 310.401 2.525 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000189326111 426839733 /nfs/dbraw/zinc/83/97/33/426839733.db2.gz BEUKBYAMMBSGOJ-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000189326111 426839738 /nfs/dbraw/zinc/83/97/38/426839738.db2.gz BEUKBYAMMBSGOJ-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO C=CCCCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000274576938 426794493 /nfs/dbraw/zinc/79/44/93/426794493.db2.gz FVRNRDQJSCOHSG-UHFFFAOYSA-N 1 2 318.343 2.943 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247296810 426926454 /nfs/dbraw/zinc/92/64/54/426926454.db2.gz LDFBIUHIGFKOAP-SJORKVTESA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247296810 426926461 /nfs/dbraw/zinc/92/64/61/426926461.db2.gz LDFBIUHIGFKOAP-SJORKVTESA-N 1 2 305.805 2.571 20 30 DFEDLO C=CCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000246813560 426867635 /nfs/dbraw/zinc/86/76/35/426867635.db2.gz KHZCEAWUEHRFOA-ZIAGYGMSSA-N 1 2 308.447 2.592 20 30 DFEDLO C=CCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246813560 426867638 /nfs/dbraw/zinc/86/76/38/426867638.db2.gz KHZCEAWUEHRFOA-ZIAGYGMSSA-N 1 2 308.447 2.592 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1 ZINC000282403836 426903377 /nfs/dbraw/zinc/90/33/77/426903377.db2.gz KGJVVUROOMMNOM-MQBCKMQZSA-N 1 2 311.385 2.692 20 30 DFEDLO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000291610820 426926226 /nfs/dbraw/zinc/92/62/26/426926226.db2.gz JKTLDGQHTCGTIW-GOSISDBHSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000291610820 426926233 /nfs/dbraw/zinc/92/62/33/426926233.db2.gz JKTLDGQHTCGTIW-GOSISDBHSA-N 1 2 322.412 2.575 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000283114007 426955888 /nfs/dbraw/zinc/95/58/88/426955888.db2.gz VULUYPAKSOGGKI-WFASDCNBSA-N 1 2 312.373 2.562 20 30 DFEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000248002979 426969975 /nfs/dbraw/zinc/96/99/75/426969975.db2.gz KNWWGVFGJZDWKH-SJLPKXTDSA-N 1 2 314.433 2.581 20 30 DFEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000248002979 426969984 /nfs/dbraw/zinc/96/99/84/426969984.db2.gz KNWWGVFGJZDWKH-SJLPKXTDSA-N 1 2 314.433 2.581 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H](C)CC ZINC000181652927 426973210 /nfs/dbraw/zinc/97/32/10/426973210.db2.gz KXTGNAXIPGHUAY-CZUORRHYSA-N 1 2 304.390 2.504 20 30 DFEDLO N#Cc1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c(F)c1 ZINC000337815859 426982279 /nfs/dbraw/zinc/98/22/79/426982279.db2.gz QQBLZBZANLTRLH-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)c(F)c1 ZINC000337815859 426982284 /nfs/dbraw/zinc/98/22/84/426982284.db2.gz QQBLZBZANLTRLH-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO Cc1cncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000276092332 426984798 /nfs/dbraw/zinc/98/47/98/426984798.db2.gz YXLQJDFRMXGQAI-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247348606 426930741 /nfs/dbraw/zinc/93/07/41/426930741.db2.gz JTURJEUGYUDWKC-HUUCEWRRSA-N 1 2 322.474 2.935 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247348606 426930747 /nfs/dbraw/zinc/93/07/47/426930747.db2.gz JTURJEUGYUDWKC-HUUCEWRRSA-N 1 2 322.474 2.935 20 30 DFEDLO Cc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c2n[nH]cc21 ZINC000328773723 426995406 /nfs/dbraw/zinc/99/54/06/426995406.db2.gz BPBZBBMSEPXROE-LBPRGKRZSA-N 1 2 324.388 2.640 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000295548028 427002737 /nfs/dbraw/zinc/00/27/37/427002737.db2.gz LMMWCZZPOLAGSX-UHFFFAOYSA-N 1 2 314.364 2.508 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000276191214 427002945 /nfs/dbraw/zinc/00/29/45/427002945.db2.gz XEIQKWKGQFGTAC-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000276191214 427002953 /nfs/dbraw/zinc/00/29/53/427002953.db2.gz XEIQKWKGQFGTAC-JKSUJKDBSA-N 1 2 323.387 2.928 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000328860802 427007194 /nfs/dbraw/zinc/00/71/94/427007194.db2.gz ANRUWUZFJMCHBQ-GFCCVEGCSA-N 1 2 314.389 2.601 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3ccccc3C2)C1 ZINC000328880748 427007660 /nfs/dbraw/zinc/00/76/60/427007660.db2.gz WBEJEMPBPLIMCU-IAGOWNOFSA-N 1 2 324.428 2.681 20 30 DFEDLO O=C(NCCOC1CCCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328901573 427009537 /nfs/dbraw/zinc/00/95/37/427009537.db2.gz ZGFFSSHQMUJNJP-CQSZACIVSA-N 1 2 320.437 2.852 20 30 DFEDLO C[C@@]1(F)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584862 427010634 /nfs/dbraw/zinc/01/06/34/427010634.db2.gz ZTVULOFWNBPEFD-FUHWJXTLSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@@]1(F)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584862 427010640 /nfs/dbraw/zinc/01/06/40/427010640.db2.gz ZTVULOFWNBPEFD-FUHWJXTLSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCC1=O ZINC000328935909 427015253 /nfs/dbraw/zinc/01/52/53/427015253.db2.gz QNXAAPSTKQSDPA-VHSXEESVSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCC1=O ZINC000328935909 427015258 /nfs/dbraw/zinc/01/52/58/427015258.db2.gz QNXAAPSTKQSDPA-VHSXEESVSA-N 1 2 307.419 2.724 20 30 DFEDLO CN1CCOC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000328968495 427019825 /nfs/dbraw/zinc/01/98/25/427019825.db2.gz UDBBWFVVDUUYHK-OAHLLOKOSA-N 1 2 314.389 2.749 20 30 DFEDLO CC1(C)C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000329233898 427071063 /nfs/dbraw/zinc/07/10/63/427071063.db2.gz HIDAPZKLMMOPFT-ZDUSSCGKSA-N 1 2 320.437 2.849 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1CCCCO1 ZINC000329256059 427075619 /nfs/dbraw/zinc/07/56/19/427075619.db2.gz ATJHSBRHZRRECI-WCVJEAGWSA-N 1 2 320.437 2.638 20 30 DFEDLO C[C@@H]([NH+]=C([O-])N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1CCCCO1 ZINC000329256059 427075624 /nfs/dbraw/zinc/07/56/24/427075624.db2.gz ATJHSBRHZRRECI-WCVJEAGWSA-N 1 2 320.437 2.638 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268652061 427080665 /nfs/dbraw/zinc/08/06/65/427080665.db2.gz GROWKANIVHJGJK-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268652061 427080671 /nfs/dbraw/zinc/08/06/71/427080671.db2.gz GROWKANIVHJGJK-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329299511 427085267 /nfs/dbraw/zinc/08/52/67/427085267.db2.gz LZKPOWBKUNKCAU-LBPRGKRZSA-N 1 2 322.434 2.647 20 30 DFEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329299511 427085270 /nfs/dbraw/zinc/08/52/70/427085270.db2.gz LZKPOWBKUNKCAU-LBPRGKRZSA-N 1 2 322.434 2.647 20 30 DFEDLO C[C@@H]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000329318073 427089855 /nfs/dbraw/zinc/08/98/55/427089855.db2.gz IANIRBHMBYPNTG-CPUCHLNUSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000329318073 427089858 /nfs/dbraw/zinc/08/98/58/427089858.db2.gz IANIRBHMBYPNTG-CPUCHLNUSA-N 1 2 324.465 2.790 20 30 DFEDLO O=C(CN1CCn2cc[nH+]c2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329321357 427089888 /nfs/dbraw/zinc/08/98/88/427089888.db2.gz JDASTTVNFMOFQQ-UHFFFAOYSA-N 1 2 314.433 2.624 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000249134500 427091130 /nfs/dbraw/zinc/09/11/30/427091130.db2.gz VFRVRPSOZFUDRJ-IAQYHMDHSA-N 1 2 306.793 2.843 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000249134500 427091135 /nfs/dbraw/zinc/09/11/35/427091135.db2.gz VFRVRPSOZFUDRJ-IAQYHMDHSA-N 1 2 306.793 2.843 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cccc2nsnc21 ZINC000268717068 427099637 /nfs/dbraw/zinc/09/96/37/427099637.db2.gz MXAPUUOPEDFQSQ-SNVBAGLBSA-N 1 2 308.407 2.541 20 30 DFEDLO CCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292145830 427106643 /nfs/dbraw/zinc/10/66/43/427106643.db2.gz JVELZAYSCDLVPU-AWEZNQCLSA-N 1 2 314.414 2.625 20 30 DFEDLO CCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292145830 427106650 /nfs/dbraw/zinc/10/66/50/427106650.db2.gz JVELZAYSCDLVPU-AWEZNQCLSA-N 1 2 314.414 2.625 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CCC1 ZINC000329428878 427113452 /nfs/dbraw/zinc/11/34/52/427113452.db2.gz HDTYRQHKRWHCPY-GOSISDBHSA-N 1 2 311.385 2.521 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CCC1 ZINC000329428878 427113455 /nfs/dbraw/zinc/11/34/55/427113455.db2.gz HDTYRQHKRWHCPY-GOSISDBHSA-N 1 2 311.385 2.521 20 30 DFEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc2ccccc12 ZINC000338054850 427118349 /nfs/dbraw/zinc/11/83/49/427118349.db2.gz OFFGRKLAPHCUFM-HNNXBMFYSA-N 1 2 315.380 3.192 20 30 DFEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329508141 427131294 /nfs/dbraw/zinc/13/12/94/427131294.db2.gz LXRRWPHIFNZZNB-DJIMGWMZSA-N 1 2 324.465 2.647 20 30 DFEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329508141 427131303 /nfs/dbraw/zinc/13/13/03/427131303.db2.gz LXRRWPHIFNZZNB-DJIMGWMZSA-N 1 2 324.465 2.647 20 30 DFEDLO CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329540665 427136908 /nfs/dbraw/zinc/13/69/08/427136908.db2.gz CZWKOCBNCWIOLO-OLZOCXBDSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329540665 427136917 /nfs/dbraw/zinc/13/69/17/427136917.db2.gz CZWKOCBNCWIOLO-OLZOCXBDSA-N 1 2 304.438 2.939 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249804681 427146405 /nfs/dbraw/zinc/14/64/05/427146405.db2.gz AYBHXYQPSBHMNV-KBPBESRZSA-N 1 2 320.462 2.678 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000249804681 427146411 /nfs/dbraw/zinc/14/64/11/427146411.db2.gz AYBHXYQPSBHMNV-KBPBESRZSA-N 1 2 320.462 2.678 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n[nH]1 ZINC000190691363 427164804 /nfs/dbraw/zinc/16/48/04/427164804.db2.gz NNRSWCFXRFUPGT-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CC#CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000277332654 427168280 /nfs/dbraw/zinc/16/82/80/427168280.db2.gz GNIVFCGAFKVXRM-CQSZACIVSA-N 1 2 308.784 2.756 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@H+](C)CC2 ZINC000269315345 427168842 /nfs/dbraw/zinc/16/88/42/427168842.db2.gz FJQZGFNCMAKLTD-UHFFFAOYSA-N 1 2 321.428 2.753 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000269315345 427168847 /nfs/dbraw/zinc/16/88/47/427168847.db2.gz FJQZGFNCMAKLTD-UHFFFAOYSA-N 1 2 321.428 2.753 20 30 DFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(F)c1 ZINC000190737780 427169523 /nfs/dbraw/zinc/16/95/23/427169523.db2.gz IKGGQGJHPGAQLN-KRWDZBQOSA-N 1 2 323.375 2.649 20 30 DFEDLO Cc1cccn2cc(CNC(=O)c3cccc(C#N)c3C)[nH+]c12 ZINC000338171297 427169875 /nfs/dbraw/zinc/16/98/75/427169875.db2.gz ADPYTDAUKUIVNJ-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO Cc1c(C#N)c(N[C@H](C)C[NH+]2CCOCC2)nc2ccccc12 ZINC000296485652 427194792 /nfs/dbraw/zinc/19/47/92/427194792.db2.gz KTUWBMIEKHHHRC-CYBMUJFWSA-N 1 2 310.401 2.548 20 30 DFEDLO C#CCC(CC#C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000277468365 427212455 /nfs/dbraw/zinc/21/24/55/427212455.db2.gz PKZOFIUHSMBQSX-UHFFFAOYSA-N 1 2 307.397 2.514 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccon3)CC2)c(F)c1 ZINC000285443899 427232789 /nfs/dbraw/zinc/23/27/89/427232789.db2.gz IIGNFVDKJLVIHI-UHFFFAOYSA-N 1 2 301.321 2.729 20 30 DFEDLO C#CCCCc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000277583702 427252157 /nfs/dbraw/zinc/25/21/57/427252157.db2.gz ORGNTALOCLQNIO-MRXNPFEDSA-N 1 2 311.385 2.599 20 30 DFEDLO C#CCCCc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000277583702 427252162 /nfs/dbraw/zinc/25/21/62/427252162.db2.gz ORGNTALOCLQNIO-MRXNPFEDSA-N 1 2 311.385 2.599 20 30 DFEDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000338351845 427274055 /nfs/dbraw/zinc/27/40/55/427274055.db2.gz CPERAEXKNMDGOU-VXGBXAGGSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@@H]1CC[C@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330934274 427317869 /nfs/dbraw/zinc/31/78/69/427317869.db2.gz HVYMQHXNIGMXDW-MNOVXSKESA-N 1 2 318.343 2.980 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)n1 ZINC000285724075 427320428 /nfs/dbraw/zinc/32/04/28/427320428.db2.gz QIVMNSWJVAXXNB-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)n1 ZINC000285724075 427320431 /nfs/dbraw/zinc/32/04/31/427320431.db2.gz QIVMNSWJVAXXNB-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(OC(F)F)nc3)n2c1 ZINC000338474490 427339030 /nfs/dbraw/zinc/33/90/30/427339030.db2.gz IUVOWUZSBDOEPW-UHFFFAOYSA-N 1 2 315.283 2.814 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000331106841 427344877 /nfs/dbraw/zinc/34/48/77/427344877.db2.gz ABLMNVDKCBCKQV-CYBMUJFWSA-N 1 2 304.438 2.697 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000331106841 427344882 /nfs/dbraw/zinc/34/48/82/427344882.db2.gz ABLMNVDKCBCKQV-CYBMUJFWSA-N 1 2 304.438 2.697 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277704470 427292068 /nfs/dbraw/zinc/29/20/68/427292068.db2.gz HYAWGOKALRHKNK-RISCZKNCSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277704470 427292071 /nfs/dbraw/zinc/29/20/71/427292071.db2.gz HYAWGOKALRHKNK-RISCZKNCSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1c(Cl)nsc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269874882 427296377 /nfs/dbraw/zinc/29/63/77/427296377.db2.gz OWSQKJDLPDVAOC-VIFPVBQESA-N 1 2 305.794 2.754 20 30 DFEDLO C[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331225135 427375021 /nfs/dbraw/zinc/37/50/21/427375021.db2.gz MLSYOKABDUKINR-ZJUUUORDSA-N 1 2 304.316 2.638 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260244 427385951 /nfs/dbraw/zinc/38/59/51/427385951.db2.gz APSNQTANBXHTLE-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260244 427385954 /nfs/dbraw/zinc/38/59/54/427385954.db2.gz APSNQTANBXHTLE-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CCOC(=O)C1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331325608 427400253 /nfs/dbraw/zinc/40/02/53/427400253.db2.gz MORDSTVHCYDKOI-UHFFFAOYSA-N 1 2 319.405 2.827 20 30 DFEDLO CCSc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccn1 ZINC000331346331 427403171 /nfs/dbraw/zinc/40/31/71/427403171.db2.gz LYAPQYWVKJWOMF-UHFFFAOYSA-N 1 2 323.462 2.609 20 30 DFEDLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455431 427415311 /nfs/dbraw/zinc/41/53/11/427415311.db2.gz AJYFCCUVIUCGCK-RDTXWAMCSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455431 427415314 /nfs/dbraw/zinc/41/53/14/427415314.db2.gz AJYFCCUVIUCGCK-RDTXWAMCSA-N 1 2 308.385 2.791 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000338884659 427537143 /nfs/dbraw/zinc/53/71/43/427537143.db2.gz YMBXOESNKZODLQ-DOMZBBRYSA-N 1 2 312.373 2.562 20 30 DFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCOCCC#N)CC1 ZINC000338896076 427546114 /nfs/dbraw/zinc/54/61/14/427546114.db2.gz VAEUVZXJELGGMZ-OAHLLOKOSA-N 1 2 321.852 2.949 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000279074350 427551170 /nfs/dbraw/zinc/55/11/70/427551170.db2.gz KTHUEHZBQOWQMR-NSHDSACASA-N 1 2 308.451 2.526 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263726198 427551427 /nfs/dbraw/zinc/55/14/27/427551427.db2.gz PDLDIHSDZYIGPW-UHFFFAOYSA-N 1 2 302.381 2.752 20 30 DFEDLO O=C(CCc1[nH]cc[nH+]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000279162992 427581200 /nfs/dbraw/zinc/58/12/00/427581200.db2.gz IMDUTXRTESCBKO-UHFFFAOYSA-N 1 2 321.302 2.529 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc1 ZINC000338957448 427589710 /nfs/dbraw/zinc/58/97/10/427589710.db2.gz PAMCHLAVRPEJPD-UHFFFAOYSA-N 1 2 306.413 2.838 20 30 DFEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(C#N)cs1 ZINC000338958632 427592182 /nfs/dbraw/zinc/59/21/82/427592182.db2.gz UVIDMZLFZKSALD-UHFFFAOYSA-N 1 2 319.455 2.820 20 30 DFEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(C#N)cs1 ZINC000338958632 427592191 /nfs/dbraw/zinc/59/21/91/427592191.db2.gz UVIDMZLFZKSALD-UHFFFAOYSA-N 1 2 319.455 2.820 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298395377 427593918 /nfs/dbraw/zinc/59/39/18/427593918.db2.gz WHQADCWEHHGKJD-OFQRWUPVSA-N 1 2 320.339 2.749 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298395377 427593923 /nfs/dbraw/zinc/59/39/23/427593923.db2.gz WHQADCWEHHGKJD-OFQRWUPVSA-N 1 2 320.339 2.749 20 30 DFEDLO CCCc1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344068982 272255811 /nfs/dbraw/zinc/25/58/11/272255811.db2.gz KPAWTXCSAMWXIE-UHFFFAOYSA-N 1 2 314.389 2.542 20 30 DFEDLO CCCc1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344068982 272255812 /nfs/dbraw/zinc/25/58/12/272255812.db2.gz KPAWTXCSAMWXIE-UHFFFAOYSA-N 1 2 314.389 2.542 20 30 DFEDLO N#Cc1cc2c(nc1NCCc1cn3ccccc3[nH+]1)CCC2 ZINC000298739113 427692391 /nfs/dbraw/zinc/69/23/91/427692391.db2.gz WYWFAXRMJMXVBA-UHFFFAOYSA-N 1 2 303.369 2.744 20 30 DFEDLO C=CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279631395 427715750 /nfs/dbraw/zinc/71/57/50/427715750.db2.gz USCZEDQIRAABIL-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279631395 427715752 /nfs/dbraw/zinc/71/57/52/427715752.db2.gz USCZEDQIRAABIL-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO Cn1c2ccc(NC(=O)c3cc(C#N)ccn3)cc2[nH+]c1C1CC1 ZINC000339341625 427757212 /nfs/dbraw/zinc/75/72/12/427757212.db2.gz CYEJJYPGQQROJO-UHFFFAOYSA-N 1 2 317.352 2.970 20 30 DFEDLO C=CCCO[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000299298056 427764965 /nfs/dbraw/zinc/76/49/65/427764965.db2.gz NABSOJNJVDVYBZ-GFCCVEGCSA-N 1 2 303.337 2.931 20 30 DFEDLO CC(C)C[C@H](CNc1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000301108648 427776051 /nfs/dbraw/zinc/77/60/51/427776051.db2.gz QQADQHCKSYOINK-CQSZACIVSA-N 1 2 323.387 2.995 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339238414 427737359 /nfs/dbraw/zinc/73/73/59/427737359.db2.gz WDFIAOAJWYTIGJ-DLBZAZTESA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339238414 427737361 /nfs/dbraw/zinc/73/73/61/427737361.db2.gz WDFIAOAJWYTIGJ-DLBZAZTESA-N 1 2 315.417 2.581 20 30 DFEDLO Cc1cc(N2CC(Oc3ccc(C#N)cc3)C2)nc(C2CC2)[nH+]1 ZINC000186028828 427740829 /nfs/dbraw/zinc/74/08/29/427740829.db2.gz VJVDKJLQICVBED-UHFFFAOYSA-N 1 2 306.369 2.802 20 30 DFEDLO CNc1[nH+]cnc2c1cnn2Cc1ccccc1C(C)(C)C#N ZINC000194419778 427741026 /nfs/dbraw/zinc/74/10/26/427741026.db2.gz HYJKXTOSTPBKRW-UHFFFAOYSA-N 1 2 306.373 2.717 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)CC#N)Cc1ccccc1Cl ZINC000339272934 427747802 /nfs/dbraw/zinc/74/78/02/427747802.db2.gz DUFFXROTLMKWJB-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)CC#N)Cc1ccccc1Cl ZINC000339272934 427747805 /nfs/dbraw/zinc/74/78/05/427747805.db2.gz DUFFXROTLMKWJB-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)c(Cl)c3)CC2)S1 ZINC000301564512 427805592 /nfs/dbraw/zinc/80/55/92/427805592.db2.gz JGNAFHHNLGUBIQ-LLVKDONJSA-N 1 2 320.849 2.825 20 30 DFEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)c(Cl)c3)CC2)S1 ZINC000301564514 427805640 /nfs/dbraw/zinc/80/56/40/427805640.db2.gz JGNAFHHNLGUBIQ-NSHDSACASA-N 1 2 320.849 2.825 20 30 DFEDLO COc1ccccc1[C@@H](Nc1ccc(C#N)nc1)c1[nH+]ccn1C ZINC000301607364 427809474 /nfs/dbraw/zinc/80/94/74/427809474.db2.gz ZEFXKJYGPVMXFV-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000301618346 427810127 /nfs/dbraw/zinc/81/01/27/427810127.db2.gz CXJNMGIDKYQLAY-UHFFFAOYSA-N 1 2 322.328 2.632 20 30 DFEDLO Cc1cn2cc(NC(=O)c3cc(C#N)cc(N(C)C)c3)ccc2[nH+]1 ZINC000339691988 427812923 /nfs/dbraw/zinc/81/29/23/427812923.db2.gz UJZVUPNMLBORAF-UHFFFAOYSA-N 1 2 319.368 2.833 20 30 DFEDLO N#Cc1cc(F)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301658836 427813541 /nfs/dbraw/zinc/81/35/41/427813541.db2.gz WLBDXLQAMQGJQJ-ZDUSSCGKSA-N 1 2 301.296 2.889 20 30 DFEDLO Cc1ccoc1C(=O)NCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000301676628 427815058 /nfs/dbraw/zinc/81/50/58/427815058.db2.gz QGTLOMOWXVRBIE-UHFFFAOYSA-N 1 2 312.373 2.704 20 30 DFEDLO Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301688804 427815899 /nfs/dbraw/zinc/81/58/99/427815899.db2.gz VSAHCMZSMJMKDP-UHFFFAOYSA-N 1 2 320.396 2.533 20 30 DFEDLO CCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301767788 427822762 /nfs/dbraw/zinc/82/27/62/427822762.db2.gz HZWRQUWLRZTXDF-HNNXBMFYSA-N 1 2 314.433 2.703 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1C ZINC000355676987 427844150 /nfs/dbraw/zinc/84/41/50/427844150.db2.gz XVITZSMEINWMDX-SFHVURJKSA-N 1 2 308.381 2.913 20 30 DFEDLO CC1CCN(c2ccc(CNc3ccc(C#N)nn3)c[nH+]2)CC1 ZINC000301943333 427844096 /nfs/dbraw/zinc/84/40/96/427844096.db2.gz WBJPPLAUNJWCGA-UHFFFAOYSA-N 1 2 308.389 2.592 20 30 DFEDLO N#Cc1cc2c(nc1N[C@H]1CCN(c3cccc[nH+]3)C1)CCCC2 ZINC000301944665 427844111 /nfs/dbraw/zinc/84/41/11/427844111.db2.gz WWAUGMUBKOVFGP-INIZCTEOSA-N 1 2 319.412 2.918 20 30 DFEDLO COc1cc(C#N)cc(Br)c1OCc1c[nH+]cn1C ZINC000359442055 427851475 /nfs/dbraw/zinc/85/14/75/427851475.db2.gz VGKKVFJAJHHYHG-UHFFFAOYSA-N 1 2 322.162 2.642 20 30 DFEDLO N#Cc1cc(NCCCNc2cccc[nH+]2)nc2ccccc12 ZINC000359440663 427852080 /nfs/dbraw/zinc/85/20/80/427852080.db2.gz SAYYAZOOUCIHMD-UHFFFAOYSA-N 1 2 303.369 3.416 20 30 DFEDLO N#Cc1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000345710333 427870380 /nfs/dbraw/zinc/87/03/80/427870380.db2.gz DAUJQNLLGWFVQG-ZDUSSCGKSA-N 1 2 300.749 2.659 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000340517203 427872916 /nfs/dbraw/zinc/87/29/16/427872916.db2.gz DMCFBVARKBAZLS-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C=CCCOCCCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349857267 427880137 /nfs/dbraw/zinc/88/01/37/427880137.db2.gz XSUOAIYACAPGEN-HNNXBMFYSA-N 1 2 323.437 2.767 20 30 DFEDLO C=CCCOCCCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349857267 427880142 /nfs/dbraw/zinc/88/01/42/427880142.db2.gz XSUOAIYACAPGEN-HNNXBMFYSA-N 1 2 323.437 2.767 20 30 DFEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359530943 427893424 /nfs/dbraw/zinc/89/34/24/427893424.db2.gz NZGXPENCQRJREN-HNNXBMFYSA-N 1 2 318.323 2.668 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416649 427897593 /nfs/dbraw/zinc/89/75/93/427897593.db2.gz RQXJUJUXTMDISM-GUYCJALGSA-N 1 2 308.372 2.695 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416649 427897598 /nfs/dbraw/zinc/89/75/98/427897598.db2.gz RQXJUJUXTMDISM-GUYCJALGSA-N 1 2 308.372 2.695 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCN1CC(F)F ZINC000341127280 427996404 /nfs/dbraw/zinc/99/64/04/427996404.db2.gz NXSXBTKKPYEKMJ-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCN1CC(F)F ZINC000341127280 427996411 /nfs/dbraw/zinc/99/64/11/427996411.db2.gz NXSXBTKKPYEKMJ-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO CCCCCCCC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000369646293 428025849 /nfs/dbraw/zinc/02/58/49/428025849.db2.gz GRRWQRMPEMDCHH-OAHLLOKOSA-N 1 2 306.454 2.596 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000356107916 428026034 /nfs/dbraw/zinc/02/60/34/428026034.db2.gz FFLZPHXVEBRPLD-MRXNPFEDSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000356107916 428026038 /nfs/dbraw/zinc/02/60/38/428026038.db2.gz FFLZPHXVEBRPLD-MRXNPFEDSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)n1 ZINC000356126360 428032305 /nfs/dbraw/zinc/03/23/05/428032305.db2.gz UMMLWUNNZYQXFU-INIZCTEOSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)n1 ZINC000356126360 428032307 /nfs/dbraw/zinc/03/23/07/428032307.db2.gz UMMLWUNNZYQXFU-INIZCTEOSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000359848502 428043776 /nfs/dbraw/zinc/04/37/76/428043776.db2.gz CAMJVFCYEHKLBG-KRWDZBQOSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)Cn1cc[nH+]c1 ZINC000356151785 428044390 /nfs/dbraw/zinc/04/43/90/428044390.db2.gz XRPGUWHIEZUFPH-DOTOQJQBSA-N 1 2 310.401 2.723 20 30 DFEDLO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000369716129 428044895 /nfs/dbraw/zinc/04/48/95/428044895.db2.gz ZXBWJKCIDZHOBT-WMLDXEAASA-N 1 2 308.385 2.787 20 30 DFEDLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359850824 428046385 /nfs/dbraw/zinc/04/63/85/428046385.db2.gz SIKZGMJVCHYXOX-GFCCVEGCSA-N 1 2 319.368 2.900 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(NC2CC2)[nH+]cn1 ZINC000413280164 428009384 /nfs/dbraw/zinc/00/93/84/428009384.db2.gz KANYJICYGMZWRY-UHFFFAOYSA-N 1 2 314.389 2.719 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(NC2CC2)nc[nH+]1 ZINC000413280164 428009393 /nfs/dbraw/zinc/00/93/93/428009393.db2.gz KANYJICYGMZWRY-UHFFFAOYSA-N 1 2 314.389 2.719 20 30 DFEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000341213696 428014891 /nfs/dbraw/zinc/01/48/91/428014891.db2.gz NOMXOWOCBZUPHB-GFCCVEGCSA-N 1 2 306.325 2.828 20 30 DFEDLO C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000359916830 428075611 /nfs/dbraw/zinc/07/56/11/428075611.db2.gz JRVPIYNPGQXLSG-CYBMUJFWSA-N 1 2 304.353 2.626 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413572448 428083659 /nfs/dbraw/zinc/08/36/59/428083659.db2.gz IJEJCFKVKLUTIH-GOEBONIOSA-N 1 2 312.417 2.869 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413572448 428083666 /nfs/dbraw/zinc/08/36/66/428083666.db2.gz IJEJCFKVKLUTIH-GOEBONIOSA-N 1 2 312.417 2.869 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1[nH+]ccn1CC ZINC000413589278 428087723 /nfs/dbraw/zinc/08/77/23/428087723.db2.gz PDDRFTYQFJSFHD-INIZCTEOSA-N 1 2 312.417 2.890 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000352371263 428133786 /nfs/dbraw/zinc/13/37/86/428133786.db2.gz HTWZTTGPWVZPKW-INIZCTEOSA-N 1 2 306.793 2.593 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000352371263 428133789 /nfs/dbraw/zinc/13/37/89/428133789.db2.gz HTWZTTGPWVZPKW-INIZCTEOSA-N 1 2 306.793 2.593 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000360084636 428153425 /nfs/dbraw/zinc/15/34/25/428153425.db2.gz UKKFNUWFLBJGNS-ZIAGYGMSSA-N 1 2 316.405 2.541 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cn2ccc(Br)cc2n1 ZINC000356402968 428164980 /nfs/dbraw/zinc/16/49/80/428164980.db2.gz ZSDGIEDUXHGBQY-UHFFFAOYSA-N 1 2 324.222 2.731 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cn2ccc(Br)cc2n1 ZINC000356402968 428164987 /nfs/dbraw/zinc/16/49/87/428164987.db2.gz ZSDGIEDUXHGBQY-UHFFFAOYSA-N 1 2 324.222 2.731 20 30 DFEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000356412857 428166878 /nfs/dbraw/zinc/16/68/78/428166878.db2.gz AITQIWKATJWNQG-INIZCTEOSA-N 1 2 313.426 2.788 20 30 DFEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000356412857 428166882 /nfs/dbraw/zinc/16/68/82/428166882.db2.gz AITQIWKATJWNQG-INIZCTEOSA-N 1 2 313.426 2.788 20 30 DFEDLO COc1c(O)cccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000352609353 428168010 /nfs/dbraw/zinc/16/80/10/428168010.db2.gz SUTQLDNLMKYXQV-SFHVURJKSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1c(O)cccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000352609353 428168013 /nfs/dbraw/zinc/16/80/13/428168013.db2.gz SUTQLDNLMKYXQV-SFHVURJKSA-N 1 2 324.380 2.846 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)c(OC(F)F)c1 ZINC000346473754 428186055 /nfs/dbraw/zinc/18/60/55/428186055.db2.gz CGSZJJHHKKYCTK-UHFFFAOYSA-N 1 2 308.328 2.915 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)c(OC(F)F)c1 ZINC000346473754 428186058 /nfs/dbraw/zinc/18/60/58/428186058.db2.gz CGSZJJHHKKYCTK-UHFFFAOYSA-N 1 2 308.328 2.915 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000360223594 428210357 /nfs/dbraw/zinc/21/03/57/428210357.db2.gz XRJUDHYTKXPFDW-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000360223594 428210363 /nfs/dbraw/zinc/21/03/63/428210363.db2.gz XRJUDHYTKXPFDW-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000377730061 428211030 /nfs/dbraw/zinc/21/10/30/428211030.db2.gz ZZBDDWRGBOBOIP-UXIGCNINSA-N 1 2 301.390 2.970 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000377730061 428211036 /nfs/dbraw/zinc/21/10/36/428211036.db2.gz ZZBDDWRGBOBOIP-UXIGCNINSA-N 1 2 301.390 2.970 20 30 DFEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000341969143 428263647 /nfs/dbraw/zinc/26/36/47/428263647.db2.gz BHZDATSIUFTVRI-LBPRGKRZSA-N 1 2 306.410 2.680 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc([S@](C)=O)cc1 ZINC000352826273 428264694 /nfs/dbraw/zinc/26/46/94/428264694.db2.gz DHZRSUAONZSPIH-SBKAZYGRSA-N 1 2 305.428 2.603 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000360376325 428274085 /nfs/dbraw/zinc/27/40/85/428274085.db2.gz MALFNJOJKZLVKG-YOEHRIQHSA-N 1 2 322.412 2.861 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000360376323 428275316 /nfs/dbraw/zinc/27/53/16/428275316.db2.gz MALFNJOJKZLVKG-RHSMWYFYSA-N 1 2 322.412 2.861 20 30 DFEDLO C[C@H]([NH2+]Cc1cnnn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370568424 428242260 /nfs/dbraw/zinc/24/22/60/428242260.db2.gz IQQRONKVEHVNDB-NSHDSACASA-N 1 2 324.413 2.661 20 30 DFEDLO N#CCCCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000360338999 428258121 /nfs/dbraw/zinc/25/81/21/428258121.db2.gz ZEPIGCORSNNLGU-UHFFFAOYSA-N 1 2 310.401 2.826 20 30 DFEDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2nc(C#N)cs2)n1 ZINC000352810850 428260940 /nfs/dbraw/zinc/26/09/40/428260940.db2.gz OTANRBFOUDBBBE-UHFFFAOYSA-N 1 2 302.403 2.877 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](CF)C2)ccc1OC ZINC000414474661 428311590 /nfs/dbraw/zinc/31/15/90/428311590.db2.gz YOJPJNCEIVHVSU-OAHLLOKOSA-N 1 2 309.381 2.820 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](CF)C2)ccc1OC ZINC000414474661 428311594 /nfs/dbraw/zinc/31/15/94/428311594.db2.gz YOJPJNCEIVHVSU-OAHLLOKOSA-N 1 2 309.381 2.820 20 30 DFEDLO N#Cc1cccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000378443324 428398773 /nfs/dbraw/zinc/39/87/73/428398773.db2.gz MKSGTMPBUOIVEB-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000353142603 428404043 /nfs/dbraw/zinc/40/40/43/428404043.db2.gz GKGSWRLFUODRGF-UHFFFAOYSA-N 1 2 307.390 2.643 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)C(C)(C)C(=O)OC)cc1OC ZINC000353142603 428404050 /nfs/dbraw/zinc/40/40/50/428404050.db2.gz GKGSWRLFUODRGF-UHFFFAOYSA-N 1 2 307.390 2.643 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715323 428412357 /nfs/dbraw/zinc/41/23/57/428412357.db2.gz NEEYBVOQPYMNGC-KGLIPLIRSA-N 1 2 323.437 2.813 20 30 DFEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715323 428412363 /nfs/dbraw/zinc/41/23/63/428412363.db2.gz NEEYBVOQPYMNGC-KGLIPLIRSA-N 1 2 323.437 2.813 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715324 428413531 /nfs/dbraw/zinc/41/35/31/428413531.db2.gz NEEYBVOQPYMNGC-UONOGXRCSA-N 1 2 323.437 2.813 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715324 428413536 /nfs/dbraw/zinc/41/35/36/428413536.db2.gz NEEYBVOQPYMNGC-UONOGXRCSA-N 1 2 323.437 2.813 20 30 DFEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342588983 428434185 /nfs/dbraw/zinc/43/41/85/428434185.db2.gz QTSYUFDVPSIUTQ-UHFFFAOYSA-N 1 2 320.433 2.687 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C#N)ccc1Cl ZINC000353232595 428440548 /nfs/dbraw/zinc/44/05/48/428440548.db2.gz SUUSRGDZHHAENE-UHFFFAOYSA-N 1 2 316.792 2.994 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1c(F)cncc1F ZINC000353231912 428442465 /nfs/dbraw/zinc/44/24/65/428442465.db2.gz OAIWXULXDKICNA-MRVPVSSYSA-N 1 2 322.340 2.582 20 30 DFEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347106348 428447986 /nfs/dbraw/zinc/44/79/86/428447986.db2.gz LPLXUQCSUHCXBK-SMDDNHRTSA-N 1 2 323.799 2.719 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342761828 428448507 /nfs/dbraw/zinc/44/85/07/428448507.db2.gz TXNQGPDBJCADJZ-UHFFFAOYSA-N 1 2 324.428 2.675 20 30 DFEDLO C=C(C)COCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342798369 428457599 /nfs/dbraw/zinc/45/75/99/428457599.db2.gz VDXHJAJRROIVPB-KRWDZBQOSA-N 1 2 303.381 2.831 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(CC#N)c1)CCC2 ZINC000372252101 428425685 /nfs/dbraw/zinc/42/56/85/428425685.db2.gz QJMOAZXOEFULOY-INIZCTEOSA-N 1 2 308.385 2.565 20 30 DFEDLO C=CCCOCCCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347184780 428485302 /nfs/dbraw/zinc/48/53/02/428485302.db2.gz YPSXYDRMJNQLKR-UHFFFAOYSA-N 1 2 319.449 2.941 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000353368818 428506466 /nfs/dbraw/zinc/50/64/66/428506466.db2.gz HMUMITTVSABCCE-SFHVURJKSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000353368818 428506468 /nfs/dbraw/zinc/50/64/68/428506468.db2.gz HMUMITTVSABCCE-SFHVURJKSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000343016182 428506565 /nfs/dbraw/zinc/50/65/65/428506565.db2.gz ZUTSVUCBTBDAHU-LLVKDONJSA-N 1 2 318.343 2.989 20 30 DFEDLO CC1(CO)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000347247599 428509635 /nfs/dbraw/zinc/50/96/35/428509635.db2.gz LCEYYJWKEVVNRE-UHFFFAOYSA-N 1 2 323.234 2.915 20 30 DFEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017832 428512078 /nfs/dbraw/zinc/51/20/78/428512078.db2.gz GPJOUPWKPBDIAS-OYHNWAKOSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017832 428512084 /nfs/dbraw/zinc/51/20/84/428512084.db2.gz GPJOUPWKPBDIAS-OYHNWAKOSA-N 1 2 320.458 2.712 20 30 DFEDLO N#C[C@@]1(C(=O)Nc2cccc3[nH+]ccn32)CCc2ccccc2C1 ZINC000373185444 428521387 /nfs/dbraw/zinc/52/13/87/428521387.db2.gz IRGXIGFONGUNFW-LJQANCHMSA-N 1 2 316.364 2.972 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(N3CCn4cc[nH+]c4C3)c2c1 ZINC000360974233 428522095 /nfs/dbraw/zinc/52/20/95/428522095.db2.gz HVCWMNVZOZWPIE-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000360974905 428522582 /nfs/dbraw/zinc/52/25/82/428522582.db2.gz RBXGAYRBMKWVSF-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cccnc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000357305826 428476251 /nfs/dbraw/zinc/47/62/51/428476251.db2.gz AALNUFQBZUSJBC-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cccn2cc(CNC(=O)CCc3ccc(C#N)cc3)[nH+]c12 ZINC000347514783 428592187 /nfs/dbraw/zinc/59/21/87/428592187.db2.gz OUOXYOMIWPIPMG-UHFFFAOYSA-N 1 2 318.380 2.763 20 30 DFEDLO Cc1ccncc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000353442425 428537283 /nfs/dbraw/zinc/53/72/83/428537283.db2.gz VTDXUTMTPUPCSY-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CCCCC)s1)C1CC1 ZINC000357550025 428545962 /nfs/dbraw/zinc/54/59/62/428545962.db2.gz GMUIRUXGYADSOB-UHFFFAOYSA-N 1 2 308.451 2.860 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nnc(CCCCC)s1)C1CC1 ZINC000357550025 428545967 /nfs/dbraw/zinc/54/59/67/428545967.db2.gz GMUIRUXGYADSOB-UHFFFAOYSA-N 1 2 308.451 2.860 20 30 DFEDLO CC[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1[nH]cc[nH+]1 ZINC000357686573 428555118 /nfs/dbraw/zinc/55/51/18/428555118.db2.gz TZVUUKASGCIFBB-ZDUSSCGKSA-N 1 2 322.328 3.301 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347351910 428561615 /nfs/dbraw/zinc/56/16/15/428561615.db2.gz NMIBNZUNISMQHI-OGOZQZCJSA-N 1 2 309.429 2.740 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347351910 428561619 /nfs/dbraw/zinc/56/16/19/428561619.db2.gz NMIBNZUNISMQHI-OGOZQZCJSA-N 1 2 309.429 2.740 20 30 DFEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1ccc(CC#N)cc1 ZINC000373570634 428609382 /nfs/dbraw/zinc/60/93/82/428609382.db2.gz ZCYFYXIIXCYPSV-HNNXBMFYSA-N 1 2 323.400 2.675 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1CC1 ZINC000348209670 428658048 /nfs/dbraw/zinc/65/80/48/428658048.db2.gz ZRBACQFBABXFDR-OAHLLOKOSA-N 1 2 309.373 2.759 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1(CC#N)CC1 ZINC000374021631 428659904 /nfs/dbraw/zinc/65/99/04/428659904.db2.gz GOWCBZNVUYHKAG-CQSZACIVSA-N 1 2 315.421 2.833 20 30 DFEDLO N#CCc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000374324406 428674860 /nfs/dbraw/zinc/67/48/60/428674860.db2.gz KWPBJWFOKQBOIE-SFHVURJKSA-N 1 2 323.371 2.678 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]3COC[C@H]32)c1C ZINC000374307976 428675099 /nfs/dbraw/zinc/67/50/99/428675099.db2.gz CYWLPNNLSIWAFL-DOTOQJQBSA-N 1 2 302.418 2.584 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]3COC[C@H]32)c1C ZINC000374307976 428675103 /nfs/dbraw/zinc/67/51/03/428675103.db2.gz CYWLPNNLSIWAFL-DOTOQJQBSA-N 1 2 302.418 2.584 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000362377967 428725801 /nfs/dbraw/zinc/72/58/01/428725801.db2.gz BAMKWMHJOMFXPD-ZDUSSCGKSA-N 1 2 307.825 2.742 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000348398671 428730165 /nfs/dbraw/zinc/73/01/65/428730165.db2.gz CMGDMRNDBNCTMC-SNVBAGLBSA-N 1 2 318.402 2.822 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000374367751 428676800 /nfs/dbraw/zinc/67/68/00/428676800.db2.gz XBPNARHRJSKEEV-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000374367751 428676803 /nfs/dbraw/zinc/67/68/03/428676803.db2.gz XBPNARHRJSKEEV-LIRRHRJNSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000358810651 428685612 /nfs/dbraw/zinc/68/56/12/428685612.db2.gz GKCYFOYSFIGBIL-JTQLQIEISA-N 1 2 304.316 2.599 20 30 DFEDLO CC[C@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416202784 428691358 /nfs/dbraw/zinc/69/13/58/428691358.db2.gz KENVUYVRASLYGO-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[C@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416202784 428691363 /nfs/dbraw/zinc/69/13/63/428691363.db2.gz KENVUYVRASLYGO-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000353884266 428760992 /nfs/dbraw/zinc/76/09/92/428760992.db2.gz SUSAHUMCNFIRNK-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000353884266 428760998 /nfs/dbraw/zinc/76/09/98/428760998.db2.gz SUSAHUMCNFIRNK-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000374849355 428763503 /nfs/dbraw/zinc/76/35/03/428763503.db2.gz CINFFUCYFAACEY-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000374849355 428763513 /nfs/dbraw/zinc/76/35/13/428763513.db2.gz CINFFUCYFAACEY-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000362579104 428791397 /nfs/dbraw/zinc/79/13/97/428791397.db2.gz HECJGBGKSPRIDL-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000362579104 428791402 /nfs/dbraw/zinc/79/14/02/428791402.db2.gz HECJGBGKSPRIDL-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411128482 428746360 /nfs/dbraw/zinc/74/63/60/428746360.db2.gz AGCTZRAYNZKZSE-AWEZNQCLSA-N 1 2 309.431 2.847 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411128482 428746364 /nfs/dbraw/zinc/74/63/64/428746364.db2.gz AGCTZRAYNZKZSE-AWEZNQCLSA-N 1 2 309.431 2.847 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000362678989 428799866 /nfs/dbraw/zinc/79/98/66/428799866.db2.gz HZTOXNRKWSAFMA-ZDUSSCGKSA-N 1 2 300.362 2.658 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353979436 428802765 /nfs/dbraw/zinc/80/27/65/428802765.db2.gz CNNMBXWOYYPBMC-LJQANCHMSA-N 1 2 321.380 2.809 20 30 DFEDLO N#Cc1cc(N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000375126453 428806437 /nfs/dbraw/zinc/80/64/37/428806437.db2.gz PPUCIAGPTICMNM-HNNXBMFYSA-N 1 2 323.356 2.942 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348708650 428817972 /nfs/dbraw/zinc/81/79/72/428817972.db2.gz YSILFWLKMTZPAQ-KRWDZBQOSA-N 1 2 324.428 2.824 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348708650 428817976 /nfs/dbraw/zinc/81/79/76/428817976.db2.gz YSILFWLKMTZPAQ-KRWDZBQOSA-N 1 2 324.428 2.824 20 30 DFEDLO Cc1cc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000416945922 428827384 /nfs/dbraw/zinc/82/73/84/428827384.db2.gz IEHAZXXNCOIRRT-KRWDZBQOSA-N 1 2 306.369 2.883 20 30 DFEDLO C=CCC1(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCC1 ZINC000418267310 428909949 /nfs/dbraw/zinc/90/99/49/428909949.db2.gz WGKOKJHADHWWEQ-ZDUSSCGKSA-N 1 2 315.408 2.667 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cc(C#N)ccc1C)C2 ZINC000363132592 428867209 /nfs/dbraw/zinc/86/72/09/428867209.db2.gz DVWSOROIVMYWRN-UHFFFAOYSA-N 1 2 309.373 2.728 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363185085 428877505 /nfs/dbraw/zinc/87/75/05/428877505.db2.gz OXYCVXKLMFTOPZ-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363185085 428877507 /nfs/dbraw/zinc/87/75/07/428877507.db2.gz OXYCVXKLMFTOPZ-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348922896 428879283 /nfs/dbraw/zinc/87/92/83/428879283.db2.gz WAPQGTVFGIDZQX-GFCCVEGCSA-N 1 2 322.372 2.535 20 30 DFEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348922896 428879287 /nfs/dbraw/zinc/87/92/87/428879287.db2.gz WAPQGTVFGIDZQX-GFCCVEGCSA-N 1 2 322.372 2.535 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974735 428899633 /nfs/dbraw/zinc/89/96/33/428899633.db2.gz APIVMEAVHSKROR-KSSFIOAISA-N 1 2 309.369 2.540 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974735 428899637 /nfs/dbraw/zinc/89/96/37/428899637.db2.gz APIVMEAVHSKROR-KSSFIOAISA-N 1 2 309.369 2.540 20 30 DFEDLO Cc1nnc([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000412044425 428924844 /nfs/dbraw/zinc/92/48/44/428924844.db2.gz QLKHAKOHCSCZTG-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nnc([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000412044425 428924849 /nfs/dbraw/zinc/92/48/49/428924849.db2.gz QLKHAKOHCSCZTG-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000412044425 428924855 /nfs/dbraw/zinc/92/48/55/428924855.db2.gz QLKHAKOHCSCZTG-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000412044425 428924862 /nfs/dbraw/zinc/92/48/62/428924862.db2.gz QLKHAKOHCSCZTG-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO COC(=O)[C@H]1CSCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000412070745 428940272 /nfs/dbraw/zinc/94/02/72/428940272.db2.gz ITODGKIZCKFHQJ-CQSZACIVSA-N 1 2 323.845 2.530 20 30 DFEDLO COC(=O)[C@H]1CSCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000412070745 428940277 /nfs/dbraw/zinc/94/02/77/428940277.db2.gz ITODGKIZCKFHQJ-CQSZACIVSA-N 1 2 323.845 2.530 20 30 DFEDLO Cc1cc(CNC(=O)NCC2CCC(C#N)CC2)cc(C)[nH+]1 ZINC000420859269 428969075 /nfs/dbraw/zinc/96/90/75/428969075.db2.gz GTRYEBDFGQTUNU-UHFFFAOYSA-N 1 2 300.406 2.828 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433319715 429023221 /nfs/dbraw/zinc/02/32/21/429023221.db2.gz JNRLXMPJXNYCJO-OAHLLOKOSA-N 1 2 301.434 2.824 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433319715 429023226 /nfs/dbraw/zinc/02/32/26/429023226.db2.gz JNRLXMPJXNYCJO-OAHLLOKOSA-N 1 2 301.434 2.824 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C#N)C1CC1 ZINC000354520900 428993912 /nfs/dbraw/zinc/99/39/12/428993912.db2.gz LPUDXVZDBMWZFK-HNNXBMFYSA-N 1 2 310.401 2.797 20 30 DFEDLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc(C)[nH+]1 ZINC000421561505 429001739 /nfs/dbraw/zinc/00/17/39/429001739.db2.gz STRAPIJSKCQXTF-CQSZACIVSA-N 1 2 309.369 2.654 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000376336779 429096526 /nfs/dbraw/zinc/09/65/26/429096526.db2.gz NCRXKPSLMYUPSH-INIZCTEOSA-N 1 2 315.808 2.858 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000376336779 429096530 /nfs/dbraw/zinc/09/65/30/429096530.db2.gz NCRXKPSLMYUPSH-INIZCTEOSA-N 1 2 315.808 2.858 20 30 DFEDLO C=CCOc1ccc(CNc2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000376206568 429074662 /nfs/dbraw/zinc/07/46/62/429074662.db2.gz ZOQGQOFRMCPUNH-UHFFFAOYSA-N 1 2 306.369 3.444 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000413124233 429142639 /nfs/dbraw/zinc/14/26/39/429142639.db2.gz FJHMQVKBBCAXGO-DOTOQJQBSA-N 1 2 312.417 2.758 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000424291539 429120657 /nfs/dbraw/zinc/12/06/57/429120657.db2.gz DPOLGMXDVDEKHJ-INIZCTEOSA-N 1 2 313.361 2.540 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000494632350 429134332 /nfs/dbraw/zinc/13/43/32/429134332.db2.gz DKLSNLXLLVNBKA-UHFFFAOYSA-N 1 2 310.419 2.598 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000494632350 429134338 /nfs/dbraw/zinc/13/43/38/429134338.db2.gz DKLSNLXLLVNBKA-UHFFFAOYSA-N 1 2 310.419 2.598 20 30 DFEDLO C=C(CC)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000454313154 429163372 /nfs/dbraw/zinc/16/33/72/429163372.db2.gz GKYBVOBNIPVNNX-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO C=CCC[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731850 429171842 /nfs/dbraw/zinc/17/18/42/429171842.db2.gz VWVJNLHPXMWXLO-OAHLLOKOSA-N 1 2 314.389 2.536 20 30 DFEDLO Cc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC000488099306 429176743 /nfs/dbraw/zinc/17/67/43/429176743.db2.gz KHSBECITBWYAMN-UHFFFAOYSA-N 1 2 303.369 3.119 20 30 DFEDLO C=C(Cl)C[N@H+]1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495282659 429195724 /nfs/dbraw/zinc/19/57/24/429195724.db2.gz WJTKMMGEUGQYJJ-CHWSQXEVSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495282659 429195726 /nfs/dbraw/zinc/19/57/26/429195726.db2.gz WJTKMMGEUGQYJJ-CHWSQXEVSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000488907484 429206762 /nfs/dbraw/zinc/20/67/62/429206762.db2.gz FQQASECQKSPAOP-MSOLQXFVSA-N 1 2 316.445 2.705 20 30 DFEDLO C=C(CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000488907484 429206764 /nfs/dbraw/zinc/20/67/64/429206764.db2.gz FQQASECQKSPAOP-MSOLQXFVSA-N 1 2 316.445 2.705 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000439076056 429216039 /nfs/dbraw/zinc/21/60/39/429216039.db2.gz HUIJMYSFQOZSMC-UHFFFAOYSA-N 1 2 322.290 2.556 20 30 DFEDLO CC[C@H](NC(=O)c1cccc(SCC#N)c1)c1[nH]cc[nH+]1 ZINC000442810101 429237237 /nfs/dbraw/zinc/23/72/37/429237237.db2.gz MSLUQXHHBGFLFP-ZDUSSCGKSA-N 1 2 300.387 2.906 20 30 DFEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1C#N ZINC000442812405 429237265 /nfs/dbraw/zinc/23/72/65/429237265.db2.gz QWQKGJBDVZHGJL-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1C#N ZINC000442812405 429237267 /nfs/dbraw/zinc/23/72/67/429237267.db2.gz QWQKGJBDVZHGJL-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425138408 429237641 /nfs/dbraw/zinc/23/76/41/429237641.db2.gz AJSTYFHXIUBHRY-GOEBONIOSA-N 1 2 310.401 2.940 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C#N)cc1)C2 ZINC000364631858 429239375 /nfs/dbraw/zinc/23/93/75/429239375.db2.gz PROZMZHDLVPATM-HNNXBMFYSA-N 1 2 322.412 2.826 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C#N)cc1)CC2 ZINC000364631858 429239378 /nfs/dbraw/zinc/23/93/78/429239378.db2.gz PROZMZHDLVPATM-HNNXBMFYSA-N 1 2 322.412 2.826 20 30 DFEDLO COc1ccc(COCCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425221924 429246058 /nfs/dbraw/zinc/24/60/58/429246058.db2.gz HQBSPKFORRJUJX-UHFFFAOYSA-N 1 2 311.385 2.711 20 30 DFEDLO COc1ccc(CCCNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425206146 429246893 /nfs/dbraw/zinc/24/68/93/429246893.db2.gz CMEXWTXOXLONDA-UHFFFAOYSA-N 1 2 311.385 2.746 20 30 DFEDLO Cc1cc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425230441 429247971 /nfs/dbraw/zinc/24/79/71/429247971.db2.gz CBERJFMYZILEHP-ZDUSSCGKSA-N 1 2 301.390 2.820 20 30 DFEDLO Cc1cc(N2CCC(c3nncn3C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425243097 429249666 /nfs/dbraw/zinc/24/96/66/429249666.db2.gz DUCOZGBQWVIFQG-UHFFFAOYSA-N 1 2 310.405 2.818 20 30 DFEDLO Cc1cc(NCc2ccncc2OCC(F)(F)F)c(C#N)c[nH+]1 ZINC000425253040 429252788 /nfs/dbraw/zinc/25/27/88/429252788.db2.gz CBOIKHKOWFZZBA-UHFFFAOYSA-N 1 2 322.290 2.632 20 30 DFEDLO COC(=O)c1csc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529360 429318016 /nfs/dbraw/zinc/31/80/16/429318016.db2.gz BIAWMNKBNPFRTB-LLVKDONJSA-N 1 2 315.398 2.994 20 30 DFEDLO COC(=O)c1csc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529360 429318019 /nfs/dbraw/zinc/31/80/19/429318019.db2.gz BIAWMNKBNPFRTB-LLVKDONJSA-N 1 2 315.398 2.994 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000425535170 429318265 /nfs/dbraw/zinc/31/82/65/429318265.db2.gz MYUDNWSPDLPCKZ-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000425535170 429318268 /nfs/dbraw/zinc/31/82/68/429318268.db2.gz MYUDNWSPDLPCKZ-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1nc(N)c2ccccc2n1 ZINC000491071030 429322984 /nfs/dbraw/zinc/32/29/84/429322984.db2.gz HJHDNWBQWQAHHP-UHFFFAOYSA-N 1 2 302.381 2.847 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1nc(N)c2ccccc2n1 ZINC000491071030 429322987 /nfs/dbraw/zinc/32/29/87/429322987.db2.gz HJHDNWBQWQAHHP-UHFFFAOYSA-N 1 2 302.381 2.847 20 30 DFEDLO C[C@@H](C[N@H+](CCC#N)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449023153 429324209 /nfs/dbraw/zinc/32/42/09/429324209.db2.gz NZDCLOGLALUPDR-AWEZNQCLSA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@@H](C[N@@H+](CCC#N)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449023153 429324212 /nfs/dbraw/zinc/32/42/12/429324212.db2.gz NZDCLOGLALUPDR-AWEZNQCLSA-N 1 2 320.458 2.819 20 30 DFEDLO C#C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1F ZINC000491127033 429327556 /nfs/dbraw/zinc/32/75/56/429327556.db2.gz VFYKOMVRPWPCQE-CYBMUJFWSA-N 1 2 305.740 2.544 20 30 DFEDLO C#C[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1F ZINC000491127033 429327560 /nfs/dbraw/zinc/32/75/60/429327560.db2.gz VFYKOMVRPWPCQE-CYBMUJFWSA-N 1 2 305.740 2.544 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425646395 429332386 /nfs/dbraw/zinc/33/23/86/429332386.db2.gz FDMNBVXBYNTUEI-SWLSCSKDSA-N 1 2 309.373 2.901 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445984532 429295082 /nfs/dbraw/zinc/29/50/82/429295082.db2.gz ABWJUPHKBATSKO-INIZCTEOSA-N 1 2 304.821 2.538 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445984532 429295085 /nfs/dbraw/zinc/29/50/85/429295085.db2.gz ABWJUPHKBATSKO-INIZCTEOSA-N 1 2 304.821 2.538 20 30 DFEDLO N#CCc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000365325913 429300360 /nfs/dbraw/zinc/30/03/60/429300360.db2.gz JHCHUNAKBURKNE-SFHVURJKSA-N 1 2 305.381 2.966 20 30 DFEDLO N#CCc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000365325913 429300362 /nfs/dbraw/zinc/30/03/62/429300362.db2.gz JHCHUNAKBURKNE-SFHVURJKSA-N 1 2 305.381 2.966 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447856322 429307299 /nfs/dbraw/zinc/30/72/99/429307299.db2.gz ZXZRFBLEKXCKDP-CYBMUJFWSA-N 1 2 319.371 2.801 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447856322 429307303 /nfs/dbraw/zinc/30/73/03/429307303.db2.gz ZXZRFBLEKXCKDP-CYBMUJFWSA-N 1 2 319.371 2.801 20 30 DFEDLO C#CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000490935879 429314409 /nfs/dbraw/zinc/31/44/09/429314409.db2.gz OUVVWSZALFQQSG-SECBINFHSA-N 1 2 306.163 2.783 20 30 DFEDLO C=CC(C)(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448764095 429317880 /nfs/dbraw/zinc/31/78/80/429317880.db2.gz KBSXOIDLBWXIOT-UHFFFAOYSA-N 1 2 322.206 2.925 20 30 DFEDLO C#CCN(C(=O)N[C@@H](C)c1[nH+]ccn1CC)C1CCCCC1 ZINC000491736070 429398928 /nfs/dbraw/zinc/39/89/28/429398928.db2.gz USMKBBQYMBRYTK-AWEZNQCLSA-N 1 2 302.422 2.942 20 30 DFEDLO C#CCN(C(=O)N[C@H](C)c1[nH+]ccn1CC)C1CCCCC1 ZINC000491736076 429399420 /nfs/dbraw/zinc/39/94/20/429399420.db2.gz USMKBBQYMBRYTK-CQSZACIVSA-N 1 2 302.422 2.942 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491757776 429403267 /nfs/dbraw/zinc/40/32/67/429403267.db2.gz FLOMRXNCVTVKSY-LBPRGKRZSA-N 1 2 315.442 2.781 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491757776 429403271 /nfs/dbraw/zinc/40/32/71/429403271.db2.gz FLOMRXNCVTVKSY-LBPRGKRZSA-N 1 2 315.442 2.781 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491774312 429406412 /nfs/dbraw/zinc/40/64/12/429406412.db2.gz CLFGFWZEKNRPND-JKSUJKDBSA-N 1 2 310.401 2.611 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000491783570 429408070 /nfs/dbraw/zinc/40/80/70/429408070.db2.gz OALLIOUXGBXJLR-SNVBAGLBSA-N 1 2 306.207 2.789 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000491783570 429408074 /nfs/dbraw/zinc/40/80/74/429408074.db2.gz OALLIOUXGBXJLR-SNVBAGLBSA-N 1 2 306.207 2.789 20 30 DFEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491406494 429357749 /nfs/dbraw/zinc/35/77/49/429357749.db2.gz OASQQIITJAYZOA-WFASDCNBSA-N 1 2 301.777 2.978 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000491474090 429363828 /nfs/dbraw/zinc/36/38/28/429363828.db2.gz JXYSNYPWKUCXEE-KRWDZBQOSA-N 1 2 324.428 2.575 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3occc3c2)n1 ZINC000491524061 429369385 /nfs/dbraw/zinc/36/93/85/429369385.db2.gz IRWSXQXKSPQQPI-UHFFFAOYSA-N 1 2 323.396 2.911 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3occc3c2)n1 ZINC000491524061 429369390 /nfs/dbraw/zinc/36/93/90/429369390.db2.gz IRWSXQXKSPQQPI-UHFFFAOYSA-N 1 2 323.396 2.911 20 30 DFEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)(C)C ZINC000491545798 429371926 /nfs/dbraw/zinc/37/19/26/429371926.db2.gz SEGSZCVLZOCUIN-KRWDZBQOSA-N 1 2 309.413 2.638 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 ZINC000515117739 429375228 /nfs/dbraw/zinc/37/52/28/429375228.db2.gz SBKYQSBVMVFLKT-HNNXBMFYSA-N 1 2 324.775 2.937 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(F)ccc2C)n1 ZINC000491626655 429380001 /nfs/dbraw/zinc/38/00/01/429380001.db2.gz LPTJIVXMMSRILK-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(F)ccc2C)n1 ZINC000491626655 429380006 /nfs/dbraw/zinc/38/00/06/429380006.db2.gz LPTJIVXMMSRILK-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(OC)n1 ZINC000449323294 429387175 /nfs/dbraw/zinc/38/71/75/429387175.db2.gz UCWUBXVDDFPWIC-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(OC)n1 ZINC000449323294 429387177 /nfs/dbraw/zinc/38/71/77/429387177.db2.gz UCWUBXVDDFPWIC-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@]1(C#N)CC13CCCC3)CCC2 ZINC000519521531 429461317 /nfs/dbraw/zinc/46/13/17/429461317.db2.gz UAYORFHCOQQQJQ-KSSFIOAISA-N 1 2 312.417 2.659 20 30 DFEDLO C=CCC[C@H](NCc1c[nH+]c2cc(C)ccn12)C(=O)OCC ZINC000449652077 429469482 /nfs/dbraw/zinc/46/94/82/429469482.db2.gz AKYCDECWPFTHOB-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449427537 429413784 /nfs/dbraw/zinc/41/37/84/429413784.db2.gz SODHXGVMKDUWOQ-OALUTQOASA-N 1 2 310.372 2.858 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449427537 429413788 /nfs/dbraw/zinc/41/37/88/429413788.db2.gz SODHXGVMKDUWOQ-OALUTQOASA-N 1 2 310.372 2.858 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000366562945 429475696 /nfs/dbraw/zinc/47/56/96/429475696.db2.gz BKYGNPGQYPYBCE-QWHCGFSZSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000366562945 429475701 /nfs/dbraw/zinc/47/57/01/429475701.db2.gz BKYGNPGQYPYBCE-QWHCGFSZSA-N 1 2 304.228 2.555 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCCOC2)O1 ZINC000366569007 429477143 /nfs/dbraw/zinc/47/71/43/429477143.db2.gz LBBKZLLZNUQWBM-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCCOC2)O1 ZINC000366569007 429477145 /nfs/dbraw/zinc/47/71/45/429477145.db2.gz LBBKZLLZNUQWBM-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO Cc1cc(NC(=O)C=Cc2ccc(OCC#N)cc2)c(C)c[nH+]1 ZINC000492295800 429504351 /nfs/dbraw/zinc/50/43/51/429504351.db2.gz MUUFMHITZQAXLJ-YVMONPNESA-N 1 2 307.353 2.675 20 30 DFEDLO CCc1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000428313202 429509293 /nfs/dbraw/zinc/50/92/93/429509293.db2.gz WELXSEUOYNTUNF-QGZVFWFLSA-N 1 2 311.385 2.991 20 30 DFEDLO CCc1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000428313202 429509297 /nfs/dbraw/zinc/50/92/97/429509297.db2.gz WELXSEUOYNTUNF-QGZVFWFLSA-N 1 2 311.385 2.991 20 30 DFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000367057556 429567655 /nfs/dbraw/zinc/56/76/55/429567655.db2.gz KQBIYXFYMCXGIW-UHFFFAOYSA-N 1 2 323.425 2.848 20 30 DFEDLO COc1ccc(F)cc1C[NH+]1CCN(CC2(C#N)CCC2)CC1 ZINC000450218846 429582238 /nfs/dbraw/zinc/58/22/38/429582238.db2.gz VEBAYQFVFPCIBH-UHFFFAOYSA-N 1 2 317.408 2.646 20 30 DFEDLO COc1ccc(F)cc1CN1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450218846 429582243 /nfs/dbraw/zinc/58/22/43/429582243.db2.gz VEBAYQFVFPCIBH-UHFFFAOYSA-N 1 2 317.408 2.646 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429166059 429582977 /nfs/dbraw/zinc/58/29/77/429582977.db2.gz HDQFYWJSRCOZTR-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429166059 429582981 /nfs/dbraw/zinc/58/29/81/429582981.db2.gz HDQFYWJSRCOZTR-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO N#Cc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1Cl ZINC000429213761 429586625 /nfs/dbraw/zinc/58/66/25/429586625.db2.gz LCDGQLLKMFAESB-UHFFFAOYSA-N 1 2 309.760 3.404 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CSC)C1 ZINC000429294831 429598323 /nfs/dbraw/zinc/59/83/23/429598323.db2.gz SHQZFWJOPIVSJC-GOEBONIOSA-N 1 2 318.442 2.847 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CSC)C1 ZINC000429294831 429598327 /nfs/dbraw/zinc/59/83/27/429598327.db2.gz SHQZFWJOPIVSJC-GOEBONIOSA-N 1 2 318.442 2.847 20 30 DFEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000523115548 429601066 /nfs/dbraw/zinc/60/10/66/429601066.db2.gz OFQSWODDHXFHNQ-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000523115548 429601072 /nfs/dbraw/zinc/60/10/72/429601072.db2.gz OFQSWODDHXFHNQ-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO Cc1nsc(NC2CC[NH+](Cc3cscn3)CC2)c1C#N ZINC000367261342 429607102 /nfs/dbraw/zinc/60/71/02/429607102.db2.gz YVQRBYZKUSARLE-UHFFFAOYSA-N 1 2 319.459 2.856 20 30 DFEDLO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)CC1(C#N)CCC1 ZINC000450371748 429612698 /nfs/dbraw/zinc/61/26/98/429612698.db2.gz KAYIBDHYPWAHTC-OAHLLOKOSA-N 1 2 319.474 2.747 20 30 DFEDLO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)CC1(C#N)CCC1 ZINC000450371748 429612701 /nfs/dbraw/zinc/61/27/01/429612701.db2.gz KAYIBDHYPWAHTC-OAHLLOKOSA-N 1 2 319.474 2.747 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)/C=C/c2[nH+]ccn2CC)cc1 ZINC000493010675 429666265 /nfs/dbraw/zinc/66/62/65/429666265.db2.gz YVCFAXJRHFENEM-SCOAYWHSSA-N 1 2 308.385 2.860 20 30 DFEDLO CC[N@H+](Cc1oncc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000286049766 276145030 /nfs/dbraw/zinc/14/50/30/276145030.db2.gz RBPPRDRMXNROBD-LBPRGKRZSA-N 1 2 313.357 2.916 20 30 DFEDLO CC[N@@H+](Cc1oncc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000286049766 276145031 /nfs/dbraw/zinc/14/50/31/276145031.db2.gz RBPPRDRMXNROBD-LBPRGKRZSA-N 1 2 313.357 2.916 20 30 DFEDLO CC(C)(CC#N)CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493063032 429680019 /nfs/dbraw/zinc/68/00/19/429680019.db2.gz LFTOKKFUFBAIAN-YVMONPNESA-N 1 2 308.385 2.942 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000367656626 429694895 /nfs/dbraw/zinc/69/48/95/429694895.db2.gz DPGXLLFXZVGAQH-UHFFFAOYSA-N 1 2 317.396 2.513 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000367656626 429694900 /nfs/dbraw/zinc/69/49/00/429694900.db2.gz DPGXLLFXZVGAQH-UHFFFAOYSA-N 1 2 317.396 2.513 20 30 DFEDLO CCOC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459713133 429701839 /nfs/dbraw/zinc/70/18/39/429701839.db2.gz NPMYGNCHINLZBN-AWEZNQCLSA-N 1 2 303.362 2.857 20 30 DFEDLO CCOC[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459713133 429701844 /nfs/dbraw/zinc/70/18/44/429701844.db2.gz NPMYGNCHINLZBN-AWEZNQCLSA-N 1 2 303.362 2.857 20 30 DFEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CCC1)c1cccc(OC)c1 ZINC000450821619 429705791 /nfs/dbraw/zinc/70/57/91/429705791.db2.gz RROWNWNXLYFEKO-QGZVFWFLSA-N 1 2 316.401 2.757 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000367756034 429712158 /nfs/dbraw/zinc/71/21/58/429712158.db2.gz RHFSNCDWLGXNLX-OAHLLOKOSA-N 1 2 321.218 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000367756034 429712162 /nfs/dbraw/zinc/71/21/62/429712162.db2.gz RHFSNCDWLGXNLX-OAHLLOKOSA-N 1 2 321.218 2.668 20 30 DFEDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000431143122 429746363 /nfs/dbraw/zinc/74/63/63/429746363.db2.gz YZJJJNZYPDINDJ-INIZCTEOSA-N 1 2 320.458 2.698 20 30 DFEDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000431143122 429746368 /nfs/dbraw/zinc/74/63/68/429746368.db2.gz YZJJJNZYPDINDJ-INIZCTEOSA-N 1 2 320.458 2.698 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@H](CC)CN1C(C)=O ZINC000472324913 429714418 /nfs/dbraw/zinc/71/44/18/429714418.db2.gz IXDKNIBEYPAAEO-QZTJIDSGSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@H](CC)CN1C(C)=O ZINC000472324913 429714420 /nfs/dbraw/zinc/71/44/20/429714420.db2.gz IXDKNIBEYPAAEO-QZTJIDSGSA-N 1 2 317.408 2.919 20 30 DFEDLO C=CCC1(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000450866854 429716407 /nfs/dbraw/zinc/71/64/07/429716407.db2.gz KUNZHDUUVGZXSQ-OAHLLOKOSA-N 1 2 316.449 2.751 20 30 DFEDLO Cc1csc2c1C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000367890359 429736405 /nfs/dbraw/zinc/73/64/05/429736405.db2.gz DWSINRYZDPOUDC-UHFFFAOYSA-N 1 2 317.458 2.757 20 30 DFEDLO Cc1csc2c1C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000367890359 429736407 /nfs/dbraw/zinc/73/64/07/429736407.db2.gz DWSINRYZDPOUDC-UHFFFAOYSA-N 1 2 317.458 2.757 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC#Cc1ccccc1)C2 ZINC000527512882 429755046 /nfs/dbraw/zinc/75/50/46/429755046.db2.gz UNKGCPJNCORIDB-MRXNPFEDSA-N 1 2 321.424 2.806 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC#Cc1ccccc1)CC2 ZINC000527512882 429755048 /nfs/dbraw/zinc/75/50/48/429755048.db2.gz UNKGCPJNCORIDB-MRXNPFEDSA-N 1 2 321.424 2.806 20 30 DFEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000527535596 429757630 /nfs/dbraw/zinc/75/76/30/429757630.db2.gz XEEYNEXMJUIEMF-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO N#CCC1(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493462358 429768814 /nfs/dbraw/zinc/76/88/14/429768814.db2.gz YIBIDLNUNUYLKE-UTCJRWHESA-N 1 2 306.369 2.696 20 30 DFEDLO CC[C@H](CC#N)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368567931 429868400 /nfs/dbraw/zinc/86/84/00/429868400.db2.gz OTQVULDHCXWZAH-NXHRZFHOSA-N 1 2 301.434 2.558 20 30 DFEDLO CC[C@H](CC#N)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368567931 429868403 /nfs/dbraw/zinc/86/84/03/429868403.db2.gz OTQVULDHCXWZAH-NXHRZFHOSA-N 1 2 301.434 2.558 20 30 DFEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493790118 429830047 /nfs/dbraw/zinc/83/00/47/429830047.db2.gz OXPDAPGCGPCCDJ-VOTSOKGWSA-N 1 2 312.329 2.546 20 30 DFEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(F)F ZINC000494218212 429859856 /nfs/dbraw/zinc/85/98/56/429859856.db2.gz APQOXAAQXAPHTO-LBPRGKRZSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(F)F ZINC000494218212 429859859 /nfs/dbraw/zinc/85/98/59/429859859.db2.gz APQOXAAQXAPHTO-LBPRGKRZSA-N 1 2 307.344 2.864 20 30 DFEDLO N#Cc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000368676085 429886068 /nfs/dbraw/zinc/88/60/68/429886068.db2.gz RKRRUXUAECJTDA-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO N#Cc1ccncc1O[C@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528522097 429896373 /nfs/dbraw/zinc/89/63/73/429896373.db2.gz VVIAZRWEWZMDCU-ZDUSSCGKSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccncc1O[C@H]1CC[N@H+](Cc2ncccc2Cl)C1 ZINC000528522097 429896375 /nfs/dbraw/zinc/89/63/75/429896375.db2.gz VVIAZRWEWZMDCU-ZDUSSCGKSA-N 1 2 314.776 2.655 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000369001387 429906529 /nfs/dbraw/zinc/90/65/29/429906529.db2.gz QLIISWFPLXHGSI-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000369001387 429906531 /nfs/dbraw/zinc/90/65/31/429906531.db2.gz QLIISWFPLXHGSI-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120615 429914168 /nfs/dbraw/zinc/91/41/68/429914168.db2.gz WDZUNBYDZJKIFK-IBGZPJMESA-N 1 2 309.413 2.713 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120615 429914170 /nfs/dbraw/zinc/91/41/70/429914170.db2.gz WDZUNBYDZJKIFK-IBGZPJMESA-N 1 2 309.413 2.713 20 30 DFEDLO N#CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000369177907 429917323 /nfs/dbraw/zinc/91/73/23/429917323.db2.gz VYVOJNMPKMUBET-MRXNPFEDSA-N 1 2 324.384 2.608 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC=C(c3c(F)cccc3F)CC2)C1=O ZINC000369196482 429918920 /nfs/dbraw/zinc/91/89/20/429918920.db2.gz FRZTVRRQLZUWGN-MRXNPFEDSA-N 1 2 318.367 2.841 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC=C(c3c(F)cccc3F)CC2)C1=O ZINC000369196482 429918921 /nfs/dbraw/zinc/91/89/21/429918921.db2.gz FRZTVRRQLZUWGN-MRXNPFEDSA-N 1 2 318.367 2.841 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000369283116 429922099 /nfs/dbraw/zinc/92/20/99/429922099.db2.gz LYMZOTJQRMGTBJ-AWEZNQCLSA-N 1 2 318.380 2.989 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000369283116 429922100 /nfs/dbraw/zinc/92/21/00/429922100.db2.gz LYMZOTJQRMGTBJ-AWEZNQCLSA-N 1 2 318.380 2.989 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@](=O)C1 ZINC000369347296 429926168 /nfs/dbraw/zinc/92/61/68/429926168.db2.gz WTHMCMZJRFDMBQ-QRQCRPRQSA-N 1 2 320.458 2.570 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@](=O)C1 ZINC000369347296 429926172 /nfs/dbraw/zinc/92/61/72/429926172.db2.gz WTHMCMZJRFDMBQ-QRQCRPRQSA-N 1 2 320.458 2.570 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000573782250 429981844 /nfs/dbraw/zinc/98/18/44/429981844.db2.gz IHAYGGHKQJWYPG-MRXNPFEDSA-N 1 2 310.401 2.596 20 30 DFEDLO CC1CCC(O)(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000369391483 429936102 /nfs/dbraw/zinc/93/61/02/429936102.db2.gz NKIUDNDKFZQITD-JYSRZZCRSA-N 1 2 306.450 2.855 20 30 DFEDLO CC1CCC(O)(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000369391483 429936107 /nfs/dbraw/zinc/93/61/07/429936107.db2.gz NKIUDNDKFZQITD-JYSRZZCRSA-N 1 2 306.450 2.855 20 30 DFEDLO COCC#CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811177 429988572 /nfs/dbraw/zinc/98/85/72/429988572.db2.gz VDZJHSLXGCYHSY-UHFFFAOYSA-N 1 2 311.307 2.663 20 30 DFEDLO COCC#CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811177 429988576 /nfs/dbraw/zinc/98/85/76/429988576.db2.gz VDZJHSLXGCYHSY-UHFFFAOYSA-N 1 2 311.307 2.663 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810963 429989926 /nfs/dbraw/zinc/98/99/26/429989926.db2.gz NMQZKYAWMXLSBK-CYBMUJFWSA-N 1 2 313.323 2.951 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810963 429989930 /nfs/dbraw/zinc/98/99/30/429989930.db2.gz NMQZKYAWMXLSBK-CYBMUJFWSA-N 1 2 313.323 2.951 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000573896733 429991235 /nfs/dbraw/zinc/99/12/35/429991235.db2.gz ZXGFIDNIGXPDMO-ZDUSSCGKSA-N 1 2 318.179 2.706 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)CSc2ccc(C#N)cc2)[nH+]1 ZINC000574092588 430010144 /nfs/dbraw/zinc/01/01/44/430010144.db2.gz DRQHFGASZFCOGN-UHFFFAOYSA-N 1 2 314.414 2.733 20 30 DFEDLO COc1cccc2c1CN(C[N@H+](C)Cc1cccc(C#N)c1)C2=O ZINC000530095888 430096987 /nfs/dbraw/zinc/09/69/87/430096987.db2.gz NLUWPQZHAOMBKV-UHFFFAOYSA-N 1 2 321.380 2.612 20 30 DFEDLO COc1cccc2c1CN(C[N@@H+](C)Cc1cccc(C#N)c1)C2=O ZINC000530095888 430096992 /nfs/dbraw/zinc/09/69/92/430096992.db2.gz NLUWPQZHAOMBKV-UHFFFAOYSA-N 1 2 321.380 2.612 20 30 DFEDLO CC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000576994976 430110378 /nfs/dbraw/zinc/11/03/78/430110378.db2.gz ZBDPRQUMJWROOV-YJBOKZPZSA-N 1 2 301.434 2.839 20 30 DFEDLO CCCn1ccc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000574686334 430051365 /nfs/dbraw/zinc/05/13/65/430051365.db2.gz QCUPOCXQJXZAJQ-QGZVFWFLSA-N 1 2 314.433 2.670 20 30 DFEDLO CCCn1ccc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000574686334 430051368 /nfs/dbraw/zinc/05/13/68/430051368.db2.gz QCUPOCXQJXZAJQ-QGZVFWFLSA-N 1 2 314.433 2.670 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cscc2C#N)CC1(C)C ZINC000560672067 430061379 /nfs/dbraw/zinc/06/13/79/430061379.db2.gz XBRHMZWMNSWVET-GFCCVEGCSA-N 1 2 300.387 2.577 20 30 DFEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000537620764 430172865 /nfs/dbraw/zinc/17/28/65/430172865.db2.gz WAFJEVXIMKZDHM-LBPRGKRZSA-N 1 2 324.384 2.929 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000537620764 430172868 /nfs/dbraw/zinc/17/28/68/430172868.db2.gz WAFJEVXIMKZDHM-LBPRGKRZSA-N 1 2 324.384 2.929 20 30 DFEDLO CCN1CCN(c2cc(Cl)ccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480793 430118253 /nfs/dbraw/zinc/11/82/53/430118253.db2.gz LXQRBRXQGSQPEN-HNNXBMFYSA-N 1 2 315.808 2.818 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000580090222 430128950 /nfs/dbraw/zinc/12/89/50/430128950.db2.gz OXVHARHNUAZOEC-IAGOWNOFSA-N 1 2 301.434 2.824 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000564612267 430197431 /nfs/dbraw/zinc/19/74/31/430197431.db2.gz DCMMIPZFNCIKRL-UHFFFAOYSA-N 1 2 312.373 2.886 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564633197 430197668 /nfs/dbraw/zinc/19/76/68/430197668.db2.gz XNUPXUIKUNASEC-LBPRGKRZSA-N 1 2 316.430 2.726 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000564633197 430197673 /nfs/dbraw/zinc/19/76/73/430197673.db2.gz XNUPXUIKUNASEC-LBPRGKRZSA-N 1 2 316.430 2.726 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000292149891 335088227 /nfs/dbraw/zinc/08/82/27/335088227.db2.gz DQDJVXJXQPZVHH-UHFFFAOYSA-N 1 2 307.463 2.780 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000292149891 335088229 /nfs/dbraw/zinc/08/82/29/335088229.db2.gz DQDJVXJXQPZVHH-UHFFFAOYSA-N 1 2 307.463 2.780 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000581920907 430251197 /nfs/dbraw/zinc/25/11/97/430251197.db2.gz YGROKQAKBQSDBN-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000581920907 430251200 /nfs/dbraw/zinc/25/12/00/430251200.db2.gz YGROKQAKBQSDBN-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccc(C#N)cn1)CCCC2 ZINC000582255956 430283564 /nfs/dbraw/zinc/28/35/64/430283564.db2.gz UVFOSJHFMGFXSW-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000567990245 430301527 /nfs/dbraw/zinc/30/15/27/430301527.db2.gz LVRFETMQOCDLMQ-UHFFFAOYSA-N 1 2 301.346 2.611 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000567990245 430301531 /nfs/dbraw/zinc/30/15/31/430301531.db2.gz LVRFETMQOCDLMQ-UHFFFAOYSA-N 1 2 301.346 2.611 20 30 DFEDLO C=CC1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635547815 430305061 /nfs/dbraw/zinc/30/50/61/430305061.db2.gz ITXSPEIIIFKFIV-GFCCVEGCSA-N 1 2 301.312 2.801 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ncc(-c3ccccc3)o2)nn1 ZINC000641054981 430315004 /nfs/dbraw/zinc/31/50/04/430315004.db2.gz KZWLHZIVAFKUBC-AWEZNQCLSA-N 1 2 321.384 2.655 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000568182415 430326657 /nfs/dbraw/zinc/32/66/57/430326657.db2.gz OGVZGYYQJFSORM-KRWDZBQOSA-N 1 2 315.461 2.925 20 30 DFEDLO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2[nH+]ccn21 ZINC000568474480 430360397 /nfs/dbraw/zinc/36/03/97/430360397.db2.gz SWLYXODCLXUEGN-WPRPVWTQSA-N 1 2 307.279 3.286 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000546709828 430366713 /nfs/dbraw/zinc/36/67/13/430366713.db2.gz FSUZUEVVYHLTPN-UHFFFAOYSA-N 1 2 320.352 2.704 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000583980822 430446893 /nfs/dbraw/zinc/44/68/93/430446893.db2.gz OYYMDOBTLVABQI-ADLMAVQZSA-N 1 2 308.385 2.617 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNc1ccc(C#N)c(C)n1 ZINC000589861776 430485779 /nfs/dbraw/zinc/48/57/79/430485779.db2.gz NMVWPOLGZNNTIB-UHFFFAOYSA-N 1 2 305.385 3.286 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000548615812 430487000 /nfs/dbraw/zinc/48/70/00/430487000.db2.gz JPHAUKYXJLODQN-ZDUSSCGKSA-N 1 2 314.776 2.575 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548646497 430488887 /nfs/dbraw/zinc/48/88/87/430488887.db2.gz QIEYTJDTRINLHK-GFCCVEGCSA-N 1 2 315.764 2.545 20 30 DFEDLO CCCC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1cc(C)on1 ZINC000595701474 430503930 /nfs/dbraw/zinc/50/39/30/430503930.db2.gz GNFTVYWRSAIXTE-KKUMJFAQSA-N 1 2 318.421 3.152 20 30 DFEDLO CC[C@@H](Cc1ccccc1C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570048344 430509694 /nfs/dbraw/zinc/50/96/94/430509694.db2.gz QYOFSLKQSGRMPI-MAUKXSAKSA-N 1 2 301.434 2.524 20 30 DFEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC000596358432 430513375 /nfs/dbraw/zinc/51/33/75/430513375.db2.gz VNGSPFYDXBRNAN-UHFFFAOYSA-N 1 2 313.792 3.214 20 30 DFEDLO CC(C)c1cccc(O[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000570098715 430513794 /nfs/dbraw/zinc/51/37/94/430513794.db2.gz VVFSUGROZFSBMY-KBXCAEBGSA-N 1 2 317.433 2.537 20 30 DFEDLO N#Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nc(C2CC2)n1 ZINC000601100843 430535507 /nfs/dbraw/zinc/53/55/07/430535507.db2.gz IMRIGNLTEVHGAL-UHFFFAOYSA-N 1 2 318.384 3.147 20 30 DFEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1-c1ccncc1 ZINC000571040924 430599046 /nfs/dbraw/zinc/59/90/46/430599046.db2.gz UQDDQTROCVFOPL-GOSISDBHSA-N 1 2 324.428 2.675 20 30 DFEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1-c1ccncc1 ZINC000571040924 430599049 /nfs/dbraw/zinc/59/90/49/430599049.db2.gz UQDDQTROCVFOPL-GOSISDBHSA-N 1 2 324.428 2.675 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 ZINC000571911869 430660261 /nfs/dbraw/zinc/66/02/61/430660261.db2.gz IEPFEFKCAMOAGZ-CYBMUJFWSA-N 1 2 303.410 2.689 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 ZINC000643773256 430630282 /nfs/dbraw/zinc/63/02/82/430630282.db2.gz OUJBFARFMWZPLL-SJORKVTESA-N 1 2 313.401 2.937 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 ZINC000643773256 430630286 /nfs/dbraw/zinc/63/02/86/430630286.db2.gz OUJBFARFMWZPLL-SJORKVTESA-N 1 2 313.401 2.937 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000571975475 430664868 /nfs/dbraw/zinc/66/48/68/430664868.db2.gz WMJSVXWGPWBBGC-RNCFNFMXSA-N 1 2 300.749 2.844 20 30 DFEDLO N#C[C@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC12CCCC2 ZINC000572089547 430670630 /nfs/dbraw/zinc/67/06/30/430670630.db2.gz PMIRSVNGXORKMB-IBGZPJMESA-N 1 2 324.428 2.641 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000555595414 430671428 /nfs/dbraw/zinc/67/14/28/430671428.db2.gz BYIINDARZASOAH-XHSDSOJGSA-N 1 2 304.438 2.997 20 30 DFEDLO C=CCCCS(=O)(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000644221252 430706709 /nfs/dbraw/zinc/70/67/09/430706709.db2.gz OSAZXTPKYKQFBM-AWEZNQCLSA-N 1 2 311.451 2.726 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000661509141 430741428 /nfs/dbraw/zinc/74/14/28/430741428.db2.gz STZQEMVLZKATAM-YLQAJVPDSA-N 1 2 313.401 2.888 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000661508835 430742498 /nfs/dbraw/zinc/74/24/98/430742498.db2.gz QZLLYKFADCXTPO-YLQAJVPDSA-N 1 2 313.401 2.888 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838606 430759616 /nfs/dbraw/zinc/75/96/16/430759616.db2.gz VJEMLEIDYNOKQZ-QGZVFWFLSA-N 1 2 301.434 2.889 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838606 430759620 /nfs/dbraw/zinc/75/96/20/430759620.db2.gz VJEMLEIDYNOKQZ-QGZVFWFLSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000644797265 430826597 /nfs/dbraw/zinc/82/65/97/430826597.db2.gz HOHUYCBWQLGWIT-UHFFFAOYSA-N 1 2 319.449 2.928 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000644797265 430826603 /nfs/dbraw/zinc/82/66/03/430826603.db2.gz HOHUYCBWQLGWIT-UHFFFAOYSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658868761 430917148 /nfs/dbraw/zinc/91/71/48/430917148.db2.gz SIWDJNYMVSENRB-GASCZTMLSA-N 1 2 313.401 2.655 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665389629 430919538 /nfs/dbraw/zinc/91/95/38/430919538.db2.gz MHFMUWYHEHJPPZ-HUUCEWRRSA-N 1 2 302.422 2.852 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000665388470 430919587 /nfs/dbraw/zinc/91/95/87/430919587.db2.gz OTBQILOEWKKWCC-XHSDSOJGSA-N 1 2 316.449 2.880 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665393401 430921218 /nfs/dbraw/zinc/92/12/18/430921218.db2.gz WHOSMNZGMLLVIL-KGLIPLIRSA-N 1 2 302.422 2.623 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665616373 430983371 /nfs/dbraw/zinc/98/33/71/430983371.db2.gz CIRCMWXVZUKOJA-MRXNPFEDSA-N 1 2 314.433 2.932 20 30 DFEDLO CC#CC[C@H](CO)Nc1cc(N(CC)c2ccccc2)nc[nH+]1 ZINC000645407202 430993754 /nfs/dbraw/zinc/99/37/54/430993754.db2.gz MKHXASRCHOORPV-OAHLLOKOSA-N 1 2 310.401 2.821 20 30 DFEDLO C=C(C)CCNC(=O)NCCn1c2ccccc2[nH+]c1CC ZINC000655585307 431054310 /nfs/dbraw/zinc/05/43/10/431054310.db2.gz VXNUWKQLOGFBBL-UHFFFAOYSA-N 1 2 300.406 2.864 20 30 DFEDLO C=CCC1(CNC(=O)N2CCc3c([nH+]cn3C)C2)CCCC1 ZINC000656210342 431311437 /nfs/dbraw/zinc/31/14/37/431311437.db2.gz WKBDVORSQRFHJE-UHFFFAOYSA-N 1 2 302.422 2.624 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000660317112 431377759 /nfs/dbraw/zinc/37/77/59/431377759.db2.gz MRRUSKJDIWRRIV-IYBDPMFKSA-N 1 2 314.433 2.655 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)nn1 ZINC000653596723 431453283 /nfs/dbraw/zinc/45/32/83/431453283.db2.gz HTPPXJMMYMGBPF-MRXNPFEDSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)nn1 ZINC000653596723 431453289 /nfs/dbraw/zinc/45/32/89/431453289.db2.gz HTPPXJMMYMGBPF-MRXNPFEDSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000660496553 431460152 /nfs/dbraw/zinc/46/01/52/431460152.db2.gz PDQRLCRROSVDPB-INIZCTEOSA-N 1 2 313.445 3.000 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)nn1 ZINC000653648270 431476185 /nfs/dbraw/zinc/47/61/85/431476185.db2.gz MTLJFBNHKRFBBY-INIZCTEOSA-N 1 2 320.824 2.985 20 30 DFEDLO C=CCCn1cc(CN2CCCC[C@H]2c2[nH+]ccn2CC)nn1 ZINC000653656761 431478376 /nfs/dbraw/zinc/47/83/76/431478376.db2.gz PVEZTYNLZGEQQC-INIZCTEOSA-N 1 2 314.437 2.798 20 30 DFEDLO C=CCCn1cc(CNc2ccc(N(CC)CC)[nH+]c2)nn1 ZINC000656768239 431510643 /nfs/dbraw/zinc/51/06/43/431510643.db2.gz GXQBYKVAIGTVBP-UHFFFAOYSA-N 1 2 300.410 2.708 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663939275 431598835 /nfs/dbraw/zinc/59/88/35/431598835.db2.gz OWNUYXMIZQXRAX-UHFFFAOYSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663939275 431598841 /nfs/dbraw/zinc/59/88/41/431598841.db2.gz OWNUYXMIZQXRAX-UHFFFAOYSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)nn1 ZINC000657326092 431677860 /nfs/dbraw/zinc/67/78/60/431677860.db2.gz SXQBXQWYXDUPQZ-INIZCTEOSA-N 1 2 316.380 2.997 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CSCc3ccccc32)nn1 ZINC000657334705 431684713 /nfs/dbraw/zinc/68/47/13/431684713.db2.gz CEEHVGOJRUPEIA-MRXNPFEDSA-N 1 2 300.431 2.932 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2COc3ccc(Cl)cc32)nn1 ZINC000657399219 431729301 /nfs/dbraw/zinc/72/93/01/431729301.db2.gz QUSBUMDGULPNPO-AWEZNQCLSA-N 1 2 304.781 2.731 20 30 DFEDLO COCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150810 431754183 /nfs/dbraw/zinc/75/41/83/431754183.db2.gz RYXVBAQQEQIBNC-MRXNPFEDSA-N 1 2 317.433 2.560 20 30 DFEDLO COCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661150810 431754190 /nfs/dbraw/zinc/75/41/90/431754190.db2.gz RYXVBAQQEQIBNC-MRXNPFEDSA-N 1 2 317.433 2.560 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000664254031 431716318 /nfs/dbraw/zinc/71/63/18/431716318.db2.gz SUBMRSWLIUQJOV-CQSZACIVSA-N 1 2 304.463 2.822 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000664254031 431716323 /nfs/dbraw/zinc/71/63/23/431716323.db2.gz SUBMRSWLIUQJOV-CQSZACIVSA-N 1 2 304.463 2.822 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567508 431812965 /nfs/dbraw/zinc/81/29/65/431812965.db2.gz RUBFPFDQMUHJEG-OCCSQVGLSA-N 1 2 314.389 2.647 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc(OC)c1O ZINC000657568841 431813561 /nfs/dbraw/zinc/81/35/61/431813561.db2.gz LQXIMBQPMITVQM-RISCZKNCSA-N 1 2 314.389 2.516 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664589619 431825450 /nfs/dbraw/zinc/82/54/50/431825450.db2.gz LCNCLJAKHCJZHM-KGLIPLIRSA-N 1 2 322.453 2.524 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CCC3)CC2)c(C#N)c1C ZINC000377395570 294036269 /nfs/dbraw/zinc/03/62/69/294036269.db2.gz WRDZJQKYGNGYNM-UHFFFAOYSA-N 1 2 301.390 2.973 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000083418051 294037742 /nfs/dbraw/zinc/03/77/42/294037742.db2.gz LYLGBVJMDUJOCN-NSHDSACASA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000083418051 294037748 /nfs/dbraw/zinc/03/77/48/294037748.db2.gz LYLGBVJMDUJOCN-NSHDSACASA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCSCC2)c(C#N)c1C ZINC000089981880 294038260 /nfs/dbraw/zinc/03/82/60/294038260.db2.gz ZNJBBMHLYWVYRQ-LLVKDONJSA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCSCC2)c(C#N)c1C ZINC000089981880 294038262 /nfs/dbraw/zinc/03/82/62/294038262.db2.gz ZNJBBMHLYWVYRQ-LLVKDONJSA-N 1 2 307.419 2.534 20 30 DFEDLO C=CC[N@H+](Cc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000292522091 335091305 /nfs/dbraw/zinc/09/13/05/335091305.db2.gz JJTVJEPEVVRUDI-SFHVURJKSA-N 1 2 319.470 2.741 20 30 DFEDLO C=CC[N@@H+](Cc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000292522091 335091306 /nfs/dbraw/zinc/09/13/06/335091306.db2.gz JJTVJEPEVVRUDI-SFHVURJKSA-N 1 2 319.470 2.741 20 30 DFEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000161905084 295407853 /nfs/dbraw/zinc/40/78/53/295407853.db2.gz IEBNKMHSIVXIBB-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1cc(C)c(C#N)c(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514617807 300263281 /nfs/dbraw/zinc/26/32/81/300263281.db2.gz YKAJZICKESPIDA-OKILXGFUSA-N 1 2 305.447 2.771 20 30 DFEDLO Cc1cc(C)c(C#N)c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000514617807 300263283 /nfs/dbraw/zinc/26/32/83/300263283.db2.gz YKAJZICKESPIDA-OKILXGFUSA-N 1 2 305.447 2.771 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000536630902 301283983 /nfs/dbraw/zinc/28/39/83/301283983.db2.gz WTWNOPKPFTUCFY-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)s1 ZINC000536630902 301283985 /nfs/dbraw/zinc/28/39/85/301283985.db2.gz WTWNOPKPFTUCFY-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)cc1 ZINC000548032180 301559903 /nfs/dbraw/zinc/55/99/03/301559903.db2.gz YXEVMZGGYZQECX-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO C[N@@H+]1CCc2ncnc(N[C@H]3CCCc4cc(C#N)ccc43)c2C1 ZINC000563522874 302080048 /nfs/dbraw/zinc/08/00/48/302080048.db2.gz OMBJSBLRPOAEPS-SFHVURJKSA-N 1 2 319.412 2.826 20 30 DFEDLO C[N@H+]1CCc2ncnc(N[C@H]3CCCc4cc(C#N)ccc43)c2C1 ZINC000563522874 302080051 /nfs/dbraw/zinc/08/00/51/302080051.db2.gz OMBJSBLRPOAEPS-SFHVURJKSA-N 1 2 319.412 2.826 20 30 DFEDLO CCC(=O)Nc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000564414793 302132856 /nfs/dbraw/zinc/13/28/56/302132856.db2.gz GYSNHZXQRZLVHG-UHFFFAOYSA-N 1 2 300.387 2.653 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NCCCCn3cc[nH+]c3)c2c1 ZINC000564625003 302144856 /nfs/dbraw/zinc/14/48/56/302144856.db2.gz MXWYKPBTZKQMER-UHFFFAOYSA-N 1 2 305.385 2.926 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000564804162 302159909 /nfs/dbraw/zinc/15/99/09/302159909.db2.gz TYEJVDJIMCYVTB-UHFFFAOYSA-N 1 2 311.345 2.569 20 30 DFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565341975 302219157 /nfs/dbraw/zinc/21/91/57/302219157.db2.gz CSVKMGUCOLVFRH-WHEQGISXSA-N 1 2 313.426 2.884 20 30 DFEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565341975 302219160 /nfs/dbraw/zinc/21/91/60/302219160.db2.gz CSVKMGUCOLVFRH-WHEQGISXSA-N 1 2 313.426 2.884 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000565596598 302232002 /nfs/dbraw/zinc/23/20/02/302232002.db2.gz IAWCJINJLXLFLT-TZMCWYRMSA-N 1 2 319.405 2.594 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000565596598 302232005 /nfs/dbraw/zinc/23/20/05/302232005.db2.gz IAWCJINJLXLFLT-TZMCWYRMSA-N 1 2 319.405 2.594 20 30 DFEDLO C[C@@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)n1cc[nH+]c1 ZINC000568047046 302413112 /nfs/dbraw/zinc/41/31/12/302413112.db2.gz DPBQUOOYEKFJPY-LBPRGKRZSA-N 1 2 309.373 2.919 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(C#N)c1 ZINC000570896872 302596484 /nfs/dbraw/zinc/59/64/84/302596484.db2.gz ZETSPLNBKOSESD-UHFFFAOYSA-N 1 2 324.428 2.798 20 30 DFEDLO Cc1cc(NCC2(CO)CC(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000571517085 302620970 /nfs/dbraw/zinc/62/09/70/302620970.db2.gz DLYFHGULKMKUKP-UHFFFAOYSA-N 1 2 307.397 2.652 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156849555 303036800 /nfs/dbraw/zinc/03/68/00/303036800.db2.gz WRDJMSWJFOVKRQ-INIZCTEOSA-N 1 2 309.417 2.953 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156849555 303036801 /nfs/dbraw/zinc/03/68/01/303036801.db2.gz WRDJMSWJFOVKRQ-INIZCTEOSA-N 1 2 309.417 2.953 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnnn1-c1ccccc1 ZINC000174265531 315962861 /nfs/dbraw/zinc/96/28/61/315962861.db2.gz FHGCLOMRFHHWOX-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(C)o1 ZINC000184651471 316171441 /nfs/dbraw/zinc/17/14/41/316171441.db2.gz QOLJPKXRBGVXHC-OAHLLOKOSA-N 1 2 300.358 2.946 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000575224900 318070971 /nfs/dbraw/zinc/07/09/71/318070971.db2.gz WCKADROZFLYYFT-CYBMUJFWSA-N 1 2 301.419 2.702 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000575224900 318070972 /nfs/dbraw/zinc/07/09/72/318070972.db2.gz WCKADROZFLYYFT-CYBMUJFWSA-N 1 2 301.419 2.702 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2[nH+]ccn21 ZINC000582709910 323720919 /nfs/dbraw/zinc/72/09/19/323720919.db2.gz IROBHAXGBNLEHT-ZANVPECISA-N 1 2 300.749 2.844 20 30 DFEDLO N#CCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000570593867 332778932 /nfs/dbraw/zinc/77/89/32/332778932.db2.gz MPSTVGSEAHYTHS-UHFFFAOYSA-N 1 2 308.385 2.697 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000297530279 331600718 /nfs/dbraw/zinc/60/07/18/331600718.db2.gz IDZGSRBTQPOCOB-MRXNPFEDSA-N 1 2 308.385 2.828 20 30 DFEDLO C#CCCCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297872666 331608586 /nfs/dbraw/zinc/60/85/86/331608586.db2.gz IMPACSGNHNAHBX-MRXNPFEDSA-N 1 2 310.401 2.944 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(C(C)(C)C)cc1 ZINC000078670448 331964623 /nfs/dbraw/zinc/96/46/23/331964623.db2.gz MFVXIFYJKKFOKD-UHFFFAOYSA-N 1 2 305.422 2.688 20 30 DFEDLO CC(C)(C)[C@@H](C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000085437219 332012311 /nfs/dbraw/zinc/01/23/11/332012311.db2.gz VLJAOOKQRFAHEX-YXMGTMDOSA-N 1 2 308.385 2.940 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cc(F)ccc3C2)CCCCC1 ZINC000091890967 332113906 /nfs/dbraw/zinc/11/39/06/332113906.db2.gz KPCULNZYEFNSAV-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCc3cc(F)ccc3C2)CCCCC1 ZINC000091890967 332113907 /nfs/dbraw/zinc/11/39/07/332113907.db2.gz KPCULNZYEFNSAV-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091438 332133795 /nfs/dbraw/zinc/13/37/95/332133795.db2.gz YTFBGKAEBFEFCY-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091438 332133797 /nfs/dbraw/zinc/13/37/97/332133797.db2.gz YTFBGKAEBFEFCY-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000363483391 332314078 /nfs/dbraw/zinc/31/40/78/332314078.db2.gz HPDRCDHQYVGFEO-SFHVURJKSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000363483391 332314079 /nfs/dbraw/zinc/31/40/79/332314079.db2.gz HPDRCDHQYVGFEO-SFHVURJKSA-N 1 2 313.376 2.544 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000293179968 335101280 /nfs/dbraw/zinc/10/12/80/335101280.db2.gz XUWSAHDQBJELDS-KRWDZBQOSA-N 1 2 307.397 2.730 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119266188 332368009 /nfs/dbraw/zinc/36/80/09/332368009.db2.gz JUDBZZQSCQKTCG-MRXNPFEDSA-N 1 2 318.442 2.607 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119266188 332368010 /nfs/dbraw/zinc/36/80/10/332368010.db2.gz JUDBZZQSCQKTCG-MRXNPFEDSA-N 1 2 318.442 2.607 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000185036819 335108078 /nfs/dbraw/zinc/10/80/78/335108078.db2.gz RLBIMVNQTLARBV-AEFFLSMTSA-N 1 2 316.445 2.778 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000293317054 335103734 /nfs/dbraw/zinc/10/37/34/335103734.db2.gz XHKNEVRCXDAIFJ-ZETCQYMHSA-N 1 2 320.261 2.664 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000293317054 335103736 /nfs/dbraw/zinc/10/37/36/335103736.db2.gz XHKNEVRCXDAIFJ-ZETCQYMHSA-N 1 2 320.261 2.664 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCc2ncc(C(C)(C)C)o2)cs1 ZINC000152237471 332696731 /nfs/dbraw/zinc/69/67/31/332696731.db2.gz YHKPTPFWRCDDCH-UHFFFAOYSA-N 1 2 308.407 2.769 20 30 DFEDLO CC[C@H](Cc1ccccc1C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570048345 332705686 /nfs/dbraw/zinc/70/56/86/332705686.db2.gz QYOFSLKQSGRMPI-QAPCUYQASA-N 1 2 301.434 2.524 20 30 DFEDLO CC[C@H](Cc1ccccc1C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570048343 332705711 /nfs/dbraw/zinc/70/57/11/332705711.db2.gz QYOFSLKQSGRMPI-CRAIPNDOSA-N 1 2 301.434 2.524 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570336334 332742235 /nfs/dbraw/zinc/74/22/35/332742235.db2.gz PTDAJHMLKSKEMA-HNNXBMFYSA-N 1 2 308.385 2.921 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC1CC1 ZINC000174697777 333089387 /nfs/dbraw/zinc/08/93/87/333089387.db2.gz UAPVVLKRGOGKTJ-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO N#CCC[N@H+](CC(=O)NCc1ccc(Cl)cc1)CC1CC1 ZINC000174697777 333089389 /nfs/dbraw/zinc/08/93/89/333089389.db2.gz UAPVVLKRGOGKTJ-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO C=CCOCCCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294247012 335122026 /nfs/dbraw/zinc/12/20/26/335122026.db2.gz RIEALRACBJYWPO-QGZVFWFLSA-N 1 2 313.401 2.940 20 30 DFEDLO Cc1nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)sc1C ZINC000178976814 333144921 /nfs/dbraw/zinc/14/49/21/333144921.db2.gz KUEWHAGNHAIFSG-UHFFFAOYSA-N 1 2 303.387 2.532 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CC#N)CC1 ZINC000526058030 333186271 /nfs/dbraw/zinc/18/62/71/333186271.db2.gz JUKVGHVMZKOWEP-ZDUSSCGKSA-N 1 2 302.426 2.865 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000294493654 335123505 /nfs/dbraw/zinc/12/35/05/335123505.db2.gz JXLJQYCCGOANHH-CQSZACIVSA-N 1 2 317.433 2.730 20 30 DFEDLO Cn1cc([C@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccc(F)cc2)cn1 ZINC000185421316 333208650 /nfs/dbraw/zinc/20/86/50/333208650.db2.gz FWNVBWCMSBFELA-CXAGYDPISA-N 1 2 311.364 2.682 20 30 DFEDLO Cc1nnc(C)n1[NH+]=Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000497222780 333223693 /nfs/dbraw/zinc/22/36/93/333223693.db2.gz PYQSDEDVQLUZGI-UHFFFAOYSA-N 1 2 322.394 2.581 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C\c2cc(OC)ccc2O)C1 ZINC000497244591 333226761 /nfs/dbraw/zinc/22/67/61/333226761.db2.gz PUIHITKVYGUKRS-UDBBHLTHSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000111256848 333328285 /nfs/dbraw/zinc/32/82/85/333328285.db2.gz QJBQETGLDZZATQ-AWEZNQCLSA-N 1 2 323.234 2.874 20 30 DFEDLO C#CCC(C)(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000185576609 335141336 /nfs/dbraw/zinc/14/13/36/335141336.db2.gz GWDGTJWZCXDCJK-AWEZNQCLSA-N 1 2 308.372 2.733 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)OCC ZINC000339516727 333527654 /nfs/dbraw/zinc/52/76/54/333527654.db2.gz IVRSLICDBVSVFA-HZPDHXFCSA-N 1 2 319.449 2.573 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Cl)cc1CC#N ZINC000563398016 333600864 /nfs/dbraw/zinc/60/08/64/333600864.db2.gz MAYDQGQNEMISLN-UHFFFAOYSA-N 1 2 302.765 2.711 20 30 DFEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411558913 333693876 /nfs/dbraw/zinc/69/38/76/333693876.db2.gz MOIPIGPITRCFQK-UHFFFAOYSA-N 1 2 303.406 2.664 20 30 DFEDLO CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339967817 333697304 /nfs/dbraw/zinc/69/73/04/333697304.db2.gz ZOPKMSWEOOHRGK-SFHVURJKSA-N 1 2 310.401 2.990 20 30 DFEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000265145207 333963435 /nfs/dbraw/zinc/96/34/35/333963435.db2.gz OVXKUGWDKJWJNU-FUKSAJPYSA-N 1 2 318.417 2.857 20 30 DFEDLO COc1cc(C)[nH+]c(CON=C2CCC3(CC2)OCCO3)c1 ZINC000271229668 334020244 /nfs/dbraw/zinc/02/02/44/334020244.db2.gz SXIWHCQURPRMQR-UHFFFAOYSA-N 1 2 306.362 2.588 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271628490 334024720 /nfs/dbraw/zinc/02/47/20/334024720.db2.gz BDHCHUJNUAULCI-MEDUHNTESA-N 1 2 309.360 2.670 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271628487 334024785 /nfs/dbraw/zinc/02/47/85/334024785.db2.gz BDHCHUJNUAULCI-BZNIZROVSA-N 1 2 309.360 2.670 20 30 DFEDLO N#CCC[C@@H](C#N)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518119 334036384 /nfs/dbraw/zinc/03/63/84/334036384.db2.gz LAEJAIOTUUTRCM-HNNXBMFYSA-N 1 2 305.385 2.674 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000272577607 334037696 /nfs/dbraw/zinc/03/76/96/334037696.db2.gz NXOKUBRZFOILBD-UHFFFAOYSA-N 1 2 305.809 2.582 20 30 DFEDLO C[C@@H](N1CC[NH+](Cc2ccc(CC#N)cc2)CC1)C(F)(F)F ZINC000343528707 335174985 /nfs/dbraw/zinc/17/49/85/335174985.db2.gz BCVKQQGRJRQFTA-CYBMUJFWSA-N 1 2 311.351 2.821 20 30 DFEDLO C[C@H](CC#N)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274791978 334066474 /nfs/dbraw/zinc/06/64/74/334066474.db2.gz OFXBFEWJNFNOPG-ZIAGYGMSSA-N 1 2 316.405 2.503 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000276340410 334075829 /nfs/dbraw/zinc/07/58/29/334075829.db2.gz GAEZCUOWVXNVIB-CYBMUJFWSA-N 1 2 302.374 2.505 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000276340410 334075830 /nfs/dbraw/zinc/07/58/30/334075830.db2.gz GAEZCUOWVXNVIB-CYBMUJFWSA-N 1 2 302.374 2.505 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414520 334077737 /nfs/dbraw/zinc/07/77/37/334077737.db2.gz WIOJKHPKCXZLRO-BLLLJJGKSA-N 1 2 321.371 2.547 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414520 334077738 /nfs/dbraw/zinc/07/77/38/334077738.db2.gz WIOJKHPKCXZLRO-BLLLJJGKSA-N 1 2 321.371 2.547 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414538 334077756 /nfs/dbraw/zinc/07/77/56/334077756.db2.gz WIOJKHPKCXZLRO-WBMJQRKESA-N 1 2 321.371 2.547 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414538 334077757 /nfs/dbraw/zinc/07/77/57/334077757.db2.gz WIOJKHPKCXZLRO-WBMJQRKESA-N 1 2 321.371 2.547 20 30 DFEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000276512714 334080620 /nfs/dbraw/zinc/08/06/20/334080620.db2.gz FCPJZCOUXLBHFM-HNNXBMFYSA-N 1 2 315.417 2.535 20 30 DFEDLO COCCSCCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000278222437 334093767 /nfs/dbraw/zinc/09/37/67/334093767.db2.gz INLXPLOWJPZZPC-UHFFFAOYSA-N 1 2 302.827 2.747 20 30 DFEDLO N#CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000279600814 334110435 /nfs/dbraw/zinc/11/04/35/334110435.db2.gz VQWLHSFAQJVSMM-UHFFFAOYSA-N 1 2 312.417 2.619 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C1=O ZINC000343606981 335176636 /nfs/dbraw/zinc/17/66/36/335176636.db2.gz RITJZIIFFHUFCJ-CYBMUJFWSA-N 1 2 319.405 2.654 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C1=O ZINC000343606981 335176637 /nfs/dbraw/zinc/17/66/37/335176637.db2.gz RITJZIIFFHUFCJ-CYBMUJFWSA-N 1 2 319.405 2.654 20 30 DFEDLO CNC(=O)COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000280180132 334114772 /nfs/dbraw/zinc/11/47/72/334114772.db2.gz GRKYHUPPHMWERE-UONOGXRCSA-N 1 2 301.390 2.614 20 30 DFEDLO N#CC1CCC(CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000281726826 334128071 /nfs/dbraw/zinc/12/80/71/334128071.db2.gz VVLJSYDPHPFLAN-UHFFFAOYSA-N 1 2 317.462 2.772 20 30 DFEDLO N#CC1CCC(CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000281726826 334128073 /nfs/dbraw/zinc/12/80/73/334128073.db2.gz VVLJSYDPHPFLAN-UHFFFAOYSA-N 1 2 317.462 2.772 20 30 DFEDLO CO[C@@H](CO[NH+]=C(N)Cc1csc(C)n1)c1ccccc1 ZINC000283393781 334140228 /nfs/dbraw/zinc/14/02/28/334140228.db2.gz NTCVTIWBRCKAFF-AWEZNQCLSA-N 1 2 305.403 2.671 20 30 DFEDLO NC(=[NH+]OCc1cc(Br)ccc1F)[C@H]1CCCO1 ZINC000283912848 334141860 /nfs/dbraw/zinc/14/18/60/334141860.db2.gz DQLSRAZRJKACGA-LLVKDONJSA-N 1 2 317.158 2.556 20 30 DFEDLO NC(=[NH+]OCc1csc(-c2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000284010555 334142166 /nfs/dbraw/zinc/14/21/66/334142166.db2.gz HSJAMQYALGFJSZ-CYBMUJFWSA-N 1 2 321.377 2.917 20 30 DFEDLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284025847 334142251 /nfs/dbraw/zinc/14/22/51/334142251.db2.gz IGUYGFXTYXHGSC-IUODEOHRSA-N 1 2 319.405 2.606 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000284371430 334143297 /nfs/dbraw/zinc/14/32/97/334143297.db2.gz LNUBAUIHNPDELD-ZDUSSCGKSA-N 1 2 321.764 2.963 20 30 DFEDLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284596468 334143932 /nfs/dbraw/zinc/14/39/32/334143932.db2.gz YGOURHRYDPYSEE-AAEUAGOBSA-N 1 2 316.361 2.574 20 30 DFEDLO CCC1CC(=O)C(=CNNc2[nH+]ccnc2C2CCC2)C(=O)C1 ZINC000286546929 334153566 /nfs/dbraw/zinc/15/35/66/334153566.db2.gz PVNOKEVKLYFTRH-UHFFFAOYSA-N 1 2 314.389 2.503 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287110938 334156332 /nfs/dbraw/zinc/15/63/32/334156332.db2.gz YLFPIPODIYCSJM-OAHLLOKOSA-N 1 2 305.447 2.893 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287110938 334156334 /nfs/dbraw/zinc/15/63/34/334156334.db2.gz YLFPIPODIYCSJM-OAHLLOKOSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000287542783 334157999 /nfs/dbraw/zinc/15/79/99/334157999.db2.gz PIDPCBPRDONZCV-SFHVURJKSA-N 1 2 310.401 2.682 20 30 DFEDLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000292064933 334184044 /nfs/dbraw/zinc/18/40/44/334184044.db2.gz KISMTZJKQGDTDG-LBPRGKRZSA-N 1 2 300.305 2.564 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000292091882 334184433 /nfs/dbraw/zinc/18/44/33/334184433.db2.gz FOHXZRLVBCFCQP-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000292091882 334184434 /nfs/dbraw/zinc/18/44/34/334184434.db2.gz FOHXZRLVBCFCQP-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000292341073 334187063 /nfs/dbraw/zinc/18/70/63/334187063.db2.gz WYZGUCNNLWLFLB-PKOBYXMFSA-N 1 2 314.429 2.843 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000292341073 334187065 /nfs/dbraw/zinc/18/70/65/334187065.db2.gz WYZGUCNNLWLFLB-PKOBYXMFSA-N 1 2 314.429 2.843 20 30 DFEDLO COCCCn1nccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292709363 334191245 /nfs/dbraw/zinc/19/12/45/334191245.db2.gz DDDREGRAVJCYCX-MJGOQNOKSA-N 1 2 324.428 2.659 20 30 DFEDLO COCCCn1nccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292709363 334191246 /nfs/dbraw/zinc/19/12/46/334191246.db2.gz DDDREGRAVJCYCX-MJGOQNOKSA-N 1 2 324.428 2.659 20 30 DFEDLO C[C@@H](O)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292890054 334193646 /nfs/dbraw/zinc/19/36/46/334193646.db2.gz YTKYKGIRMHBBKT-XPKDYRNWSA-N 1 2 313.426 2.936 20 30 DFEDLO C[C@@H](O)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292890054 334193647 /nfs/dbraw/zinc/19/36/47/334193647.db2.gz YTKYKGIRMHBBKT-XPKDYRNWSA-N 1 2 313.426 2.936 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353204922 334195162 /nfs/dbraw/zinc/19/51/62/334195162.db2.gz SXBTYQODUWTSFR-HUUCEWRRSA-N 1 2 311.372 2.884 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353204922 334195164 /nfs/dbraw/zinc/19/51/64/334195164.db2.gz SXBTYQODUWTSFR-HUUCEWRRSA-N 1 2 311.372 2.884 20 30 DFEDLO N#C[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC12CCCC2 ZINC000294438324 334209883 /nfs/dbraw/zinc/20/98/83/334209883.db2.gz MOGBAVKGGVJIAK-QGZVFWFLSA-N 1 2 307.357 2.680 20 30 DFEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCCCC1 ZINC000353207747 334211086 /nfs/dbraw/zinc/21/10/86/334211086.db2.gz ZHCXFEREYHCHQJ-UHFFFAOYSA-N 1 2 316.420 2.902 20 30 DFEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCCCC1 ZINC000353207747 334211087 /nfs/dbraw/zinc/21/10/87/334211087.db2.gz ZHCXFEREYHCHQJ-UHFFFAOYSA-N 1 2 316.420 2.902 20 30 DFEDLO N#C[C@@]1(C(=O)NCCCCNc2cccc[nH+]2)CC12CCCC2 ZINC000294654772 334212066 /nfs/dbraw/zinc/21/20/66/334212066.db2.gz RNBISBOLVPEMDG-GOSISDBHSA-N 1 2 312.417 2.864 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294753415 334213031 /nfs/dbraw/zinc/21/30/31/334213031.db2.gz IJHLLKWPWFCGHD-AWEZNQCLSA-N 1 2 311.385 2.963 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294753415 334213032 /nfs/dbraw/zinc/21/30/32/334213032.db2.gz IJHLLKWPWFCGHD-AWEZNQCLSA-N 1 2 311.385 2.963 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000297016336 334238739 /nfs/dbraw/zinc/23/87/39/334238739.db2.gz ZWKPEKQLYYAXKO-LBPRGKRZSA-N 1 2 313.361 2.516 20 30 DFEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298705624 334250925 /nfs/dbraw/zinc/25/09/25/334250925.db2.gz GDUAXGZPRYQXEO-APPDUMDISA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298705624 334250926 /nfs/dbraw/zinc/25/09/26/334250926.db2.gz GDUAXGZPRYQXEO-APPDUMDISA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000299272802 334254424 /nfs/dbraw/zinc/25/44/24/334254424.db2.gz OEYSCEQHHPEBTD-LBPRGKRZSA-N 1 2 321.450 2.752 20 30 DFEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000341989501 334503423 /nfs/dbraw/zinc/50/34/23/334503423.db2.gz LGXXYLYLRIANIZ-UHFFFAOYSA-N 1 2 321.808 2.531 20 30 DFEDLO CC#CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000342413212 334534260 /nfs/dbraw/zinc/53/42/60/334534260.db2.gz KINVHTJWVNUWMC-QGZVFWFLSA-N 1 2 310.401 2.564 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342851569 334582785 /nfs/dbraw/zinc/58/27/85/334582785.db2.gz QFVMITGXAGBEKW-HNNXBMFYSA-N 1 2 305.422 2.879 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1cnc(C)s1)CCC2 ZINC000328664683 334746687 /nfs/dbraw/zinc/74/66/87/334746687.db2.gz YREWQXQAAKUNID-LBPRGKRZSA-N 1 2 319.434 2.538 20 30 DFEDLO CC(C)[C@@H](NC(=O)c1coc(C2CCOCC2)n1)c1[nH]cc[nH+]1 ZINC000328754012 334752027 /nfs/dbraw/zinc/75/20/27/334752027.db2.gz NYVSEQNQRMNGMS-CYBMUJFWSA-N 1 2 318.377 2.994 20 30 DFEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)n(C(C)(C)C)n1 ZINC000330777566 334809962 /nfs/dbraw/zinc/80/99/62/334809962.db2.gz KJRBEPLKTBPLOV-UHFFFAOYSA-N 1 2 317.437 2.511 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2ncc(C)s2)C1=O ZINC000366906427 335339814 /nfs/dbraw/zinc/33/98/14/335339814.db2.gz YCZSBUSWRRLGDT-KBPBESRZSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2ncc(C)s2)C1=O ZINC000366906427 335339816 /nfs/dbraw/zinc/33/98/16/335339816.db2.gz YCZSBUSWRRLGDT-KBPBESRZSA-N 1 2 305.447 2.765 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000346242845 335387889 /nfs/dbraw/zinc/38/78/89/335387889.db2.gz JWYHXERMTFMLRF-LLVKDONJSA-N 1 2 323.799 2.862 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000346242845 335387890 /nfs/dbraw/zinc/38/78/90/335387890.db2.gz JWYHXERMTFMLRF-LLVKDONJSA-N 1 2 323.799 2.862 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc2ncccc21 ZINC000347690041 335521444 /nfs/dbraw/zinc/52/14/44/335521444.db2.gz LTTAXNFPNJHFQF-GUTXKFCHSA-N 1 2 308.385 2.844 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1Cl ZINC000347696623 335522328 /nfs/dbraw/zinc/52/23/28/335522328.db2.gz XBXKAXICNXMWTM-GWCFXTLKSA-N 1 2 307.781 2.569 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000348499204 335592839 /nfs/dbraw/zinc/59/28/39/335592839.db2.gz ZBOZQHWYFZPERO-VQFGERMISA-N 1 2 311.429 2.784 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000350016531 335718236 /nfs/dbraw/zinc/71/82/36/335718236.db2.gz BBYOEXPXTZAHMV-HNNXBMFYSA-N 1 2 314.364 2.705 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000329048589 335935407 /nfs/dbraw/zinc/93/54/07/335935407.db2.gz QMYCJIJUWLLUGN-KLHDSHLOSA-N 1 2 317.433 2.662 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCOC1)C1CCOCC1 ZINC000329074232 335936894 /nfs/dbraw/zinc/93/68/94/335936894.db2.gz PDIMMXURUHKYAP-HUUCEWRRSA-N 1 2 321.421 2.754 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329333483 335965371 /nfs/dbraw/zinc/96/53/71/335965371.db2.gz KGIQQCUKUVONMO-LLVKDONJSA-N 1 2 311.341 2.699 20 30 DFEDLO C[C@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCc2ccccc21 ZINC000329342232 335966105 /nfs/dbraw/zinc/96/61/05/335966105.db2.gz BAYUSXXNFVXWBA-LJQANCHMSA-N 1 2 324.428 2.907 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000329343978 335966435 /nfs/dbraw/zinc/96/64/35/335966435.db2.gz BLZNXAKXUTYLPT-DZGCQCFKSA-N 1 2 322.453 2.607 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329621996 336014835 /nfs/dbraw/zinc/01/48/35/336014835.db2.gz UNTWMJRYBHCXHP-TUKIKUTGSA-N 1 2 303.793 2.727 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](C2CC2)C1 ZINC000329651109 336028500 /nfs/dbraw/zinc/02/85/00/336028500.db2.gz KSRJUFDNHCXTAW-LSDHHAIUSA-N 1 2 302.422 2.797 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCCCS1)CCC2 ZINC000329673805 336037255 /nfs/dbraw/zinc/03/72/55/336037255.db2.gz VBGOMMSUBVKGKS-KBPBESRZSA-N 1 2 322.478 2.858 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329684711 336044347 /nfs/dbraw/zinc/04/43/47/336044347.db2.gz UHUHSRCLTSBGHZ-DOMZBBRYSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329684711 336044348 /nfs/dbraw/zinc/04/43/48/336044348.db2.gz UHUHSRCLTSBGHZ-DOMZBBRYSA-N 1 2 323.437 2.689 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C1CCCC1 ZINC000329735431 336075489 /nfs/dbraw/zinc/07/54/89/336075489.db2.gz RYRUCLOVYRPBHQ-CZUORRHYSA-N 1 2 302.422 2.836 20 30 DFEDLO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1C ZINC000329769765 336079812 /nfs/dbraw/zinc/07/98/12/336079812.db2.gz ICISYTPIXVQMNU-HZSPNIEDSA-N 1 2 318.465 2.997 20 30 DFEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329784520 336081357 /nfs/dbraw/zinc/08/13/57/336081357.db2.gz WCMQWEJRCYNWOZ-FHSNZYRGSA-N 1 2 319.368 2.533 20 30 DFEDLO C[C@H](c1cnccn1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329784520 336081358 /nfs/dbraw/zinc/08/13/58/336081358.db2.gz WCMQWEJRCYNWOZ-FHSNZYRGSA-N 1 2 319.368 2.533 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1(C)C ZINC000329819502 336085871 /nfs/dbraw/zinc/08/58/71/336085871.db2.gz XTODGFWIBBTHIZ-ZIAGYGMSSA-N 1 2 324.465 2.695 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1(C)C ZINC000329819502 336085873 /nfs/dbraw/zinc/08/58/73/336085873.db2.gz XTODGFWIBBTHIZ-ZIAGYGMSSA-N 1 2 324.465 2.695 20 30 DFEDLO O=C(N[C@H]1CCCc2sccc21)N1CCn2cc[nH+]c2C1 ZINC000329881111 336091956 /nfs/dbraw/zinc/09/19/56/336091956.db2.gz OBLHAZVMWOINTM-LBPRGKRZSA-N 1 2 302.403 2.752 20 30 DFEDLO CC(C)(C)C1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329906230 336094047 /nfs/dbraw/zinc/09/40/47/336094047.db2.gz KAJUKMOSENMRTN-CQSZACIVSA-N 1 2 304.438 2.870 20 30 DFEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C1CCC2(CC2)CC1 ZINC000329959232 336100060 /nfs/dbraw/zinc/10/00/60/336100060.db2.gz QNBBPQFRAGFLIO-ZDUSSCGKSA-N 1 2 302.422 2.672 20 30 DFEDLO O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCn2cc[nH+]c2C1 ZINC000330006018 336105086 /nfs/dbraw/zinc/10/50/86/336105086.db2.gz CMIBBENQBBTUDD-HNNXBMFYSA-N 1 2 314.364 2.829 20 30 DFEDLO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330009887 336105371 /nfs/dbraw/zinc/10/53/71/336105371.db2.gz HRHCQRCOGDCFAL-IRXDYDNUSA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330009887 336105373 /nfs/dbraw/zinc/10/53/73/336105373.db2.gz HRHCQRCOGDCFAL-IRXDYDNUSA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330217019 336125406 /nfs/dbraw/zinc/12/54/06/336125406.db2.gz IDVAIKBVYJAPEF-AWEZNQCLSA-N 1 2 318.421 2.536 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCOC2(CCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330217019 336125407 /nfs/dbraw/zinc/12/54/07/336125407.db2.gz IDVAIKBVYJAPEF-AWEZNQCLSA-N 1 2 318.421 2.536 20 30 DFEDLO C[C@]12CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C[C@H]1C2(F)F ZINC000330226872 336126787 /nfs/dbraw/zinc/12/67/87/336126787.db2.gz UQYLNZHOFXXLIB-ZOWXZIJZSA-N 1 2 324.375 2.652 20 30 DFEDLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cncnc1 ZINC000330284793 336133494 /nfs/dbraw/zinc/13/34/94/336133494.db2.gz XZSOFQURWCDOTC-ZDUSSCGKSA-N 1 2 311.389 2.601 20 30 DFEDLO CC(C)(C)c1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000330293758 336136264 /nfs/dbraw/zinc/13/62/64/336136264.db2.gz DWULGHADFFAEOP-SNVBAGLBSA-N 1 2 304.419 2.957 20 30 DFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCSC1 ZINC000330294006 336136345 /nfs/dbraw/zinc/13/63/45/336136345.db2.gz IEZZJVFAIMZFIA-LBPRGKRZSA-N 1 2 307.419 2.568 20 30 DFEDLO C=C[C@@H](C)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000331462239 336136484 /nfs/dbraw/zinc/13/64/84/336136484.db2.gz FWSYJHVXBAAKAA-CQSZACIVSA-N 1 2 302.422 2.836 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000331542126 336139710 /nfs/dbraw/zinc/13/97/10/336139710.db2.gz NCNYKMPLWFLYDC-CQSZACIVSA-N 1 2 315.421 2.631 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000331542126 336139711 /nfs/dbraw/zinc/13/97/11/336139711.db2.gz NCNYKMPLWFLYDC-CQSZACIVSA-N 1 2 315.421 2.631 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331539688 336139716 /nfs/dbraw/zinc/13/97/16/336139716.db2.gz YHMOIHQQBVCZTG-KKUMJFAQSA-N 1 2 318.421 2.628 20 30 DFEDLO Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C#N)sc2c1 ZINC000331559995 336140249 /nfs/dbraw/zinc/14/02/49/336140249.db2.gz XWRZNFFJOCJFMZ-RYUDHWBXSA-N 1 2 314.414 2.825 20 30 DFEDLO CCc1onc(C)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330335557 336167984 /nfs/dbraw/zinc/16/79/84/336167984.db2.gz RROFXPSOVVKVCN-BXUZGUMPSA-N 1 2 318.377 2.504 20 30 DFEDLO C[C@@H]1CN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000332392060 336170859 /nfs/dbraw/zinc/17/08/59/336170859.db2.gz MIROABVXIBZBIL-LJISPDSOSA-N 1 2 300.406 2.799 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330341581 336172622 /nfs/dbraw/zinc/17/26/22/336172622.db2.gz ZKPJSYYWSLAQHZ-CTASWTNQSA-N 1 2 320.437 2.723 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3C#N)C2=O)c1 ZINC000333679290 336208037 /nfs/dbraw/zinc/20/80/37/336208037.db2.gz ZNLACCJAEFYUNK-BPUTZDHNSA-N 1 2 315.392 2.911 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846812 336210962 /nfs/dbraw/zinc/21/09/62/336210962.db2.gz OMFDJPSGLROGKT-DYVFJYSZSA-N 1 2 316.405 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@]3(C#N)CC34CCCC4)n2)C1 ZINC000333846812 336210963 /nfs/dbraw/zinc/21/09/63/336210963.db2.gz OMFDJPSGLROGKT-DYVFJYSZSA-N 1 2 316.405 2.577 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352456712 336220173 /nfs/dbraw/zinc/22/01/73/336220173.db2.gz ACKFXFNKWPYPCC-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352456713 336220203 /nfs/dbraw/zinc/22/02/03/336220203.db2.gz ACKFXFNKWPYPCC-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458832 336220528 /nfs/dbraw/zinc/22/05/28/336220528.db2.gz PQHKUIMDCXPKQP-LLVKDONJSA-N 1 2 309.772 2.995 20 30 DFEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352466397 336220708 /nfs/dbraw/zinc/22/07/08/336220708.db2.gz CLTRFQFLIWJXEW-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352481977 336221396 /nfs/dbraw/zinc/22/13/96/336221396.db2.gz FWUFHYCUXGKWLM-MRXNPFEDSA-N 1 2 317.408 2.924 20 30 DFEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000352484169 336221442 /nfs/dbraw/zinc/22/14/42/336221442.db2.gz MJOJLVVDKJHPOY-CQSZACIVSA-N 1 2 321.783 2.773 20 30 DFEDLO C#Cc1cccc(NC(=O)CN(C)c2[nH]c3ccccc3[nH+]2)c1 ZINC000302664290 336364049 /nfs/dbraw/zinc/36/40/49/336364049.db2.gz MFQZABFREZHILG-UHFFFAOYSA-N 1 2 304.353 2.619 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C(C)C)C1=O ZINC000352902320 336375387 /nfs/dbraw/zinc/37/53/87/336375387.db2.gz MHBOGCNSJAWRSG-KRWDZBQOSA-N 1 2 318.465 2.851 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C(C)C)C1=O ZINC000352902320 336375388 /nfs/dbraw/zinc/37/53/88/336375388.db2.gz MHBOGCNSJAWRSG-KRWDZBQOSA-N 1 2 318.465 2.851 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352921685 336377071 /nfs/dbraw/zinc/37/70/71/336377071.db2.gz KEGGVFHZELMOOP-UHFFFAOYSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352921685 336377072 /nfs/dbraw/zinc/37/70/72/336377072.db2.gz KEGGVFHZELMOOP-UHFFFAOYSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC[N@@H+]1CCOC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC000352921551 336377117 /nfs/dbraw/zinc/37/71/17/336377117.db2.gz JLUDRPJVCZFTHH-KRWDZBQOSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C(C)CN(CC[N@H+]1CCOC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC000352921551 336377118 /nfs/dbraw/zinc/37/71/18/336377118.db2.gz JLUDRPJVCZFTHH-KRWDZBQOSA-N 1 2 320.481 2.563 20 30 DFEDLO C=CC[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112701512 336399618 /nfs/dbraw/zinc/39/96/18/336399618.db2.gz ZQSAKUDIEAKIPV-GFCCVEGCSA-N 1 2 304.419 2.663 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354438037 336470691 /nfs/dbraw/zinc/47/06/91/336470691.db2.gz KYVZCTGDUZAZJW-GJZGRUSLSA-N 1 2 319.453 2.543 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354465445 336471699 /nfs/dbraw/zinc/47/16/99/336471699.db2.gz HOSVYPYZJNVUFD-CYBMUJFWSA-N 1 2 310.401 2.922 20 30 DFEDLO C=CCOCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000354706586 336479291 /nfs/dbraw/zinc/47/92/91/336479291.db2.gz MXAMWODHTGQCPD-UHFFFAOYSA-N 1 2 309.435 2.516 20 30 DFEDLO C=CCOCC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000356028500 336532888 /nfs/dbraw/zinc/53/28/88/336532888.db2.gz IYZNSSAECLQMOK-AWEZNQCLSA-N 1 2 303.406 2.910 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000356445488 336550159 /nfs/dbraw/zinc/55/01/59/336550159.db2.gz DNUFOUAEIFKOHO-UHFFFAOYSA-N 1 2 310.401 2.980 20 30 DFEDLO C=CC1CC[NH+](Cc2csc(N(CCOC)C(C)=O)n2)CC1 ZINC000356582207 336555246 /nfs/dbraw/zinc/55/52/46/336555246.db2.gz SNDJTVNMWHSVMX-UHFFFAOYSA-N 1 2 323.462 2.540 20 30 DFEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCn2cc[nH+]c2C1 ZINC000359251265 336664476 /nfs/dbraw/zinc/66/44/76/336664476.db2.gz IDILCYBSCFLWBY-ZDUSSCGKSA-N 1 2 300.410 2.584 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000360070395 336700425 /nfs/dbraw/zinc/70/04/25/336700425.db2.gz HQFCKYLSRIDYNB-YSVLISHTSA-N 1 2 323.400 2.925 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sccc2c1=O ZINC000360716892 336720102 /nfs/dbraw/zinc/72/01/02/336720102.db2.gz ARKKKSLWJABXDV-UHFFFAOYSA-N 1 2 318.427 2.670 20 30 DFEDLO C#CCCCCNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367371314 336724448 /nfs/dbraw/zinc/72/44/48/336724448.db2.gz KIPWWHVIQTVMRI-UHFFFAOYSA-N 1 2 310.401 2.690 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362148589 336785799 /nfs/dbraw/zinc/78/57/99/336785799.db2.gz ATCJTXDEWVEYGP-CYBMUJFWSA-N 1 2 320.437 2.619 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369567800 336867378 /nfs/dbraw/zinc/86/73/78/336867378.db2.gz GRHLOMBBVHHRHV-CABCVRRESA-N 1 2 320.437 2.533 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC1 ZINC000418141247 336896523 /nfs/dbraw/zinc/89/65/23/336896523.db2.gz KUMLVVCVPBYASS-UHFFFAOYSA-N 1 2 323.190 2.961 20 30 DFEDLO C#CCCCCC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000371406905 336903078 /nfs/dbraw/zinc/90/30/78/336903078.db2.gz OTMUIPQNRSTZAM-UHFFFAOYSA-N 1 2 324.428 2.842 20 30 DFEDLO Cc1cncc(-c2nc(C[NH+]3CCC(CCC#N)CC3)no2)c1 ZINC000582357714 336941871 /nfs/dbraw/zinc/94/18/71/336941871.db2.gz KQRMEMQMVXAHTH-UHFFFAOYSA-N 1 2 311.389 2.956 20 30 DFEDLO Cc1ccc(CNC(=O)c2cccc(C[NH2+]CCC#N)c2)cc1 ZINC000583688450 336951270 /nfs/dbraw/zinc/95/12/70/336951270.db2.gz JWURBOAFFHFODC-UHFFFAOYSA-N 1 2 307.397 2.928 20 30 DFEDLO C#CCOc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000375934362 337023657 /nfs/dbraw/zinc/02/36/57/337023657.db2.gz VLPYYWHWTHVRTQ-UHFFFAOYSA-N 1 2 323.396 2.504 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000376412581 337032898 /nfs/dbraw/zinc/03/28/98/337032898.db2.gz ILEXPFYYYCBMAY-HNNXBMFYSA-N 1 2 320.437 2.588 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000376999622 337045003 /nfs/dbraw/zinc/04/50/03/337045003.db2.gz AAWOGJQASOCSCH-AWEZNQCLSA-N 1 2 303.410 2.560 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000377387926 337051631 /nfs/dbraw/zinc/05/16/31/337051631.db2.gz CCVGQLBGDSCVLA-ZIAGYGMSSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000377387926 337051630 /nfs/dbraw/zinc/05/16/30/337051630.db2.gz CCVGQLBGDSCVLA-ZIAGYGMSSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CC1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000378253589 337068823 /nfs/dbraw/zinc/06/88/23/337068823.db2.gz RAOILMONCNEJGM-HNNXBMFYSA-N 1 2 302.422 2.677 20 30 DFEDLO C#CC[C@H](NC(=O)N1CCn2c(C)c(C)[nH+]c2C1)c1ccccc1 ZINC000378275514 337069191 /nfs/dbraw/zinc/06/91/91/337069191.db2.gz HRPSDRZDLWDUAW-KRWDZBQOSA-N 1 2 322.412 2.790 20 30 DFEDLO Cc1ccc2c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)coc2c1C ZINC000582522069 337099052 /nfs/dbraw/zinc/09/90/52/337099052.db2.gz CEPZYAMPXIYIJE-SFHVURJKSA-N 1 2 313.401 2.552 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000582592981 337111026 /nfs/dbraw/zinc/11/10/26/337111026.db2.gz RCGJEGBWPAUUSP-MRXNPFEDSA-N 1 2 310.401 2.596 20 30 DFEDLO CCCc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176266061 337151603 /nfs/dbraw/zinc/15/16/03/337151603.db2.gz HBXQEMFQEIRWJY-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO CCCc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000176266061 337151604 /nfs/dbraw/zinc/15/16/04/337151604.db2.gz HBXQEMFQEIRWJY-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO CCCc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000176266061 337151605 /nfs/dbraw/zinc/15/16/05/337151605.db2.gz HBXQEMFQEIRWJY-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO CC[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000179245284 337168492 /nfs/dbraw/zinc/16/84/92/337168492.db2.gz IKMRGLQMBFIROY-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000179245284 337168493 /nfs/dbraw/zinc/16/84/93/337168493.db2.gz IKMRGLQMBFIROY-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000180987424 337179109 /nfs/dbraw/zinc/17/91/09/337179109.db2.gz AAFAGPVJKRQREB-CABCVRRESA-N 1 2 302.422 2.704 20 30 DFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000182144359 337186805 /nfs/dbraw/zinc/18/68/05/337186805.db2.gz KCDGYILOORZLLX-OLZOCXBDSA-N 1 2 310.357 2.690 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184051971 337196916 /nfs/dbraw/zinc/19/69/16/337196916.db2.gz UEDJDQJRCSGEGR-UHFFFAOYSA-N 1 2 320.396 2.807 20 30 DFEDLO Fc1ccc(C#CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189647364 337281078 /nfs/dbraw/zinc/28/10/78/337281078.db2.gz XYMVJROSXNYKSP-UHFFFAOYSA-N 1 2 324.403 2.600 20 30 DFEDLO C=CC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000111476710 337389715 /nfs/dbraw/zinc/38/97/15/337389715.db2.gz DIIPUCWFEIHZLF-UHFFFAOYSA-N 1 2 310.401 2.980 20 30 DFEDLO C=CC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000111470210 337389718 /nfs/dbraw/zinc/38/97/18/337389718.db2.gz ZPEMKSZIVBVFBX-UHFFFAOYSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278781 337477339 /nfs/dbraw/zinc/47/73/39/337477339.db2.gz HQCGTZRFISRQPI-SUMWQHHRSA-N 1 2 314.385 2.658 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278779 337477414 /nfs/dbraw/zinc/47/74/14/337477414.db2.gz HQCGTZRFISRQPI-DYVFJYSZSA-N 1 2 314.385 2.658 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCC(C(=O)[O-])CC1)C(C)C ZINC000263472748 337629971 /nfs/dbraw/zinc/62/99/71/337629971.db2.gz LTEDAWLOKBLHHH-OFLPRAFFSA-N 1 2 308.466 2.918 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)nn1 ZINC000424177351 337798415 /nfs/dbraw/zinc/79/84/15/337798415.db2.gz ZXLBVZWAZUDVLO-UHFFFAOYSA-N 1 2 314.286 2.912 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)nn1 ZINC000424291650 337816324 /nfs/dbraw/zinc/81/63/24/337816324.db2.gz DZPHLKOUBHAGOQ-GFCCVEGCSA-N 1 2 303.385 2.520 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057906536 337867186 /nfs/dbraw/zinc/86/71/86/337867186.db2.gz MGQCUYNGHWYXNK-UHFFFAOYSA-N 1 2 313.445 2.704 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000424586562 337877614 /nfs/dbraw/zinc/87/76/14/337877614.db2.gz FJZPNOFJVGDQCG-UHFFFAOYSA-N 1 2 305.422 2.538 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000424665058 337944700 /nfs/dbraw/zinc/94/47/00/337944700.db2.gz KYBIBRNKNALJTR-OAHLLOKOSA-N 1 2 301.434 2.889 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000516057044 338003194 /nfs/dbraw/zinc/00/31/94/338003194.db2.gz QQBGERYYOVIPRZ-MRXNPFEDSA-N 1 2 307.846 2.899 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000516057044 338003195 /nfs/dbraw/zinc/00/31/95/338003195.db2.gz QQBGERYYOVIPRZ-MRXNPFEDSA-N 1 2 307.846 2.899 20 30 DFEDLO CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425867818 338017949 /nfs/dbraw/zinc/01/79/49/338017949.db2.gz RYDHLBKWRKTVPH-NUEKZKHPSA-N 1 2 323.400 2.833 20 30 DFEDLO N#CCCN(CCCC1CCCCC1)CC[NH+]1CCOCC1 ZINC000428460769 338053224 /nfs/dbraw/zinc/05/32/24/338053224.db2.gz HQMTUCTZGZVWDU-UHFFFAOYSA-N 1 2 307.482 2.895 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000433313975 338191809 /nfs/dbraw/zinc/19/18/09/338191809.db2.gz SKYYWWTYFDZCQG-LBPRGKRZSA-N 1 2 307.825 2.999 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000433313975 338191810 /nfs/dbraw/zinc/19/18/10/338191810.db2.gz SKYYWWTYFDZCQG-LBPRGKRZSA-N 1 2 307.825 2.999 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000433314443 338191856 /nfs/dbraw/zinc/19/18/56/338191856.db2.gz ZPFCNYPXAIYCCE-HNNXBMFYSA-N 1 2 303.381 2.803 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000433314443 338191857 /nfs/dbraw/zinc/19/18/57/338191857.db2.gz ZPFCNYPXAIYCCE-HNNXBMFYSA-N 1 2 303.381 2.803 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000433324002 338192541 /nfs/dbraw/zinc/19/25/41/338192541.db2.gz AWAPKTXFPPJKPE-HNNXBMFYSA-N 1 2 303.381 2.803 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000433324002 338192542 /nfs/dbraw/zinc/19/25/42/338192542.db2.gz AWAPKTXFPPJKPE-HNNXBMFYSA-N 1 2 303.381 2.803 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434274229 338213876 /nfs/dbraw/zinc/21/38/76/338213876.db2.gz BUQIASXSQGMZCQ-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434274229 338213877 /nfs/dbraw/zinc/21/38/77/338213877.db2.gz BUQIASXSQGMZCQ-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435417182 338239645 /nfs/dbraw/zinc/23/96/45/338239645.db2.gz RJEWZCNVQOFNJX-CYBMUJFWSA-N 1 2 302.422 2.683 20 30 DFEDLO O[C@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438061276 338329321 /nfs/dbraw/zinc/32/93/21/338329321.db2.gz JOMXDHOGOJPGHM-CQSZACIVSA-N 1 2 301.283 2.566 20 30 DFEDLO O[C@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438061276 338329322 /nfs/dbraw/zinc/32/93/22/338329322.db2.gz JOMXDHOGOJPGHM-CQSZACIVSA-N 1 2 301.283 2.566 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000449242741 338605999 /nfs/dbraw/zinc/60/59/99/338605999.db2.gz YXJTTXGJWSSJDC-XJKSGUPXSA-N 1 2 319.836 2.958 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000450145410 338668841 /nfs/dbraw/zinc/66/88/41/338668841.db2.gz JOBQAXNODFKDLB-CXAGYDPISA-N 1 2 317.820 2.534 20 30 DFEDLO C=CCC1(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCCC1 ZINC000450848652 338708295 /nfs/dbraw/zinc/70/82/95/338708295.db2.gz RRASLBBIABCHTC-GOEBONIOSA-N 1 2 317.433 2.893 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2CCC(F)(C#N)CC2)c1Cl ZINC000450972988 338715187 /nfs/dbraw/zinc/71/51/87/338715187.db2.gz JQJDGEJAHIVMBB-UHFFFAOYSA-N 1 2 310.756 2.954 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000455309118 338889927 /nfs/dbraw/zinc/88/99/27/338889927.db2.gz KTNMUSQEKPLARK-ZDUSSCGKSA-N 1 2 304.438 2.761 20 30 DFEDLO CN(C(=O)NCC(C)(C)C#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458656571 339002757 /nfs/dbraw/zinc/00/27/57/339002757.db2.gz QBAKNURWXFVBLQ-AWEZNQCLSA-N 1 2 311.389 2.690 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC(C)(C)CC#N)C2 ZINC000459262029 339018273 /nfs/dbraw/zinc/01/82/73/339018273.db2.gz SZZSAKSEBNIDOI-UHFFFAOYSA-N 1 2 317.437 2.551 20 30 DFEDLO C=CCN(CCc1ccco1)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000486620184 339730017 /nfs/dbraw/zinc/73/00/17/339730017.db2.gz RMUVJAXFIXVGAY-UHFFFAOYSA-N 1 2 315.421 2.889 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1 ZINC000491181165 339852225 /nfs/dbraw/zinc/85/22/25/339852225.db2.gz QLXAKUWFUDDSQP-OAHLLOKOSA-N 1 2 310.328 2.621 20 30 DFEDLO C#CCN(C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000491744303 339878047 /nfs/dbraw/zinc/87/80/47/339878047.db2.gz YUZBYBFWZFBJER-ZFWWWQNUSA-N 1 2 300.406 2.866 20 30 DFEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000505533704 340170475 /nfs/dbraw/zinc/17/04/75/340170475.db2.gz RRKTZBDQHXFDTB-GFCCVEGCSA-N 1 2 323.183 2.961 20 30 DFEDLO C#CC[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000032514284 340715138 /nfs/dbraw/zinc/71/51/38/340715138.db2.gz QQDFWVQPJUCPKN-SFHVURJKSA-N 1 2 308.381 2.906 20 30 DFEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000546027890 341152024 /nfs/dbraw/zinc/15/20/24/341152024.db2.gz LTSXLIUCSMTKAE-UHFFFAOYSA-N 1 2 307.463 2.932 20 30 DFEDLO C#CCNC(=O)c1ccccc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000133345412 341173459 /nfs/dbraw/zinc/17/34/59/341173459.db2.gz QVDHAMIHPWAQHI-UHFFFAOYSA-N 1 2 318.380 2.618 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC000547652686 341225496 /nfs/dbraw/zinc/22/54/96/341225496.db2.gz WLEJJHQKUGCOLF-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC000547652686 341225497 /nfs/dbraw/zinc/22/54/97/341225497.db2.gz WLEJJHQKUGCOLF-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](CC)CC#N ZINC000564342826 341248813 /nfs/dbraw/zinc/24/88/13/341248813.db2.gz HXGSUQJCDYVVLK-ZBFHGGJFSA-N 1 2 317.433 2.934 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)CC1CC1 ZINC000081043233 341278713 /nfs/dbraw/zinc/27/87/13/341278713.db2.gz IXAAMXISWCLXOU-UHFFFAOYSA-N 1 2 319.836 2.624 20 30 DFEDLO N#CCC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)CC1CC1 ZINC000081043233 341278714 /nfs/dbraw/zinc/27/87/14/341278714.db2.gz IXAAMXISWCLXOU-UHFFFAOYSA-N 1 2 319.836 2.624 20 30 DFEDLO CCc1nnc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000548865312 341278863 /nfs/dbraw/zinc/27/88/63/341278863.db2.gz YARXXNOVWGBGNC-ZDUSSCGKSA-N 1 2 311.389 2.645 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000550797093 341323228 /nfs/dbraw/zinc/32/32/28/341323228.db2.gz KYDJNPPMKQFOOE-BNOWGMLFSA-N 1 2 304.419 2.526 20 30 DFEDLO CSc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000555483177 341483535 /nfs/dbraw/zinc/48/35/35/341483535.db2.gz XURBYAPOMSNYSP-AWEZNQCLSA-N 1 2 311.838 2.636 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000567707095 341628861 /nfs/dbraw/zinc/62/88/61/341628861.db2.gz JMLHNETZOQBYIA-AEFFLSMTSA-N 1 2 320.396 2.623 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000577805098 341937706 /nfs/dbraw/zinc/93/77/06/341937706.db2.gz BVSZDWCCMPEJTM-QGZVFWFLSA-N 1 2 315.348 2.659 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343265828 500571347 /nfs/dbraw/zinc/57/13/47/500571347.db2.gz CNODCYRIDRABKK-UHFFFAOYSA-N 1 2 314.298 2.540 20 30 DFEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000329516445 500914425 /nfs/dbraw/zinc/91/44/25/500914425.db2.gz OWZPFPDALLTTRI-BFHYXJOUSA-N 1 2 306.410 2.666 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000302028572 527232155 /nfs/dbraw/zinc/23/21/55/527232155.db2.gz BAHGMWWQXDIZHO-GOSISDBHSA-N 1 2 315.417 2.530 20 30 DFEDLO CCO[C@H]1C[C@@](O)(CNc2cc(C)[nH+]c(C)c2C#N)C1(C)C ZINC000302670528 528125812 /nfs/dbraw/zinc/12/58/12/528125812.db2.gz DMBQFJCZJDBYIF-DOTOQJQBSA-N 1 2 303.406 2.548 20 30 DFEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(F)cc3C#N)CC2)S1 ZINC000301755587 529129537 /nfs/dbraw/zinc/12/95/37/529129537.db2.gz XMPQYDDHQOTRMU-UHFFFAOYSA-N 1 2 318.421 2.701 20 30 DFEDLO C=C[C@H](CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000681889267 545744591 /nfs/dbraw/zinc/74/45/91/545744591.db2.gz JZKOYJSGSKVVBP-NVXWUHKLSA-N 1 2 324.428 2.585 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000685871883 546402852 /nfs/dbraw/zinc/40/28/52/546402852.db2.gz CWFRHLCBIZONQN-CABCVRRESA-N 1 2 305.422 2.938 20 30 DFEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823883635 608466544 /nfs/dbraw/zinc/46/65/44/608466544.db2.gz WDYCZWYBHUTKDE-UHFFFAOYSA-N 1 2 301.781 2.708 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823883635 608466546 /nfs/dbraw/zinc/46/65/46/608466546.db2.gz WDYCZWYBHUTKDE-UHFFFAOYSA-N 1 2 301.781 2.708 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824249961 608679408 /nfs/dbraw/zinc/67/94/08/608679408.db2.gz ZWVDOAVDEZHCCG-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824249961 608679410 /nfs/dbraw/zinc/67/94/10/608679410.db2.gz ZWVDOAVDEZHCCG-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330932319 529401476 /nfs/dbraw/zinc/40/14/76/529401476.db2.gz XSDOKYXKGVRKQH-DGCLKSJQSA-N 1 2 321.446 2.923 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330932319 529401480 /nfs/dbraw/zinc/40/14/80/529401480.db2.gz XSDOKYXKGVRKQH-DGCLKSJQSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000321563632 231203825 /nfs/dbraw/zinc/20/38/25/231203825.db2.gz YFDXTTLSIHOKLT-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000321563632 231203828 /nfs/dbraw/zinc/20/38/28/231203828.db2.gz YFDXTTLSIHOKLT-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO CCc1nc(C#N)cc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000596188759 398352249 /nfs/dbraw/zinc/35/22/49/398352249.db2.gz BBAYLAAJEXXZFL-UHFFFAOYSA-N 1 2 324.432 2.804 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000596240114 398365631 /nfs/dbraw/zinc/36/56/31/398365631.db2.gz UOZXQDBOWFLPRA-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000008093108 398369872 /nfs/dbraw/zinc/36/98/72/398369872.db2.gz GJFODUZZFHPJNM-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000008093108 398369875 /nfs/dbraw/zinc/36/98/75/398369875.db2.gz GJFODUZZFHPJNM-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000578140539 398370792 /nfs/dbraw/zinc/37/07/92/398370792.db2.gz MGOWZDKDVWYRLA-GHMZBOCLSA-N 1 2 311.332 2.897 20 30 DFEDLO CC(C)Oc1ccc(Cl)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578754331 398375746 /nfs/dbraw/zinc/37/57/46/398375746.db2.gz YONJKIRXMKSSLL-MRXNPFEDSA-N 1 2 323.824 2.701 20 30 DFEDLO Cc1nc(C[NH2+]C[C@H](C#N)CCC#N)sc1Br ZINC000579453529 398380611 /nfs/dbraw/zinc/38/06/11/398380611.db2.gz LKEFBZLLUHTYAN-VIFPVBQESA-N 1 2 313.224 2.747 20 30 DFEDLO COc1cc[nH+]c(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000579077427 398377874 /nfs/dbraw/zinc/37/78/74/398377874.db2.gz VPUHCUCSAYAXNA-IAGOWNOFSA-N 1 2 301.390 2.517 20 30 DFEDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066924 398378288 /nfs/dbraw/zinc/37/82/88/398378288.db2.gz VLHDJYCCYBFSJX-HNNXBMFYSA-N 1 2 323.396 2.765 20 30 DFEDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592066924 398378291 /nfs/dbraw/zinc/37/82/91/398378291.db2.gz VLHDJYCCYBFSJX-HNNXBMFYSA-N 1 2 323.396 2.765 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469281 398379575 /nfs/dbraw/zinc/37/95/75/398379575.db2.gz VKSBCFIZWBYHBD-HOTGVXAUSA-N 1 2 301.434 2.904 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469281 398379577 /nfs/dbraw/zinc/37/95/77/398379577.db2.gz VKSBCFIZWBYHBD-HOTGVXAUSA-N 1 2 301.434 2.904 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000579589148 398381818 /nfs/dbraw/zinc/38/18/18/398381818.db2.gz ZBXAJSXIZUGQJP-MRXNPFEDSA-N 1 2 307.846 2.899 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000579589148 398381823 /nfs/dbraw/zinc/38/18/23/398381823.db2.gz ZBXAJSXIZUGQJP-MRXNPFEDSA-N 1 2 307.846 2.899 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000579906870 398383892 /nfs/dbraw/zinc/38/38/92/398383892.db2.gz SQBZUZIEMKKYJG-LSDHHAIUSA-N 1 2 302.422 2.819 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066559929 398384458 /nfs/dbraw/zinc/38/44/58/398384458.db2.gz URJBLFOYYDVQPH-INIZCTEOSA-N 1 2 307.459 2.787 20 30 DFEDLO C=CC[N@H+](Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066559929 398384461 /nfs/dbraw/zinc/38/44/61/398384461.db2.gz URJBLFOYYDVQPH-INIZCTEOSA-N 1 2 307.459 2.787 20 30 DFEDLO CC[C@@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581313597 398389868 /nfs/dbraw/zinc/38/98/68/398389868.db2.gz MAQHAIJYATZKQP-GDBMZVCRSA-N 1 2 305.447 2.517 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000592145437 398391447 /nfs/dbraw/zinc/39/14/47/398391447.db2.gz UZHQQIHNMBLDKR-AWEZNQCLSA-N 1 2 305.428 2.722 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000592145437 398391451 /nfs/dbraw/zinc/39/14/51/398391451.db2.gz UZHQQIHNMBLDKR-AWEZNQCLSA-N 1 2 305.428 2.722 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 ZINC000581373183 398390608 /nfs/dbraw/zinc/39/06/08/398390608.db2.gz LUBQRKFHEPBINJ-IBGZPJMESA-N 1 2 309.413 2.732 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000592148380 398392302 /nfs/dbraw/zinc/39/23/02/398392302.db2.gz UOOZBIQCGFDKKJ-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000592148380 398392308 /nfs/dbraw/zinc/39/23/08/398392308.db2.gz UOOZBIQCGFDKKJ-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO Cc1c2cc(F)ccc2sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581669825 398392674 /nfs/dbraw/zinc/39/26/74/398392674.db2.gz IJOLMBPZDYNQTH-INIZCTEOSA-N 1 2 319.405 2.923 20 30 DFEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147148 398392713 /nfs/dbraw/zinc/39/27/13/398392713.db2.gz MDSXIUUFHXROFP-BZNIZROVSA-N 1 2 320.343 2.843 20 30 DFEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147148 398392714 /nfs/dbraw/zinc/39/27/14/398392714.db2.gz MDSXIUUFHXROFP-BZNIZROVSA-N 1 2 320.343 2.843 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000584765435 398408962 /nfs/dbraw/zinc/40/89/62/398408962.db2.gz XDWSXAKIIGZDOE-HOTGVXAUSA-N 1 2 313.401 2.630 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000023617905 398424866 /nfs/dbraw/zinc/42/48/66/398424866.db2.gz DOKOOWLZYBMCBK-UHFFFAOYSA-N 1 2 307.313 2.769 20 30 DFEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592446040 398427280 /nfs/dbraw/zinc/42/72/80/398427280.db2.gz ULZXTHUHOKSBAK-SFHVURJKSA-N 1 2 308.381 2.627 20 30 DFEDLO C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1[nH+]ccn1C ZINC000596489051 398427672 /nfs/dbraw/zinc/42/76/72/398427672.db2.gz TYJIRMDLLNEBTN-NSHDSACASA-N 1 2 314.393 2.731 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000067445719 398434950 /nfs/dbraw/zinc/43/49/50/398434950.db2.gz BFKVUDIYZSELPC-UHFFFAOYSA-N 1 2 302.393 2.991 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000067445719 398434953 /nfs/dbraw/zinc/43/49/53/398434953.db2.gz BFKVUDIYZSELPC-UHFFFAOYSA-N 1 2 302.393 2.991 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N(CCC1CC1)CC1CC1 ZINC000596543264 398442936 /nfs/dbraw/zinc/44/29/36/398442936.db2.gz QDDSJVISNJWEBP-UHFFFAOYSA-N 1 2 310.405 2.756 20 30 DFEDLO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)no1 ZINC000103142109 185434789 /nfs/dbraw/zinc/43/47/89/185434789.db2.gz XHHSQGXZGGDTQF-UHFFFAOYSA-N 1 2 300.337 2.768 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286719005 219126427 /nfs/dbraw/zinc/12/64/27/219126427.db2.gz XEDFDARCEJPTMT-TZMCWYRMSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286719005 219126430 /nfs/dbraw/zinc/12/64/30/219126430.db2.gz XEDFDARCEJPTMT-TZMCWYRMSA-N 1 2 316.298 2.690 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880748 334953964 /nfs/dbraw/zinc/95/39/64/334953964.db2.gz MIHQRXJDLAGVBB-CYBMUJFWSA-N 1 2 301.390 2.566 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C#N)cc1 ZINC000103307614 185446143 /nfs/dbraw/zinc/44/61/43/185446143.db2.gz ZWTBZZXMMBKIOM-CQSZACIVSA-N 1 2 323.400 2.862 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000586778221 398457486 /nfs/dbraw/zinc/45/74/86/398457486.db2.gz ZDMLRFGYULPGPE-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000586778221 398457490 /nfs/dbraw/zinc/45/74/90/398457490.db2.gz ZDMLRFGYULPGPE-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596614516 398461355 /nfs/dbraw/zinc/46/13/55/398461355.db2.gz ZARGHGVXPUXFHZ-UHFFFAOYSA-N 1 2 311.389 2.509 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000083416198 192369865 /nfs/dbraw/zinc/36/98/65/192369865.db2.gz XRZNIJUIVPUTBW-UHFFFAOYSA-N 1 2 323.849 2.978 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000083416198 192369866 /nfs/dbraw/zinc/36/98/66/192369866.db2.gz XRZNIJUIVPUTBW-UHFFFAOYSA-N 1 2 323.849 2.978 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3cccc(C#N)c3)n2)C1 ZINC000272719007 210125217 /nfs/dbraw/zinc/12/52/17/210125217.db2.gz ZAQDIEOABAUPPB-MOEXGYKKSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3cccc(C#N)c3)n2)C1 ZINC000272719007 210125223 /nfs/dbraw/zinc/12/52/23/210125223.db2.gz ZAQDIEOABAUPPB-MOEXGYKKSA-N 1 2 324.384 2.893 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c(F)c1 ZINC000090631252 398490365 /nfs/dbraw/zinc/49/03/65/398490365.db2.gz YVJHFFRRJVEUDS-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCOc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000030571470 398504575 /nfs/dbraw/zinc/50/45/75/398504575.db2.gz XISBPSSGWXNFGQ-UHFFFAOYSA-N 1 2 321.380 2.872 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000592946187 398510742 /nfs/dbraw/zinc/51/07/42/398510742.db2.gz VFVIHMWGAYYRON-CYBMUJFWSA-N 1 2 324.384 2.743 20 30 DFEDLO Cc1cc(-c2cncc(C#N)c2)ccc1OCC[NH+]1CCOCC1 ZINC000592984917 398514201 /nfs/dbraw/zinc/51/42/01/398514201.db2.gz CVACCKSEDVOQDM-UHFFFAOYSA-N 1 2 323.396 2.640 20 30 DFEDLO N#CCNC(=O)c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000592987025 398515318 /nfs/dbraw/zinc/51/53/18/398515318.db2.gz NQDDURPKQJVWTP-UHFFFAOYSA-N 1 2 306.369 2.602 20 30 DFEDLO Cc1cc(-c2ccc(C#N)nc2)ccc1OCC[NH+]1CCOCC1 ZINC000592986773 398515201 /nfs/dbraw/zinc/51/52/01/398515201.db2.gz PPKSCLSPVSEIGC-UHFFFAOYSA-N 1 2 323.396 2.640 20 30 DFEDLO CCc1cc(NC2CCN(CC#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068703000 398520679 /nfs/dbraw/zinc/52/06/79/398520679.db2.gz PWOIUHKWMHHTLE-UHFFFAOYSA-N 1 2 322.416 2.501 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000072650736 282512965 /nfs/dbraw/zinc/51/29/65/282512965.db2.gz PHIVXSPYUXAVSR-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000589105530 398526862 /nfs/dbraw/zinc/52/68/62/398526862.db2.gz NTAYJANUSYHZGC-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596907477 398526926 /nfs/dbraw/zinc/52/69/26/398526926.db2.gz XVBMLIDBARXRKX-BBRMVZONSA-N 1 2 322.412 2.996 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596907477 398526927 /nfs/dbraw/zinc/52/69/27/398526927.db2.gz XVBMLIDBARXRKX-BBRMVZONSA-N 1 2 322.412 2.996 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058075 398533482 /nfs/dbraw/zinc/53/34/82/398533482.db2.gz IUOWBSWWVUZCKW-LSDHHAIUSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058075 398533486 /nfs/dbraw/zinc/53/34/86/398533486.db2.gz IUOWBSWWVUZCKW-LSDHHAIUSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)[C@H](CC)CO1 ZINC000593058508 398533617 /nfs/dbraw/zinc/53/36/17/398533617.db2.gz NGRRXQNOMOVOBE-HUUCEWRRSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)[C@H](CC)CO1 ZINC000593058508 398533621 /nfs/dbraw/zinc/53/36/21/398533621.db2.gz NGRRXQNOMOVOBE-HUUCEWRRSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058796 398533988 /nfs/dbraw/zinc/53/39/88/398533988.db2.gz OSXYNPLHLFVYLP-CQSZACIVSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058796 398533991 /nfs/dbraw/zinc/53/39/91/398533991.db2.gz OSXYNPLHLFVYLP-CQSZACIVSA-N 1 2 303.362 2.856 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)c(C#N)c1C ZINC000593077265 398538512 /nfs/dbraw/zinc/53/85/12/398538512.db2.gz PMOXJTNXERFBFU-UHFFFAOYSA-N 1 2 323.343 2.828 20 30 DFEDLO CCOC(=O)c1c(C)onc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000589258932 398542085 /nfs/dbraw/zinc/54/20/85/398542085.db2.gz BXIPTPATGAVCEC-NSHDSACASA-N 1 2 313.357 2.882 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCC2)CO1 ZINC000593090659 398542248 /nfs/dbraw/zinc/54/22/48/398542248.db2.gz BYTFRWHNLDCIIF-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCC2)CO1 ZINC000593090659 398542251 /nfs/dbraw/zinc/54/22/51/398542251.db2.gz BYTFRWHNLDCIIF-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO Cc1nc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)no1 ZINC000596993247 398542568 /nfs/dbraw/zinc/54/25/68/398542568.db2.gz MYPDBTQIHZYFSN-MRXNPFEDSA-N 1 2 324.384 2.507 20 30 DFEDLO Cc1nc([C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)no1 ZINC000596993247 398542573 /nfs/dbraw/zinc/54/25/73/398542573.db2.gz MYPDBTQIHZYFSN-MRXNPFEDSA-N 1 2 324.384 2.507 20 30 DFEDLO COC(=O)c1ccccc1CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127761 398553531 /nfs/dbraw/zinc/55/35/31/398553531.db2.gz VZORSFUDAKKBFJ-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1ccccc1CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127761 398553535 /nfs/dbraw/zinc/55/35/35/398553535.db2.gz VZORSFUDAKKBFJ-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(F)c2)n1 ZINC000279807520 215165016 /nfs/dbraw/zinc/16/50/16/215165016.db2.gz XHHYAIKZUVIAGZ-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(F)c2)n1 ZINC000279807520 215165020 /nfs/dbraw/zinc/16/50/20/215165020.db2.gz XHHYAIKZUVIAGZ-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000593155650 398560472 /nfs/dbraw/zinc/56/04/72/398560472.db2.gz NNFRNMUXRDGWSY-SFHVURJKSA-N 1 2 315.417 2.582 20 30 DFEDLO CCCc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593153118 398559971 /nfs/dbraw/zinc/55/99/71/398559971.db2.gz AMDUCQMPHKGGES-IBGZPJMESA-N 1 2 315.461 2.922 20 30 DFEDLO Cc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)cc1C#N ZINC000589686342 398570752 /nfs/dbraw/zinc/57/07/52/398570752.db2.gz AJLFAKLEQVSGEJ-ZDUSSCGKSA-N 1 2 301.781 2.953 20 30 DFEDLO Cc1ccc(-c2cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)cc1 ZINC000589826947 398577242 /nfs/dbraw/zinc/57/72/42/398577242.db2.gz IZPFRQSSWHMTGQ-LJQANCHMSA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590053227 398592546 /nfs/dbraw/zinc/59/25/46/398592546.db2.gz BGCWMSZSXGWHDY-RHSMWYFYSA-N 1 2 322.412 2.992 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597231332 398599173 /nfs/dbraw/zinc/59/91/73/398599173.db2.gz LAMIZQRBHBGYQI-GOSISDBHSA-N 1 2 320.400 2.594 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597231332 398599178 /nfs/dbraw/zinc/59/91/78/398599178.db2.gz LAMIZQRBHBGYQI-GOSISDBHSA-N 1 2 320.400 2.594 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000593392412 398617246 /nfs/dbraw/zinc/61/72/46/398617246.db2.gz INJSKNUSALUJAZ-BXUZGUMPSA-N 1 2 316.792 2.829 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477093 398622557 /nfs/dbraw/zinc/62/25/57/398622557.db2.gz LIJOZLKXUFILFM-UHFFFAOYSA-N 1 2 319.368 2.548 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593409134 398621180 /nfs/dbraw/zinc/62/11/80/398621180.db2.gz KNKGAOXDELRBLA-ZNMIVQPWSA-N 1 2 315.417 2.784 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593409134 398621182 /nfs/dbraw/zinc/62/11/82/398621182.db2.gz KNKGAOXDELRBLA-ZNMIVQPWSA-N 1 2 315.417 2.784 20 30 DFEDLO CN(C(=O)c1cccc(C#N)n1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000590478320 398624835 /nfs/dbraw/zinc/62/48/35/398624835.db2.gz UXVXFHFZZFLSNY-INIZCTEOSA-N 1 2 317.352 2.538 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC2(C#N)CCCC2)CC1(C)C ZINC000593431827 398626789 /nfs/dbraw/zinc/62/67/89/398626789.db2.gz WIZJENTUKIJEML-ZDUSSCGKSA-N 1 2 315.421 2.597 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000043664005 398626988 /nfs/dbraw/zinc/62/69/88/398626988.db2.gz IKELBYQMDXUNOQ-UHFFFAOYSA-N 1 2 310.344 2.622 20 30 DFEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)S1 ZINC000072769601 398635671 /nfs/dbraw/zinc/63/56/71/398635671.db2.gz NGJBOQMWYAJGJE-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000590587055 398635730 /nfs/dbraw/zinc/63/57/30/398635730.db2.gz VAYRWGLEHBBLEB-ONGXEEELSA-N 1 2 307.810 2.952 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)[C@]3(C#N)CC34CCCC4)[nH+]c12 ZINC000590673473 398649504 /nfs/dbraw/zinc/64/95/04/398649504.db2.gz GZFMCKPTZFKSMI-LJQANCHMSA-N 1 2 322.412 2.776 20 30 DFEDLO N#CCC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000593543415 398654074 /nfs/dbraw/zinc/65/40/74/398654074.db2.gz AIUOKMSSUPKYEV-KRWDZBQOSA-N 1 2 322.412 2.923 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045029714 398659991 /nfs/dbraw/zinc/65/99/91/398659991.db2.gz ITYRDWNGMGMDBE-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO COCC[N@H+](Cc1ccn(C(C)C)n1)Cc1ccc(C#N)cc1 ZINC000172012988 198026445 /nfs/dbraw/zinc/02/64/45/198026445.db2.gz UIBHCWRMWCSUML-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO COCC[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccc(C#N)cc1 ZINC000172012988 198026446 /nfs/dbraw/zinc/02/64/46/198026446.db2.gz UIBHCWRMWCSUML-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000593656262 398667005 /nfs/dbraw/zinc/66/70/05/398667005.db2.gz JUXJOGFUOKTXQI-SWLSCSKDSA-N 1 2 300.406 2.512 20 30 DFEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)ccc1F ZINC000073353606 398677551 /nfs/dbraw/zinc/67/75/51/398677551.db2.gz FCNGIYPLEDPVKX-QGZVFWFLSA-N 1 2 324.359 2.695 20 30 DFEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)ccc1F ZINC000073353606 398677555 /nfs/dbraw/zinc/67/75/55/398677555.db2.gz FCNGIYPLEDPVKX-QGZVFWFLSA-N 1 2 324.359 2.695 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc(C#N)c1 ZINC000590807653 398678835 /nfs/dbraw/zinc/67/88/35/398678835.db2.gz PJGDBRKPHLXSTH-XUJVJEKNSA-N 1 2 309.373 2.821 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC1(C#N)CCCC1 ZINC000593773911 398684457 /nfs/dbraw/zinc/68/44/57/398684457.db2.gz QLKVDJKABQRSTC-UHFFFAOYSA-N 1 2 310.401 2.935 20 30 DFEDLO C=CCOCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000173582126 198230219 /nfs/dbraw/zinc/23/02/19/198230219.db2.gz NZBSCCVXKJJKPB-UHFFFAOYSA-N 1 2 317.433 2.671 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597796042 398697210 /nfs/dbraw/zinc/69/72/10/398697210.db2.gz IFXBAAJANXHXKU-DOMZBBRYSA-N 1 2 308.385 2.606 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597796042 398697214 /nfs/dbraw/zinc/69/72/14/398697214.db2.gz IFXBAAJANXHXKU-DOMZBBRYSA-N 1 2 308.385 2.606 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000597904855 398717288 /nfs/dbraw/zinc/71/72/88/398717288.db2.gz UWMSAOBBGXXDBV-OAHLLOKOSA-N 1 2 308.385 2.697 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000594008921 398720529 /nfs/dbraw/zinc/72/05/29/398720529.db2.gz LUGUSZNTBVEQRO-GFCCVEGCSA-N 1 2 324.222 2.978 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594040495 398728167 /nfs/dbraw/zinc/72/81/67/398728167.db2.gz GDCWIORNLCLSNL-UONOGXRCSA-N 1 2 310.401 2.831 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047029147 398733356 /nfs/dbraw/zinc/73/33/56/398733356.db2.gz WDQDUANRMNITQP-CYBMUJFWSA-N 1 2 304.419 2.731 20 30 DFEDLO CC(C)(CNc1[nH+]cnc2c1cnn2CCC#N)c1cccnc1 ZINC000591199996 398738958 /nfs/dbraw/zinc/73/89/58/398738958.db2.gz WYALUGZXUYHGSB-UHFFFAOYSA-N 1 2 321.388 2.525 20 30 DFEDLO CCCCn1nnnc1C[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000047726509 398758763 /nfs/dbraw/zinc/75/87/63/398758763.db2.gz YJIQOVIBPDIXIX-UHFFFAOYSA-N 1 2 312.421 2.757 20 30 DFEDLO CCCCn1nnnc1C[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000047726509 398758768 /nfs/dbraw/zinc/75/87/68/398758768.db2.gz YJIQOVIBPDIXIX-UHFFFAOYSA-N 1 2 312.421 2.757 20 30 DFEDLO Cc1cc(C)c(CNC(=O)N2Cc3ccc(C#N)cc3C2)c[nH+]1 ZINC000594253746 398775321 /nfs/dbraw/zinc/77/53/21/398775321.db2.gz BVBPJAIJEHVDKV-UHFFFAOYSA-N 1 2 306.369 2.796 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000594277793 398778323 /nfs/dbraw/zinc/77/83/23/398778323.db2.gz NLZVBYJNOFLVDP-PBHICJAKSA-N 1 2 322.412 2.866 20 30 DFEDLO C[NH+](C)[C@H](CNC(=O)CCCCC#N)c1c(F)cccc1F ZINC000594293494 398780539 /nfs/dbraw/zinc/78/05/39/398780539.db2.gz VTBUHNKIQZACMC-CQSZACIVSA-N 1 2 309.360 2.768 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1=O ZINC000281409967 334982729 /nfs/dbraw/zinc/98/27/29/334982729.db2.gz RADZPCYWHUAPNO-MOPGFXCFSA-N 1 2 321.424 2.856 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1ncc2c(c1C#N)CCC2 ZINC000591818465 398791220 /nfs/dbraw/zinc/79/12/20/398791220.db2.gz FNVNBJZDZGOGPC-INIZCTEOSA-N 1 2 307.401 2.907 20 30 DFEDLO Cc1cc(N[C@H]2CCOC3(CCSCC3)C2)c(C#N)c[nH+]1 ZINC000591821610 398791944 /nfs/dbraw/zinc/79/19/44/398791944.db2.gz YYGOAOCPJOKMNV-AWEZNQCLSA-N 1 2 303.431 2.540 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000591850794 398795335 /nfs/dbraw/zinc/79/53/35/398795335.db2.gz CBSJVGFPVRCRCF-CQSZACIVSA-N 1 2 320.458 2.929 20 30 DFEDLO Cn1c2ccccc2[nH+]c1N1CCN(c2ccccc2C#N)CC1 ZINC000179287967 199010167 /nfs/dbraw/zinc/01/01/67/199010167.db2.gz CWNHYPILNDESOT-UHFFFAOYSA-N 1 2 317.396 2.772 20 30 DFEDLO CC[N@H+](CC(=O)N1CC[C@@](C)(C#N)C1)Cc1ccccc1Cl ZINC000598416222 398809334 /nfs/dbraw/zinc/80/93/34/398809334.db2.gz AMMLFSMDDTYPKT-KRWDZBQOSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC[C@@](C)(C#N)C1)Cc1ccccc1Cl ZINC000598416222 398809335 /nfs/dbraw/zinc/80/93/35/398809335.db2.gz AMMLFSMDDTYPKT-KRWDZBQOSA-N 1 2 319.836 2.924 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594510332 398812757 /nfs/dbraw/zinc/81/27/57/398812757.db2.gz IUCLMMGDFAKLFE-HZPDHXFCSA-N 1 2 323.400 2.695 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000051877531 398827254 /nfs/dbraw/zinc/82/72/54/398827254.db2.gz LBYURTWBXZUJNJ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594615035 398833699 /nfs/dbraw/zinc/83/36/99/398833699.db2.gz RAWOZGGDVNOLEL-UHFFFAOYSA-N 1 2 323.444 2.997 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594615035 398833701 /nfs/dbraw/zinc/83/37/01/398833701.db2.gz RAWOZGGDVNOLEL-UHFFFAOYSA-N 1 2 323.444 2.997 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598604359 398839715 /nfs/dbraw/zinc/83/97/15/398839715.db2.gz LTKFJGABPGJWLR-ZBFHGGJFSA-N 1 2 321.490 2.727 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598604356 398840011 /nfs/dbraw/zinc/84/00/11/398840011.db2.gz LTKFJGABPGJWLR-GDBMZVCRSA-N 1 2 321.490 2.727 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453265 398840489 /nfs/dbraw/zinc/84/04/89/398840489.db2.gz IWJCJVXUQMGEQY-CQSZACIVSA-N 1 2 323.234 2.888 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453265 398840492 /nfs/dbraw/zinc/84/04/92/398840492.db2.gz IWJCJVXUQMGEQY-CQSZACIVSA-N 1 2 323.234 2.888 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000076152915 398844123 /nfs/dbraw/zinc/84/41/23/398844123.db2.gz BJRHLZPSGAAQTN-ROUUACIJSA-N 1 2 311.429 2.771 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000076152915 398844127 /nfs/dbraw/zinc/84/41/27/398844127.db2.gz BJRHLZPSGAAQTN-ROUUACIJSA-N 1 2 311.429 2.771 20 30 DFEDLO CC[N@H+](Cc1cccc(F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152827539 283341711 /nfs/dbraw/zinc/34/17/11/283341711.db2.gz KEIKGHNDABGDPR-QGZVFWFLSA-N 1 2 311.360 2.746 20 30 DFEDLO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152827539 283341715 /nfs/dbraw/zinc/34/17/15/283341715.db2.gz KEIKGHNDABGDPR-QGZVFWFLSA-N 1 2 311.360 2.746 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649934 398848445 /nfs/dbraw/zinc/84/84/45/398848445.db2.gz NVYVINKIUFCXDB-CQSZACIVSA-N 1 2 301.381 2.552 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)n2c1CCCC2 ZINC000598670989 398851596 /nfs/dbraw/zinc/85/15/96/398851596.db2.gz CIJZHCIGMSOZNH-ZDUSSCGKSA-N 1 2 315.417 2.735 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)n2c1CCCC2 ZINC000598670989 398851597 /nfs/dbraw/zinc/85/15/97/398851597.db2.gz CIJZHCIGMSOZNH-ZDUSSCGKSA-N 1 2 315.417 2.735 20 30 DFEDLO C=CCCn1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000594735184 398851660 /nfs/dbraw/zinc/85/16/60/398851660.db2.gz NRWJJXJVOYGHDO-UHFFFAOYSA-N 1 2 312.377 2.544 20 30 DFEDLO C=C(Cl)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000077602114 398913209 /nfs/dbraw/zinc/91/32/09/398913209.db2.gz CIBVMDXPIJCONE-LBPRGKRZSA-N 1 2 317.767 2.619 20 30 DFEDLO Cc1cc(N2CC(Nc3cccc(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC000599110951 398922727 /nfs/dbraw/zinc/92/27/27/398922727.db2.gz IDTUGFMKVFSNHH-UHFFFAOYSA-N 1 2 305.385 2.835 20 30 DFEDLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(C#N)cc1 ZINC000287706966 219686789 /nfs/dbraw/zinc/68/67/89/219686789.db2.gz URCYURMHBBYRFF-LBPRGKRZSA-N 1 2 321.371 2.713 20 30 DFEDLO C=C(Cl)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000077790503 398925465 /nfs/dbraw/zinc/92/54/65/398925465.db2.gz NHEBTUQVJDQLNS-ZDUSSCGKSA-N 1 2 322.771 2.700 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000188917181 200322011 /nfs/dbraw/zinc/32/20/11/200322011.db2.gz QCASTCHAGPMRIE-KRWDZBQOSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000188917181 200322012 /nfs/dbraw/zinc/32/20/12/200322012.db2.gz QCASTCHAGPMRIE-KRWDZBQOSA-N 1 2 316.445 2.573 20 30 DFEDLO C#C[C@@H](NC(=O)NCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000282047974 334989054 /nfs/dbraw/zinc/98/90/54/334989054.db2.gz ARKNTQDWRVTQAJ-OAHLLOKOSA-N 1 2 312.417 2.692 20 30 DFEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nnc2n1CCCCC2 ZINC000595433994 398937214 /nfs/dbraw/zinc/93/72/14/398937214.db2.gz RCHQDDBRRMLTSP-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000599195166 398938148 /nfs/dbraw/zinc/93/81/48/398938148.db2.gz PMQBZTDRMVSSPO-UHFFFAOYSA-N 1 2 319.412 2.706 20 30 DFEDLO N#CCc1cccc2c1CCN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000599195166 398938150 /nfs/dbraw/zinc/93/81/50/398938150.db2.gz PMQBZTDRMVSSPO-UHFFFAOYSA-N 1 2 319.412 2.706 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OC)n1 ZINC000599280645 398947270 /nfs/dbraw/zinc/94/72/70/398947270.db2.gz BCJNIQHIZWNUJV-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OC)n1 ZINC000599280645 398947272 /nfs/dbraw/zinc/94/72/72/398947272.db2.gz BCJNIQHIZWNUJV-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C#N)c(F)c1 ZINC000271910489 209317215 /nfs/dbraw/zinc/31/72/15/209317215.db2.gz DHRVMBCVBHQTLT-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000595532206 398957432 /nfs/dbraw/zinc/95/74/32/398957432.db2.gz PXJACJCYMMVFOK-KDOFPFPSSA-N 1 2 323.400 2.878 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000056312402 398961421 /nfs/dbraw/zinc/96/14/21/398961421.db2.gz IBHHHHVNESFAGE-GOSISDBHSA-N 1 2 315.392 2.622 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000056312402 398961423 /nfs/dbraw/zinc/96/14/23/398961423.db2.gz IBHHHHVNESFAGE-GOSISDBHSA-N 1 2 315.392 2.622 20 30 DFEDLO CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](COC)C(=O)OCC ZINC000599390026 398971232 /nfs/dbraw/zinc/97/12/32/398971232.db2.gz GLQVIPFOKPWRKV-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](COC)C(=O)OCC ZINC000599390026 398971236 /nfs/dbraw/zinc/97/12/36/398971236.db2.gz GLQVIPFOKPWRKV-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000281564676 216387188 /nfs/dbraw/zinc/38/71/88/216387188.db2.gz CFWPTFLUXSQESS-GWCFXTLKSA-N 1 2 321.446 2.674 20 30 DFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000281564676 216387191 /nfs/dbraw/zinc/38/71/91/216387191.db2.gz CFWPTFLUXSQESS-GWCFXTLKSA-N 1 2 321.446 2.674 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595616696 399003265 /nfs/dbraw/zinc/00/32/65/399003265.db2.gz VMGIUYVVEPPPJW-KGLIPLIRSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595616696 399003268 /nfs/dbraw/zinc/00/32/68/399003268.db2.gz VMGIUYVVEPPPJW-KGLIPLIRSA-N 1 2 306.410 2.929 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000595623517 399007541 /nfs/dbraw/zinc/00/75/41/399007541.db2.gz SCAZKXUSZILNEO-CYBMUJFWSA-N 1 2 314.364 2.925 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000595623517 399007545 /nfs/dbraw/zinc/00/75/45/399007545.db2.gz SCAZKXUSZILNEO-CYBMUJFWSA-N 1 2 314.364 2.925 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623986 399007837 /nfs/dbraw/zinc/00/78/37/399007837.db2.gz ZZHKQCINOREBEM-KGLIPLIRSA-N 1 2 302.426 2.865 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623986 399007840 /nfs/dbraw/zinc/00/78/40/399007840.db2.gz ZZHKQCINOREBEM-KGLIPLIRSA-N 1 2 302.426 2.865 20 30 DFEDLO COCc1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212759 399008029 /nfs/dbraw/zinc/00/80/29/399008029.db2.gz IPSBGWXVSZRASA-UHFFFAOYSA-N 1 2 313.426 2.914 20 30 DFEDLO COCc1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212759 399008036 /nfs/dbraw/zinc/00/80/36/399008036.db2.gz IPSBGWXVSZRASA-UHFFFAOYSA-N 1 2 313.426 2.914 20 30 DFEDLO CCOc1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000595634903 399011862 /nfs/dbraw/zinc/01/18/62/399011862.db2.gz ICBLSDBWFJXSTQ-UHFFFAOYSA-N 1 2 302.403 2.833 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)COC ZINC000595645601 399017403 /nfs/dbraw/zinc/01/74/03/399017403.db2.gz GBFQKFFIIABFJB-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)COC ZINC000595645601 399017408 /nfs/dbraw/zinc/01/74/08/399017408.db2.gz GBFQKFFIIABFJB-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO Cc1cc(C)c(CNC(=O)NCCc2ccc(C#N)cc2)c[nH+]1 ZINC000595646728 399018777 /nfs/dbraw/zinc/01/87/77/399018777.db2.gz MWVCIZZKGHZVBW-UHFFFAOYSA-N 1 2 308.385 2.612 20 30 DFEDLO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3C#N)nc2c1 ZINC000595691062 399036906 /nfs/dbraw/zinc/03/69/06/399036906.db2.gz TWGMMWGUKPJQRL-CHWSQXEVSA-N 1 2 312.373 2.521 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000595689314 399036923 /nfs/dbraw/zinc/03/69/23/399036923.db2.gz LNNZHCBKBLBTBK-OCCSQVGLSA-N 1 2 317.345 2.553 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1cc(F)ccc1F ZINC000595694635 399039732 /nfs/dbraw/zinc/03/97/32/399039732.db2.gz ZUPVCVPEMUFUID-MJVIPROJSA-N 1 2 307.344 2.964 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000595702411 399044576 /nfs/dbraw/zinc/04/45/76/399044576.db2.gz KAYCKDHWEQWVAP-RRQGHBQHSA-N 1 2 315.392 2.817 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595711038 399048527 /nfs/dbraw/zinc/04/85/27/399048527.db2.gz DSYOZJASCINNPU-LLVKDONJSA-N 1 2 314.311 2.563 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595711038 399048529 /nfs/dbraw/zinc/04/85/29/399048529.db2.gz DSYOZJASCINNPU-LLVKDONJSA-N 1 2 314.311 2.563 20 30 DFEDLO C=CCC1(NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CCOCC1 ZINC000618250525 399051735 /nfs/dbraw/zinc/05/17/35/399051735.db2.gz FASSJXZFBWSYCQ-UHFFFAOYSA-N 1 2 313.401 2.737 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000599674169 399056948 /nfs/dbraw/zinc/05/69/48/399056948.db2.gz ADEYIALZHZGBNR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000599674169 399056953 /nfs/dbraw/zinc/05/69/53/399056953.db2.gz ADEYIALZHZGBNR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599686587 399063217 /nfs/dbraw/zinc/06/32/17/399063217.db2.gz UABWDQXMPGFXOQ-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO COC(=O)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599686587 399063219 /nfs/dbraw/zinc/06/32/19/399063219.db2.gz UABWDQXMPGFXOQ-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755653 399070440 /nfs/dbraw/zinc/07/04/40/399070440.db2.gz CIGIXNPNNVFAMG-HIFRSBDPSA-N 1 2 321.218 2.789 20 30 DFEDLO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755653 399070445 /nfs/dbraw/zinc/07/04/45/399070445.db2.gz CIGIXNPNNVFAMG-HIFRSBDPSA-N 1 2 321.218 2.789 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)c(C#N)c1C ZINC000595755919 399072179 /nfs/dbraw/zinc/07/21/79/399072179.db2.gz RGLOXTCMFQMUHH-ZDUSSCGKSA-N 1 2 307.369 2.778 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CCF)C2)c(C#N)c1C ZINC000595755919 399072188 /nfs/dbraw/zinc/07/21/88/399072188.db2.gz RGLOXTCMFQMUHH-ZDUSSCGKSA-N 1 2 307.369 2.778 20 30 DFEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000595781075 399082526 /nfs/dbraw/zinc/08/25/26/399082526.db2.gz QSRRJJLUOQTETI-NEPJUHHUSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000595781075 399082532 /nfs/dbraw/zinc/08/25/32/399082532.db2.gz QSRRJJLUOQTETI-NEPJUHHUSA-N 1 2 321.808 2.649 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)o1 ZINC000595795013 399087939 /nfs/dbraw/zinc/08/79/39/399087939.db2.gz CSVSNVGUUMEVQN-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)o1 ZINC000595795013 399087943 /nfs/dbraw/zinc/08/79/43/399087943.db2.gz CSVSNVGUUMEVQN-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000283089025 335002146 /nfs/dbraw/zinc/00/21/46/335002146.db2.gz TVVAXMRPGNZGDW-IUODEOHRSA-N 1 2 314.389 2.549 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595816295 399097258 /nfs/dbraw/zinc/09/72/58/399097258.db2.gz VTYCXNMDFAVNPD-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595816295 399097264 /nfs/dbraw/zinc/09/72/64/399097264.db2.gz VTYCXNMDFAVNPD-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1OC ZINC000283924505 335008865 /nfs/dbraw/zinc/00/88/65/335008865.db2.gz IZHHYHPKPVPZPP-UHFFFAOYSA-N 1 2 317.389 2.976 20 30 DFEDLO CCN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000595838521 399106167 /nfs/dbraw/zinc/10/61/67/399106167.db2.gz VXCSKQWWZTUIRN-KDOFPFPSSA-N 1 2 317.408 2.971 20 30 DFEDLO CCN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000595838521 399106173 /nfs/dbraw/zinc/10/61/73/399106173.db2.gz VXCSKQWWZTUIRN-KDOFPFPSSA-N 1 2 317.408 2.971 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040443 399110373 /nfs/dbraw/zinc/11/03/73/399110373.db2.gz UYILWCWOYSMKSV-LBPRGKRZSA-N 1 2 309.360 2.720 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040443 399110378 /nfs/dbraw/zinc/11/03/78/399110378.db2.gz UYILWCWOYSMKSV-LBPRGKRZSA-N 1 2 309.360 2.720 20 30 DFEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595845333 399111452 /nfs/dbraw/zinc/11/14/52/399111452.db2.gz ZVXBXCCDYROVCD-GOSISDBHSA-N 1 2 305.385 2.694 20 30 DFEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595845333 399111454 /nfs/dbraw/zinc/11/14/54/399111454.db2.gz ZVXBXCCDYROVCD-GOSISDBHSA-N 1 2 305.385 2.694 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193608 284157655 /nfs/dbraw/zinc/15/76/55/284157655.db2.gz ZSVQZIGXRHLNCU-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193608 284157658 /nfs/dbraw/zinc/15/76/58/284157658.db2.gz ZSVQZIGXRHLNCU-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000600033154 399125744 /nfs/dbraw/zinc/12/57/44/399125744.db2.gz SJBDMPHWZZGKNR-WMLDXEAASA-N 1 2 322.412 2.845 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000600033152 399125880 /nfs/dbraw/zinc/12/58/80/399125880.db2.gz SJBDMPHWZZGKNR-PBHICJAKSA-N 1 2 322.412 2.845 20 30 DFEDLO C[C@@H]1C[NH+](C(C)(C)CNc2ncc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000263817681 203583651 /nfs/dbraw/zinc/58/36/51/203583651.db2.gz WNGQLDRFGKYVSW-VXGBXAGGSA-N 1 2 322.840 2.906 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263961645 203655956 /nfs/dbraw/zinc/65/59/56/203655956.db2.gz XWJLUDJCFNLJLO-AWEZNQCLSA-N 1 2 311.385 2.994 20 30 DFEDLO N#CC1(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CCCCC1 ZINC000595943723 399140474 /nfs/dbraw/zinc/14/04/74/399140474.db2.gz NRBBFBYWZGIOEL-CQSZACIVSA-N 1 2 307.344 2.555 20 30 DFEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccccc2)CCCCC1 ZINC000600764342 399138745 /nfs/dbraw/zinc/13/87/45/399138745.db2.gz ZSGCMRBMDMKDQB-UHFFFAOYSA-N 1 2 306.431 2.524 20 30 DFEDLO C=C1CC[NH+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000264511061 203966390 /nfs/dbraw/zinc/96/63/90/203966390.db2.gz XRMWPDSXFVHQTG-CQSZACIVSA-N 1 2 318.417 2.533 20 30 DFEDLO N#Cc1cc(F)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000264617158 204031127 /nfs/dbraw/zinc/03/11/27/204031127.db2.gz HCGRRWNPRVFUEV-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO C=CC[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1 ZINC000183000152 399152733 /nfs/dbraw/zinc/15/27/33/399152733.db2.gz QYYWHUAZEQALQU-UHFFFAOYSA-N 1 2 319.412 2.910 20 30 DFEDLO C=CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1 ZINC000183000152 399152735 /nfs/dbraw/zinc/15/27/35/399152735.db2.gz QYYWHUAZEQALQU-UHFFFAOYSA-N 1 2 319.412 2.910 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184505732 399157716 /nfs/dbraw/zinc/15/77/16/399157716.db2.gz WTYAVOFSRKJGBM-GFCCVEGCSA-N 1 2 322.478 2.853 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000600840797 399158491 /nfs/dbraw/zinc/15/84/91/399158491.db2.gz ZHWHOGYOOSZYGZ-MAUKXSAKSA-N 1 2 322.412 2.625 20 30 DFEDLO N#Cc1nc(N2CC[NH+](Cc3ccco3)CC2)sc1Cl ZINC000596062147 399158546 /nfs/dbraw/zinc/15/85/46/399158546.db2.gz IEIHDWYIKUVZJL-UHFFFAOYSA-N 1 2 308.794 2.583 20 30 DFEDLO Cn1ncc(C#N)c1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000596065613 399161408 /nfs/dbraw/zinc/16/14/08/399161408.db2.gz UKXWLFGWXWGQDR-UHFFFAOYSA-N 1 2 306.373 2.552 20 30 DFEDLO Cn1ncc(C#N)c1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000596080826 399166948 /nfs/dbraw/zinc/16/69/48/399166948.db2.gz NIOFYDYCRFPDEF-UHFFFAOYSA-N 1 2 310.405 2.679 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666604 335015993 /nfs/dbraw/zinc/01/59/93/335015993.db2.gz DNLKZJYFTBVDKA-OKZBNKHCSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666604 335015994 /nfs/dbraw/zinc/01/59/94/335015994.db2.gz DNLKZJYFTBVDKA-OKZBNKHCSA-N 1 2 319.832 2.553 20 30 DFEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)C#N ZINC000614247660 399188554 /nfs/dbraw/zinc/18/85/54/399188554.db2.gz DBCGTNOMPBXRJZ-UHFFFAOYSA-N 1 2 314.838 2.773 20 30 DFEDLO N#Cc1c(CN2CC[NH+](Cc3ccco3)CC2)cn2ccccc12 ZINC000198705144 399196482 /nfs/dbraw/zinc/19/64/82/399196482.db2.gz WXMCWMCUSOWWQZ-UHFFFAOYSA-N 1 2 320.396 2.722 20 30 DFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044529 399207160 /nfs/dbraw/zinc/20/71/60/399207160.db2.gz VOEPPTWVKAHUQC-MRXNPFEDSA-N 1 2 313.445 2.668 20 30 DFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044529 399207163 /nfs/dbraw/zinc/20/71/63/399207163.db2.gz VOEPPTWVKAHUQC-MRXNPFEDSA-N 1 2 313.445 2.668 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(CNc2cc(CC#N)cc[nH+]2)c1C ZINC000601066271 399216634 /nfs/dbraw/zinc/21/66/34/399216634.db2.gz JJFIJLZOKKRMBJ-UHFFFAOYSA-N 1 2 312.373 2.881 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601111598 399230364 /nfs/dbraw/zinc/23/03/64/399230364.db2.gz UCTIKWDNJBRIQB-AWEZNQCLSA-N 1 2 308.389 2.691 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000064797350 399232919 /nfs/dbraw/zinc/23/29/19/399232919.db2.gz CWUYYTGENUQVQV-ZYHUDNBSSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000064797350 399232920 /nfs/dbraw/zinc/23/29/20/399232920.db2.gz CWUYYTGENUQVQV-ZYHUDNBSSA-N 1 2 317.216 2.825 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOC(C)C ZINC000267620878 206178788 /nfs/dbraw/zinc/17/87/88/206178788.db2.gz QHGYFKBDERIVEI-MRXNPFEDSA-N 1 2 304.390 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOC(C)C ZINC000267620878 206178792 /nfs/dbraw/zinc/17/87/92/206178792.db2.gz QHGYFKBDERIVEI-MRXNPFEDSA-N 1 2 304.390 2.519 20 30 DFEDLO C#CCCCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000192361201 335027938 /nfs/dbraw/zinc/02/79/38/335027938.db2.gz WSQOFYRLMJHJSM-UHFFFAOYSA-N 1 2 313.445 2.950 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C#N)cc1Br ZINC000618900654 399254883 /nfs/dbraw/zinc/25/48/83/399254883.db2.gz MRHBBSXPCHNFJN-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000267872861 206313670 /nfs/dbraw/zinc/31/36/70/206313670.db2.gz MOERUPYWBHVPCZ-CQSZACIVSA-N 1 2 320.458 2.750 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000267872861 206313675 /nfs/dbraw/zinc/31/36/75/206313675.db2.gz MOERUPYWBHVPCZ-CQSZACIVSA-N 1 2 320.458 2.750 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784728 399295041 /nfs/dbraw/zinc/29/50/41/399295041.db2.gz PFRZMFOSERBXIV-MNOVXSKESA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784728 399295042 /nfs/dbraw/zinc/29/50/42/399295042.db2.gz PFRZMFOSERBXIV-MNOVXSKESA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000609139377 399305573 /nfs/dbraw/zinc/30/55/73/399305573.db2.gz SLJOXDNKXVUIFQ-RHSMWYFYSA-N 1 2 323.400 2.862 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601669244 399317716 /nfs/dbraw/zinc/31/77/16/399317716.db2.gz SEDHRNXRLOJYKJ-NVXWUHKLSA-N 1 2 308.385 2.613 20 30 DFEDLO CC(C)n1cc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cn1 ZINC000609586054 399325058 /nfs/dbraw/zinc/32/50/58/399325058.db2.gz WIXBYHWJURZNCU-GFCCVEGCSA-N 1 2 324.392 2.690 20 30 DFEDLO Cc1ccc(CN(c2[nH+]cnc3c2cnn3CCC#N)C2CC2)o1 ZINC000609585606 399325301 /nfs/dbraw/zinc/32/53/01/399325301.db2.gz BVHGDEWVZWAVRI-UHFFFAOYSA-N 1 2 322.372 2.810 20 30 DFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618968 399326334 /nfs/dbraw/zinc/32/63/34/399326334.db2.gz RCWKSEUCUVXFSN-GFCCVEGCSA-N 1 2 306.325 2.612 20 30 DFEDLO C[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)Oc1ccccc1 ZINC000609613553 399326587 /nfs/dbraw/zinc/32/65/87/399326587.db2.gz AHVUHEBJTLRBAV-CYBMUJFWSA-N 1 2 322.372 2.619 20 30 DFEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2ccccc2c1=O ZINC000193057758 335041009 /nfs/dbraw/zinc/04/10/09/335041009.db2.gz ANMLKAKLRXHKGG-UHFFFAOYSA-N 1 2 324.409 2.852 20 30 DFEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000268321135 206632297 /nfs/dbraw/zinc/63/22/97/206632297.db2.gz SYHYVBMLMSXIEL-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000268321135 206632300 /nfs/dbraw/zinc/63/23/00/206632300.db2.gz SYHYVBMLMSXIEL-GOSISDBHSA-N 1 2 314.360 2.871 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000610016310 399339414 /nfs/dbraw/zinc/33/94/14/399339414.db2.gz NZFKBOGZUDAPIX-CYBMUJFWSA-N 1 2 323.400 2.658 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1cccc2cc[nH]c21 ZINC000615527068 399347616 /nfs/dbraw/zinc/34/76/16/399347616.db2.gz WPVUPAZZPIWJTP-UHFFFAOYSA-N 1 2 317.356 2.833 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H]1c1cccc(F)c1 ZINC000610282572 399353510 /nfs/dbraw/zinc/35/35/10/399353510.db2.gz CFPAFJLZWZPLGY-OAHLLOKOSA-N 1 2 322.347 2.830 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@H](O)CC3(C#N)CCOCC3)c2cc1C ZINC000601953050 399368188 /nfs/dbraw/zinc/36/81/88/399368188.db2.gz KJCQFQLGVAMUKN-OAHLLOKOSA-N 1 2 313.401 2.725 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601969526 399371353 /nfs/dbraw/zinc/37/13/53/399371353.db2.gz USGWQFGZIPTNSS-RISCZKNCSA-N 1 2 311.307 2.772 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1ccccc1C#N)C2 ZINC000106372468 194202137 /nfs/dbraw/zinc/20/21/37/194202137.db2.gz ODGSQHGSHOASRR-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO C=C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000619700552 399379548 /nfs/dbraw/zinc/37/95/48/399379548.db2.gz BJSBUOJBJGBLOF-CYBMUJFWSA-N 1 2 301.308 2.955 20 30 DFEDLO C=C[C@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000619734829 399384992 /nfs/dbraw/zinc/38/49/92/399384992.db2.gz UKZJCECOPZWKPR-DLBZAZTESA-N 1 2 313.401 2.558 20 30 DFEDLO N#CC1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000602086238 399392996 /nfs/dbraw/zinc/39/29/96/399392996.db2.gz NQWPODUPWRIUSC-LLVKDONJSA-N 1 2 314.311 2.719 20 30 DFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602083160 399393092 /nfs/dbraw/zinc/39/30/92/399393092.db2.gz KHELLMZPMGLXLO-APHBMKBZSA-N 1 2 308.385 2.995 20 30 DFEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602083160 399393094 /nfs/dbraw/zinc/39/30/94/399393094.db2.gz KHELLMZPMGLXLO-APHBMKBZSA-N 1 2 308.385 2.995 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000110128890 194312375 /nfs/dbraw/zinc/31/23/75/194312375.db2.gz WZEBRZOSTBXCBC-UHFFFAOYSA-N 1 2 307.401 2.975 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000110128890 194312376 /nfs/dbraw/zinc/31/23/76/194312376.db2.gz WZEBRZOSTBXCBC-UHFFFAOYSA-N 1 2 307.401 2.975 20 30 DFEDLO CN(CCCn1cc[nH+]c1)c1cc(C(F)(F)F)cnc1C#N ZINC000413194336 269687403 /nfs/dbraw/zinc/68/74/03/269687403.db2.gz LUDQZZBUIFOFSI-UHFFFAOYSA-N 1 2 309.295 2.695 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CC(C)C1 ZINC000610713431 399396714 /nfs/dbraw/zinc/39/67/14/399396714.db2.gz XXTDQXIILTXOFH-UHFFFAOYSA-N 1 2 310.401 2.655 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471713 399396843 /nfs/dbraw/zinc/39/68/43/399396843.db2.gz NNNWXZSKCIIRFF-OAHLLOKOSA-N 1 2 314.433 2.658 20 30 DFEDLO C[C@@H](C#N)CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000602125330 399398718 /nfs/dbraw/zinc/39/87/18/399398718.db2.gz IOLPFWPVSYBGBM-CMPLNLGQSA-N 1 2 314.311 2.527 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729939 399398955 /nfs/dbraw/zinc/39/89/55/399398955.db2.gz PZTLIANWYPPRIH-GHMZBOCLSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729939 399398958 /nfs/dbraw/zinc/39/89/58/399398958.db2.gz PZTLIANWYPPRIH-GHMZBOCLSA-N 1 2 317.216 2.967 20 30 DFEDLO CC1(C#N)CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602143631 399400981 /nfs/dbraw/zinc/40/09/81/399400981.db2.gz NNHMUBYKLQNFIZ-LLVKDONJSA-N 1 2 314.311 2.529 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602156172 399402330 /nfs/dbraw/zinc/40/23/30/399402330.db2.gz ATMCGMYKJVEEPQ-SRVKXCTJSA-N 1 2 314.311 2.575 20 30 DFEDLO CC(C)C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC000602157539 399402363 /nfs/dbraw/zinc/40/23/63/399402363.db2.gz HCAFUPWSNLJCLR-MRXNPFEDSA-N 1 2 314.364 2.797 20 30 DFEDLO CC(C)C[C@@H](C(=O)N1CCc2c1cccc2C#N)n1cc[nH+]c1 ZINC000602168413 399404462 /nfs/dbraw/zinc/40/44/62/399404462.db2.gz RMVWDLVWIZQMIZ-KRWDZBQOSA-N 1 2 308.385 2.931 20 30 DFEDLO CC(C)C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)n1cc[nH+]c1 ZINC000602172795 399405062 /nfs/dbraw/zinc/40/50/62/399405062.db2.gz BKMHTEDEJNDZSV-QGZVFWFLSA-N 1 2 308.385 2.884 20 30 DFEDLO CC(C)C[C@H](C(=O)N1Cc2cccc(C#N)c2C1)n1cc[nH+]c1 ZINC000602176784 399405767 /nfs/dbraw/zinc/40/57/67/399405767.db2.gz LNPDEGWYBLVOCK-QGZVFWFLSA-N 1 2 308.385 2.884 20 30 DFEDLO Cc1ccc2c(c1)[C@H](Nc1[nH+]cnc3c1cnn3CCC#N)CO2 ZINC000610786823 399405979 /nfs/dbraw/zinc/40/59/79/399405979.db2.gz KJIBTWSXVJKHPS-CQSZACIVSA-N 1 2 320.356 2.594 20 30 DFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992919 399426138 /nfs/dbraw/zinc/42/61/38/399426138.db2.gz SGFBTECFJVFVNW-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992919 399426140 /nfs/dbraw/zinc/42/61/40/399426140.db2.gz SGFBTECFJVFVNW-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000058578027 184123450 /nfs/dbraw/zinc/12/34/50/184123450.db2.gz XYXCRIHSSZCEKQ-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC000058578027 184123451 /nfs/dbraw/zinc/12/34/51/184123451.db2.gz XYXCRIHSSZCEKQ-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO CC(C)(C)C1=CCN(c2[nH+]cnc3c2cnn3CCC#N)CC1 ZINC000611143808 399438886 /nfs/dbraw/zinc/43/88/86/399438886.db2.gz NRBYMDFARPIAFN-UHFFFAOYSA-N 1 2 310.405 2.923 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1C#N ZINC000611180333 399443098 /nfs/dbraw/zinc/44/30/98/399443098.db2.gz CTEHXEAIPOGOJF-UHFFFAOYSA-N 1 2 306.312 2.576 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179686 399443219 /nfs/dbraw/zinc/44/32/19/399443219.db2.gz HNYJXEBOORTHSZ-JTQLQIEISA-N 1 2 313.373 2.762 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179686 399443221 /nfs/dbraw/zinc/44/32/21/399443221.db2.gz HNYJXEBOORTHSZ-JTQLQIEISA-N 1 2 313.373 2.762 20 30 DFEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000602438255 399444230 /nfs/dbraw/zinc/44/42/30/399444230.db2.gz PFZPBTHRSWUVOS-SFHVURJKSA-N 1 2 321.428 2.565 20 30 DFEDLO CO[C@@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000602427734 399441760 /nfs/dbraw/zinc/44/17/60/399441760.db2.gz JONIRPREFLTTFF-OALUTQOASA-N 1 2 313.445 2.511 20 30 DFEDLO CO[C@@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000602427734 399441763 /nfs/dbraw/zinc/44/17/63/399441763.db2.gz JONIRPREFLTTFF-OALUTQOASA-N 1 2 313.445 2.511 20 30 DFEDLO C[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602476207 399456410 /nfs/dbraw/zinc/45/64/10/399456410.db2.gz WKHRSXVKMMNMME-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602476207 399456413 /nfs/dbraw/zinc/45/64/13/399456413.db2.gz WKHRSXVKMMNMME-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C=CCCOCC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000620194765 399457519 /nfs/dbraw/zinc/45/75/19/399457519.db2.gz JXSRTYGQGSDMAF-UHFFFAOYSA-N 1 2 317.433 2.527 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000602484827 399458825 /nfs/dbraw/zinc/45/88/25/399458825.db2.gz IVVKLNAPPLEHGO-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000602484827 399458827 /nfs/dbraw/zinc/45/88/27/399458827.db2.gz IVVKLNAPPLEHGO-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000611348920 399464771 /nfs/dbraw/zinc/46/47/71/399464771.db2.gz SUVLVOYZVPLGTG-OAHLLOKOSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000611348920 399464773 /nfs/dbraw/zinc/46/47/73/399464773.db2.gz SUVLVOYZVPLGTG-OAHLLOKOSA-N 1 2 312.442 2.990 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000287417491 335045956 /nfs/dbraw/zinc/04/59/56/335045956.db2.gz RLYHJHOFQTUUHU-UHFFFAOYSA-N 1 2 322.412 2.564 20 30 DFEDLO C[NH+](C)[C@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602566292 399478185 /nfs/dbraw/zinc/47/81/85/399478185.db2.gz XDCQSMANTAWBTG-QGZVFWFLSA-N 1 2 314.820 2.999 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1F ZINC000611502542 399483961 /nfs/dbraw/zinc/48/39/61/399483961.db2.gz VEYXHMZPILTRJU-FZMZJTMJSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1F ZINC000611502542 399483963 /nfs/dbraw/zinc/48/39/63/399483963.db2.gz VEYXHMZPILTRJU-FZMZJTMJSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1F ZINC000611502544 399484145 /nfs/dbraw/zinc/48/41/45/399484145.db2.gz VEYXHMZPILTRJU-SMDDNHRTSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1F ZINC000611502544 399484150 /nfs/dbraw/zinc/48/41/50/399484150.db2.gz VEYXHMZPILTRJU-SMDDNHRTSA-N 1 2 300.337 2.788 20 30 DFEDLO Cn1cc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cn1 ZINC000611553566 399491169 /nfs/dbraw/zinc/49/11/69/399491169.db2.gz XFNYLWMCBAWERN-UHFFFAOYSA-N 1 2 301.419 2.669 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)n1 ZINC000602658318 399505956 /nfs/dbraw/zinc/50/59/56/399505956.db2.gz ULDMUMZWFQQVOY-UHFFFAOYSA-N 1 2 322.290 2.579 20 30 DFEDLO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)c(C(=O)OC(C)(C)C)n1 ZINC000602705549 399530064 /nfs/dbraw/zinc/53/00/64/399530064.db2.gz BBVVMJVVGVMEHC-JSGCOSHPSA-N 1 2 318.421 2.547 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000602708157 399531386 /nfs/dbraw/zinc/53/13/86/399531386.db2.gz LZAMFMMEHQWLKX-JSGCOSHPSA-N 1 2 318.421 2.547 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000602707626 399531761 /nfs/dbraw/zinc/53/17/61/399531761.db2.gz LJUOCLOQMOMUBL-PXCJXSSVSA-N 1 2 302.374 2.581 20 30 DFEDLO C=C1CC(C)(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000631974919 399535418 /nfs/dbraw/zinc/53/54/18/399535418.db2.gz ZEJCNCVQDXUNBP-UHFFFAOYSA-N 1 2 301.390 2.521 20 30 DFEDLO CCOC(=O)[C@]1([NH2+]C[C@@H](C)CCC#N)CCc2ccccc21 ZINC000602727295 399543310 /nfs/dbraw/zinc/54/33/10/399543310.db2.gz CIONWYQJJIKINN-KSSFIOAISA-N 1 2 300.402 2.921 20 30 DFEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000602749265 399554711 /nfs/dbraw/zinc/55/47/11/399554711.db2.gz ZQDSZMBVWQIUQK-UHFFFAOYSA-N 1 2 323.444 2.520 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000602752192 399555804 /nfs/dbraw/zinc/55/58/04/399555804.db2.gz VCGUEAACVCYRAI-UHFFFAOYSA-N 1 2 313.323 2.616 20 30 DFEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000602759107 399558528 /nfs/dbraw/zinc/55/85/28/399558528.db2.gz PHCBOOUDHMWXGY-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771154 399565346 /nfs/dbraw/zinc/56/53/46/399565346.db2.gz DZDMJZUWQKUCHO-GWCFXTLKSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771154 399565352 /nfs/dbraw/zinc/56/53/52/399565352.db2.gz DZDMJZUWQKUCHO-GWCFXTLKSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771155 399565817 /nfs/dbraw/zinc/56/58/17/399565817.db2.gz DZDMJZUWQKUCHO-GXFFZTMASA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602771155 399565822 /nfs/dbraw/zinc/56/58/22/399565822.db2.gz DZDMJZUWQKUCHO-GXFFZTMASA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166818 399596751 /nfs/dbraw/zinc/59/67/51/399596751.db2.gz RWNDOTOFCNITIM-FUHWJXTLSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166818 399596752 /nfs/dbraw/zinc/59/67/52/399596752.db2.gz RWNDOTOFCNITIM-FUHWJXTLSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162202 399595830 /nfs/dbraw/zinc/59/58/30/399595830.db2.gz LIEWYVYHFJALAZ-KHYOSLBOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162202 399595833 /nfs/dbraw/zinc/59/58/33/399595833.db2.gz LIEWYVYHFJALAZ-KHYOSLBOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602853749 399603016 /nfs/dbraw/zinc/60/30/16/399603016.db2.gz LIVDLCCSEGKMBP-GASCZTMLSA-N 1 2 316.449 2.677 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(OC(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602853749 399603021 /nfs/dbraw/zinc/60/30/21/399603021.db2.gz LIVDLCCSEGKMBP-GASCZTMLSA-N 1 2 316.449 2.677 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000154890154 197002281 /nfs/dbraw/zinc/00/22/81/197002281.db2.gz AEDBYYQWFSAUBD-LBPRGKRZSA-N 1 2 305.378 2.640 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000154890154 197002283 /nfs/dbraw/zinc/00/22/83/197002283.db2.gz AEDBYYQWFSAUBD-LBPRGKRZSA-N 1 2 305.378 2.640 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccccc2OC(F)F)C[C@@H](C)N1CC#N ZINC000602858550 399605871 /nfs/dbraw/zinc/60/58/71/399605871.db2.gz SQUMYOFJPGKXQT-CHWSQXEVSA-N 1 2 309.360 2.706 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(Br)c1 ZINC000602861353 399606666 /nfs/dbraw/zinc/60/66/66/399606666.db2.gz HFPCEEGFWACEBZ-VHSXEESVSA-N 1 2 310.195 2.668 20 30 DFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602861788 399607608 /nfs/dbraw/zinc/60/76/08/399607608.db2.gz JGAPKJUNSLWJBZ-UKRRQHHQSA-N 1 2 303.406 2.544 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602868147 399608486 /nfs/dbraw/zinc/60/84/86/399608486.db2.gz HHNZRRLEORDRJX-GHMZBOCLSA-N 1 2 309.797 2.876 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869316 399610336 /nfs/dbraw/zinc/61/03/36/399610336.db2.gz NLBSNXXTCPGEIV-HOTGVXAUSA-N 1 2 312.417 2.830 20 30 DFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602882932 399614584 /nfs/dbraw/zinc/61/45/84/399614584.db2.gz DYTRWPWFAFTSIF-BBRMVZONSA-N 1 2 302.374 2.535 20 30 DFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602882932 399614587 /nfs/dbraw/zinc/61/45/87/399614587.db2.gz DYTRWPWFAFTSIF-BBRMVZONSA-N 1 2 302.374 2.535 20 30 DFEDLO CCc1noc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602897598 399618544 /nfs/dbraw/zinc/61/85/44/399618544.db2.gz MPUXWBJRPZEWKU-UHFFFAOYSA-N 1 2 311.389 2.580 20 30 DFEDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)ccc1C#N ZINC000289654754 221133145 /nfs/dbraw/zinc/13/31/45/221133145.db2.gz CLLUGCBTFBAZET-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1cc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)ccc1C#N ZINC000289654754 221133148 /nfs/dbraw/zinc/13/31/48/221133148.db2.gz CLLUGCBTFBAZET-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)o1 ZINC000289828674 221253955 /nfs/dbraw/zinc/25/39/55/221253955.db2.gz UFYUEOBCCDMRNA-UHFFFAOYSA-N 1 2 303.406 2.764 20 30 DFEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)o1 ZINC000289828674 221253957 /nfs/dbraw/zinc/25/39/57/221253957.db2.gz UFYUEOBCCDMRNA-UHFFFAOYSA-N 1 2 303.406 2.764 20 30 DFEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000602943058 399634802 /nfs/dbraw/zinc/63/48/02/399634802.db2.gz NXCSMIMGSJABOM-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000602943058 399634807 /nfs/dbraw/zinc/63/48/07/399634807.db2.gz NXCSMIMGSJABOM-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO C=C[C@@](C)(CCOC)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000288871629 335058416 /nfs/dbraw/zinc/05/84/16/335058416.db2.gz CTANRLRUNVDJAK-KRWDZBQOSA-N 1 2 312.373 2.788 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000624323332 399638567 /nfs/dbraw/zinc/63/85/67/399638567.db2.gz KYQSSYBAVLKCAL-CQSZACIVSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000624323332 399638575 /nfs/dbraw/zinc/63/85/75/399638575.db2.gz KYQSSYBAVLKCAL-CQSZACIVSA-N 1 2 305.447 2.789 20 30 DFEDLO CC1(F)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000602992733 399653131 /nfs/dbraw/zinc/65/31/31/399653131.db2.gz DNGGRSFCYVRATC-UHFFFAOYSA-N 1 2 309.772 2.974 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602976013 399645645 /nfs/dbraw/zinc/64/56/45/399645645.db2.gz JTCILUVEBRUODI-QZTJIDSGSA-N 1 2 313.445 2.831 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602976013 399645647 /nfs/dbraw/zinc/64/56/47/399645647.db2.gz JTCILUVEBRUODI-QZTJIDSGSA-N 1 2 313.445 2.831 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000602977909 399647127 /nfs/dbraw/zinc/64/71/27/399647127.db2.gz ISLZLFAGEMAVIE-IUODEOHRSA-N 1 2 305.447 2.551 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000602977909 399647134 /nfs/dbraw/zinc/64/71/34/399647134.db2.gz ISLZLFAGEMAVIE-IUODEOHRSA-N 1 2 305.447 2.551 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1cncn1CC ZINC000624459215 399678559 /nfs/dbraw/zinc/67/85/59/399678559.db2.gz HUCZNSHUADGILC-MRXNPFEDSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1cncn1CC ZINC000624459215 399678562 /nfs/dbraw/zinc/67/85/62/399678562.db2.gz HUCZNSHUADGILC-MRXNPFEDSA-N 1 2 318.465 2.855 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000603078733 399675292 /nfs/dbraw/zinc/67/52/92/399675292.db2.gz NRSZXMNGTGXXMQ-HNNXBMFYSA-N 1 2 313.336 2.763 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCC[C@@H]1CCCCO1 ZINC000612798986 399726175 /nfs/dbraw/zinc/72/61/75/399726175.db2.gz SBGZNNJZVJCAGE-ZDUSSCGKSA-N 1 2 314.393 2.501 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000289260490 335061499 /nfs/dbraw/zinc/06/14/99/335061499.db2.gz MOWFRAOVVGBQPI-MSOLQXFVSA-N 1 2 311.381 2.585 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000289260490 335061501 /nfs/dbraw/zinc/06/15/01/335061501.db2.gz MOWFRAOVVGBQPI-MSOLQXFVSA-N 1 2 311.381 2.585 20 30 DFEDLO C#CCOc1ccccc1C[N@H+](CCOC)Cc1ccccn1 ZINC000289795093 335065424 /nfs/dbraw/zinc/06/54/24/335065424.db2.gz MFQMTUDZPRNSGS-UHFFFAOYSA-N 1 2 310.397 2.742 20 30 DFEDLO C#CCOc1ccccc1C[N@@H+](CCOC)Cc1ccccn1 ZINC000289795093 335065426 /nfs/dbraw/zinc/06/54/26/335065426.db2.gz MFQMTUDZPRNSGS-UHFFFAOYSA-N 1 2 310.397 2.742 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000289894412 335066803 /nfs/dbraw/zinc/06/68/03/335066803.db2.gz XETNPBIFYJWVFU-MRXNPFEDSA-N 1 2 311.385 2.748 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000289894412 335066805 /nfs/dbraw/zinc/06/68/05/335066805.db2.gz XETNPBIFYJWVFU-MRXNPFEDSA-N 1 2 311.385 2.748 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@H]3CCCN3C(=O)C(C)C)ccc2[nH+]1 ZINC000328754164 543097382 /nfs/dbraw/zinc/09/73/82/543097382.db2.gz DQOSNTZEAIMRAD-CQSZACIVSA-N 1 2 314.389 2.878 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCc4cccnc43)sc2C1 ZINC000329278218 543102419 /nfs/dbraw/zinc/10/24/19/543102419.db2.gz JQJLLFSMERXFQV-LLVKDONJSA-N 1 2 314.414 2.844 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)[N@H+](C)C1 ZINC000328897950 543097885 /nfs/dbraw/zinc/09/78/85/543097885.db2.gz CYDOYXMLIROLLA-GWCFXTLKSA-N 1 2 318.402 2.512 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)[N@@H+](C)C1 ZINC000328897950 543097888 /nfs/dbraw/zinc/09/78/88/543097888.db2.gz CYDOYXMLIROLLA-GWCFXTLKSA-N 1 2 318.402 2.512 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCc4cccnc43)sc2C1 ZINC000329278218 543102423 /nfs/dbraw/zinc/10/24/23/543102423.db2.gz JQJLLFSMERXFQV-LLVKDONJSA-N 1 2 314.414 2.844 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2csc(-c3ccccn3)n2)[N@H+](C)C1 ZINC000329072351 543099616 /nfs/dbraw/zinc/09/96/16/543099616.db2.gz ZLTDNOOSEFZQFQ-JQWIXIFHSA-N 1 2 318.402 2.512 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2csc(-c3ccccn3)n2)[N@@H+](C)C1 ZINC000329072351 543099622 /nfs/dbraw/zinc/09/96/22/543099622.db2.gz ZLTDNOOSEFZQFQ-JQWIXIFHSA-N 1 2 318.402 2.512 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCOCC1 ZINC000329284027 543102349 /nfs/dbraw/zinc/10/23/49/543102349.db2.gz OHLAIIFCELUFKA-NSHDSACASA-N 1 2 319.430 2.807 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCOCC1 ZINC000329284027 543102352 /nfs/dbraw/zinc/10/23/52/543102352.db2.gz OHLAIIFCELUFKA-NSHDSACASA-N 1 2 319.430 2.807 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCc2ccccc21 ZINC000329475243 543104500 /nfs/dbraw/zinc/10/45/00/543104500.db2.gz OYOJTEWXSRUENI-HNNXBMFYSA-N 1 2 324.428 2.953 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)o1 ZINC000329477964 543104576 /nfs/dbraw/zinc/10/45/76/543104576.db2.gz CDRCWXPVAYXQPW-JSGCOSHPSA-N 1 2 307.394 2.644 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)o1 ZINC000329477964 543104577 /nfs/dbraw/zinc/10/45/77/543104577.db2.gz CDRCWXPVAYXQPW-JSGCOSHPSA-N 1 2 307.394 2.644 20 30 DFEDLO Cc1cccc(OCCNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604558217 399856186 /nfs/dbraw/zinc/85/61/86/399856186.db2.gz NEPAGJBJZYJHLG-UHFFFAOYSA-N 1 2 322.372 2.539 20 30 DFEDLO Cc1cc(CNc2[nH+]cnc3c2cnn3CCC#N)cc(C)c1O ZINC000604558429 399856314 /nfs/dbraw/zinc/85/63/14/399856314.db2.gz COVZMZVBLMHDGZ-UHFFFAOYSA-N 1 2 322.372 2.675 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774791 400055793 /nfs/dbraw/zinc/05/57/93/400055793.db2.gz VTMVVEAGAMSHOU-DOMZBBRYSA-N 1 2 317.364 2.736 20 30 DFEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000245551163 146082023 /nfs/dbraw/zinc/08/20/23/146082023.db2.gz AXKYITXAMGDOBD-IIAWOOMASA-N 1 2 319.474 2.693 20 30 DFEDLO CCn1cc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000248795191 146171656 /nfs/dbraw/zinc/17/16/56/146171656.db2.gz OSQWLFKNVIQVQU-RDTXWAMCSA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000248795191 146171657 /nfs/dbraw/zinc/17/16/57/146171657.db2.gz OSQWLFKNVIQVQU-RDTXWAMCSA-N 1 2 310.401 2.909 20 30 DFEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C#N)cc1F ZINC000358434549 148360492 /nfs/dbraw/zinc/36/04/92/148360492.db2.gz OGVUTGNZTCORSA-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO Cn1cc[nH+]c1CNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000359489813 148673431 /nfs/dbraw/zinc/67/34/31/148673431.db2.gz VHPHROYKKKQQQA-UHFFFAOYSA-N 1 2 315.739 2.666 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3c(cc1C#N)CCC3)CCC2 ZINC000361186151 149050430 /nfs/dbraw/zinc/05/04/30/149050430.db2.gz BPBDYJZNKIYGOV-AWEZNQCLSA-N 1 2 307.401 2.936 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccsc3Cl)CC2)c1 ZINC000361500726 149132912 /nfs/dbraw/zinc/13/29/12/149132912.db2.gz INFPAQJZXLNVQC-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361510575 149134840 /nfs/dbraw/zinc/13/48/40/149134840.db2.gz JFHOIWWUODMIAU-BLLLJJGKSA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361510575 149134843 /nfs/dbraw/zinc/13/48/43/149134843.db2.gz JFHOIWWUODMIAU-BLLLJJGKSA-N 1 2 306.793 2.591 20 30 DFEDLO CNC(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000361635366 149175428 /nfs/dbraw/zinc/17/54/28/149175428.db2.gz DWDCLSBUKQORMA-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000361840264 149234242 /nfs/dbraw/zinc/23/42/42/149234242.db2.gz QVXWODCRUTYGSR-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000361840264 149234243 /nfs/dbraw/zinc/23/42/43/149234243.db2.gz QVXWODCRUTYGSR-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO Cc1cc([C@H]2CCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000371393159 150037527 /nfs/dbraw/zinc/03/75/27/150037527.db2.gz YSKOAKUFUXJCPI-MRXNPFEDSA-N 1 2 307.357 2.840 20 30 DFEDLO CC(C)n1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000371462373 150050086 /nfs/dbraw/zinc/05/00/86/150050086.db2.gz CKLCZWJAZQESTD-GOSISDBHSA-N 1 2 310.401 2.909 20 30 DFEDLO CC(C)n1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000371462373 150050091 /nfs/dbraw/zinc/05/00/91/150050091.db2.gz CKLCZWJAZQESTD-GOSISDBHSA-N 1 2 310.401 2.909 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1O ZINC000371463266 150050215 /nfs/dbraw/zinc/05/02/15/150050215.db2.gz HUUAUSSSLJVDNF-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1O ZINC000371463266 150050217 /nfs/dbraw/zinc/05/02/17/150050217.db2.gz HUUAUSSSLJVDNF-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(Br)c1 ZINC000372269000 150156289 /nfs/dbraw/zinc/15/62/89/150156289.db2.gz VNTHOKXSNKIUEZ-HNNXBMFYSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)c(Br)c1 ZINC000372269000 150156293 /nfs/dbraw/zinc/15/62/93/150156293.db2.gz VNTHOKXSNKIUEZ-HNNXBMFYSA-N 1 2 321.218 2.932 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCc1ccc(C#N)cc1)CCC2 ZINC000372825217 150189813 /nfs/dbraw/zinc/18/98/13/150189813.db2.gz UXVZRBYSBLPXGA-KRWDZBQOSA-N 1 2 322.412 2.690 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](C)O2 ZINC000374027292 150295520 /nfs/dbraw/zinc/29/55/20/150295520.db2.gz MTDVKZQCFRCJTB-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](C)O2 ZINC000374027292 150295522 /nfs/dbraw/zinc/29/55/22/150295522.db2.gz MTDVKZQCFRCJTB-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000247527541 158142674 /nfs/dbraw/zinc/14/26/74/158142674.db2.gz NYLUXRVZTNMMJZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000247527541 158142677 /nfs/dbraw/zinc/14/26/77/158142677.db2.gz NYLUXRVZTNMMJZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CCOc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360362598 158468225 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N#Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1O ZINC000442624981 268205936 /nfs/dbraw/zinc/20/59/36/268205936.db2.gz FPBAFUAFFICKFO-UHFFFAOYSA-N 1 2 304.309 2.702 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](C/C=C/c3ccncc3)CC2)cc1 ZINC000495050083 268220640 /nfs/dbraw/zinc/22/06/40/268220640.db2.gz STAABFSHCJMUCK-OWOJBTEDSA-N 1 2 318.424 2.784 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000425247700 268294169 /nfs/dbraw/zinc/29/41/69/268294169.db2.gz OXFLLUYYAVOULZ-CYBMUJFWSA-N 1 2 309.329 2.552 20 30 DFEDLO N#Cc1cnc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000428021705 268308652 /nfs/dbraw/zinc/30/86/52/268308652.db2.gz GFNMLJYXBTXMQT-LBPRGKRZSA-N 1 2 315.764 2.697 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000432408897 268319975 /nfs/dbraw/zinc/31/99/75/268319975.db2.gz WLTFFTBJGSQHGK-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000319870997 268346626 /nfs/dbraw/zinc/34/66/26/268346626.db2.gz HKMPZHJSJQWPHW-CQSZACIVSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000319870997 268346628 /nfs/dbraw/zinc/34/66/28/268346628.db2.gz HKMPZHJSJQWPHW-CQSZACIVSA-N 1 2 316.298 2.977 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000157631433 425938673 /nfs/dbraw/zinc/93/86/73/425938673.db2.gz DMXKBKHAFOEWAN-STQMWFEESA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000157631433 425938677 /nfs/dbraw/zinc/93/86/77/425938677.db2.gz DMXKBKHAFOEWAN-STQMWFEESA-N 1 2 307.825 2.826 20 30 DFEDLO C=CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000125153638 425956276 /nfs/dbraw/zinc/95/62/76/425956276.db2.gz VQZURZXSTDMZKZ-CQSZACIVSA-N 1 2 323.234 2.888 20 30 DFEDLO CCCCc1noc([C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000072920122 426022547 /nfs/dbraw/zinc/02/25/47/426022547.db2.gz HIRQBARGZBILOT-SECBINFHSA-N 1 2 323.422 2.770 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000108952616 426025455 /nfs/dbraw/zinc/02/54/55/426025455.db2.gz YQKJJDPJBAJRFU-UHFFFAOYSA-N 1 2 309.417 2.990 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)s1 ZINC000128021255 426097869 /nfs/dbraw/zinc/09/78/69/426097869.db2.gz SOSHDAIUZLNKAH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)s1 ZINC000128021255 426097872 /nfs/dbraw/zinc/09/78/72/426097872.db2.gz SOSHDAIUZLNKAH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148198 426102215 /nfs/dbraw/zinc/10/22/15/426102215.db2.gz LAWBHMHFCQRFEY-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148198 426102218 /nfs/dbraw/zinc/10/22/18/426102218.db2.gz LAWBHMHFCQRFEY-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000076964384 426119058 /nfs/dbraw/zinc/11/90/58/426119058.db2.gz VHHOJXORBOFFJZ-UHFFFAOYSA-N 1 2 307.825 2.924 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000076964384 426119061 /nfs/dbraw/zinc/11/90/61/426119061.db2.gz VHHOJXORBOFFJZ-UHFFFAOYSA-N 1 2 307.825 2.924 20 30 DFEDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000167123360 426130979 /nfs/dbraw/zinc/13/09/79/426130979.db2.gz BMOXZWBSMKDWMK-LRDDRELGSA-N 1 2 311.345 2.750 20 30 DFEDLO N#CCCn1cc(/C=C/C(=O)NCc2[nH]cc[nH+]2)c2ccccc21 ZINC000114337822 426132529 /nfs/dbraw/zinc/13/25/29/426132529.db2.gz AARDSCKRKXCEOB-VOTSOKGWSA-N 1 2 319.368 2.608 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000135050260 426204539 /nfs/dbraw/zinc/20/45/39/426204539.db2.gz WTARATYZCPBVJH-CRAIPNDOSA-N 1 2 301.434 2.889 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)o1 ZINC000130286393 426153579 /nfs/dbraw/zinc/15/35/79/426153579.db2.gz RRVMCUKLKAJZIT-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO C[N@H+](Cc1ccc(Cl)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532149 426166489 /nfs/dbraw/zinc/16/64/89/426166489.db2.gz ZOQKUDGPDIQWKF-CQSZACIVSA-N 1 2 319.817 2.932 20 30 DFEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532149 426166491 /nfs/dbraw/zinc/16/64/91/426166491.db2.gz ZOQKUDGPDIQWKF-CQSZACIVSA-N 1 2 319.817 2.932 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000132655515 426169786 /nfs/dbraw/zinc/16/97/86/426169786.db2.gz RKEHWOWGGGYPCU-HNNXBMFYSA-N 1 2 303.793 2.681 20 30 DFEDLO CCOc1cccc(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000133120584 426172365 /nfs/dbraw/zinc/17/23/65/426172365.db2.gz AFUREWBEEOEYTE-RVZJCZPVSA-N 1 2 311.385 2.884 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133837211 426183830 /nfs/dbraw/zinc/18/38/30/426183830.db2.gz XJJBQWGRRQKDQK-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133837211 426183832 /nfs/dbraw/zinc/18/38/32/426183832.db2.gz XJJBQWGRRQKDQK-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000116803021 426197689 /nfs/dbraw/zinc/19/76/89/426197689.db2.gz HFCWCCMZYWTSKV-GUYCJALGSA-N 1 2 317.458 2.695 20 30 DFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000116803021 426197693 /nfs/dbraw/zinc/19/76/93/426197693.db2.gz HFCWCCMZYWTSKV-GUYCJALGSA-N 1 2 317.458 2.695 20 30 DFEDLO Cc1nnc(-c2cccc(C#N)c2)n1Cc1[nH+]ccn1C(F)F ZINC000081080225 426220788 /nfs/dbraw/zinc/22/07/88/426220788.db2.gz YCZHDMWKDFNMSJ-UHFFFAOYSA-N 1 2 314.299 2.765 20 30 DFEDLO N#Cc1csc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000084095724 426232084 /nfs/dbraw/zinc/23/20/84/426232084.db2.gz SXDPTBWWOHZAFE-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO N#Cc1csc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000084057598 426232281 /nfs/dbraw/zinc/23/22/81/426232281.db2.gz SJMNNJBRWAYLQM-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136131128 426235810 /nfs/dbraw/zinc/23/58/10/426235810.db2.gz NVEMVFVWVHIHKY-NSHDSACASA-N 1 2 311.227 2.701 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136131128 426235812 /nfs/dbraw/zinc/23/58/12/426235812.db2.gz NVEMVFVWVHIHKY-NSHDSACASA-N 1 2 311.227 2.701 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000136169393 426237647 /nfs/dbraw/zinc/23/76/47/426237647.db2.gz KQFCKDRUUJOPRT-OAHLLOKOSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000136169393 426237649 /nfs/dbraw/zinc/23/76/49/426237649.db2.gz KQFCKDRUUJOPRT-OAHLLOKOSA-N 1 2 313.850 2.824 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2cccc(C#N)c2)CCC(C)CC1 ZINC000118863187 426249964 /nfs/dbraw/zinc/24/99/64/426249964.db2.gz VRHVLIVNQCOJPT-UHFFFAOYSA-N 1 2 316.401 2.649 20 30 DFEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118959602 426252540 /nfs/dbraw/zinc/25/25/40/426252540.db2.gz MJHSSMZKCYUXPJ-YOEHRIQHSA-N 1 2 322.412 2.927 20 30 DFEDLO C=CC1CC[NH+](CC(=O)Nc2nnc(CC(C)C)s2)CC1 ZINC000137329908 426253119 /nfs/dbraw/zinc/25/31/19/426253119.db2.gz BFEVJXDHAFASDN-UHFFFAOYSA-N 1 2 308.451 2.573 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc(CC)cc(=O)[nH]1 ZINC000118990613 426253881 /nfs/dbraw/zinc/25/38/81/426253881.db2.gz FKFTVEIZDJCHBJ-UHFFFAOYSA-N 1 2 308.385 2.804 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc(CC)cc(=O)[nH]1 ZINC000118990613 426253885 /nfs/dbraw/zinc/25/38/85/426253885.db2.gz FKFTVEIZDJCHBJ-UHFFFAOYSA-N 1 2 308.385 2.804 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000120263279 426308688 /nfs/dbraw/zinc/30/86/88/426308688.db2.gz QIWJCJQMNFXLFG-INIZCTEOSA-N 1 2 308.385 2.968 20 30 DFEDLO N#CCCCS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000151926602 426319877 /nfs/dbraw/zinc/31/98/77/426319877.db2.gz NDEWNEBRSMUEIZ-UHFFFAOYSA-N 1 2 315.398 2.722 20 30 DFEDLO N#Cc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000152001687 426321948 /nfs/dbraw/zinc/32/19/48/426321948.db2.gz CFLJASVDOSVQGB-KRWDZBQOSA-N 1 2 319.364 2.862 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000152116929 426328257 /nfs/dbraw/zinc/32/82/57/426328257.db2.gz PFYNWEZZAHGRSJ-RHSMWYFYSA-N 1 2 323.400 2.547 20 30 DFEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)c1 ZINC000151120722 426279690 /nfs/dbraw/zinc/27/96/90/426279690.db2.gz ZCRGIMQDQJAKPR-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)c1 ZINC000151120722 426279693 /nfs/dbraw/zinc/27/96/93/426279693.db2.gz ZCRGIMQDQJAKPR-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO C=CCCC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176575461 426394136 /nfs/dbraw/zinc/39/41/36/426394136.db2.gz BBMVZSWNDHFHAV-AWEZNQCLSA-N 1 2 308.447 2.512 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1F ZINC000122967115 426406675 /nfs/dbraw/zinc/40/66/75/426406675.db2.gz JWUQEDQWQILYEK-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1cccn2cc(CNC(=O)Nc3ccc(C#N)cc3)[nH+]c12 ZINC000091627585 426343239 /nfs/dbraw/zinc/34/32/39/426343239.db2.gz BMKLHAKGLWGDGU-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093391749 426354444 /nfs/dbraw/zinc/35/44/44/426354444.db2.gz KCXBJKPSNMHNCI-CQSZACIVSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CCOc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093391749 426354447 /nfs/dbraw/zinc/35/44/47/426354447.db2.gz KCXBJKPSNMHNCI-CQSZACIVSA-N 1 2 323.458 2.649 20 30 DFEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093440989 426356937 /nfs/dbraw/zinc/35/69/37/426356937.db2.gz TUGPSPDERVQWKR-QGZVFWFLSA-N 1 2 316.401 2.897 20 30 DFEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093440989 426356939 /nfs/dbraw/zinc/35/69/39/426356939.db2.gz TUGPSPDERVQWKR-QGZVFWFLSA-N 1 2 316.401 2.897 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2csc(C3CC3)n2)cc1 ZINC000153076555 426369016 /nfs/dbraw/zinc/36/90/16/426369016.db2.gz PZDOSHDIKWIZSO-UHFFFAOYSA-N 1 2 303.387 2.866 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122411982 426373180 /nfs/dbraw/zinc/37/31/80/426373180.db2.gz JSGRHBIIJJVPFR-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122411982 426373181 /nfs/dbraw/zinc/37/31/81/426373181.db2.gz JSGRHBIIJJVPFR-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000122544608 426380591 /nfs/dbraw/zinc/38/05/91/426380591.db2.gz YLOIQIDITZSVQQ-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C=CCCC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176545519 426391704 /nfs/dbraw/zinc/39/17/04/426391704.db2.gz SBYWEIQQXLBZBT-CQSZACIVSA-N 1 2 308.447 2.546 20 30 DFEDLO CC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000123391193 426431155 /nfs/dbraw/zinc/43/11/55/426431155.db2.gz IKRPPGNYPIPMAJ-UHFFFAOYSA-N 1 2 305.341 2.776 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154398327 426439463 /nfs/dbraw/zinc/43/94/63/426439463.db2.gz XGXYOOGQFLVLLZ-MRXNPFEDSA-N 1 2 305.378 2.890 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154398327 426439466 /nfs/dbraw/zinc/43/94/66/426439466.db2.gz XGXYOOGQFLVLLZ-MRXNPFEDSA-N 1 2 305.378 2.890 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000177164034 426450555 /nfs/dbraw/zinc/45/05/55/426450555.db2.gz AGLHMJPHIZLRCE-CVEARBPZSA-N 1 2 318.442 2.846 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000177164034 426450558 /nfs/dbraw/zinc/45/05/58/426450558.db2.gz AGLHMJPHIZLRCE-CVEARBPZSA-N 1 2 318.442 2.846 20 30 DFEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000177251512 426460376 /nfs/dbraw/zinc/46/03/76/426460376.db2.gz GQOZCONVSFNJCS-MRXNPFEDSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000177251512 426460379 /nfs/dbraw/zinc/46/03/79/426460379.db2.gz GQOZCONVSFNJCS-MRXNPFEDSA-N 1 2 312.344 2.969 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000155197320 426465739 /nfs/dbraw/zinc/46/57/39/426465739.db2.gz LWQNBFBLJUDTOO-HOCLYGCPSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000155197320 426465743 /nfs/dbraw/zinc/46/57/43/426465743.db2.gz LWQNBFBLJUDTOO-HOCLYGCPSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000155320702 426468895 /nfs/dbraw/zinc/46/88/95/426468895.db2.gz QTWSVNKKPJYSDK-HOTGVXAUSA-N 1 2 312.417 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000155320702 426468898 /nfs/dbraw/zinc/46/88/98/426468898.db2.gz QTWSVNKKPJYSDK-HOTGVXAUSA-N 1 2 312.417 2.803 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000186378394 426517023 /nfs/dbraw/zinc/51/70/23/426517023.db2.gz OZMWAJKQPMTXNH-LRDDRELGSA-N 1 2 312.348 2.617 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000194804332 426492946 /nfs/dbraw/zinc/49/29/46/426492946.db2.gz BDUBGSFFRQVIHP-HNNXBMFYSA-N 1 2 313.467 2.648 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186217180 426495132 /nfs/dbraw/zinc/49/51/32/426495132.db2.gz QFQQAVLMHZZMHU-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186217180 426495135 /nfs/dbraw/zinc/49/51/35/426495135.db2.gz QFQQAVLMHZZMHU-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000273227887 426621338 /nfs/dbraw/zinc/62/13/38/426621338.db2.gz CBWDLOZKHIMSGV-MRXNPFEDSA-N 1 2 320.433 2.784 20 30 DFEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273283113 426633543 /nfs/dbraw/zinc/63/35/43/426633543.db2.gz JHLOLPZZKJYSIC-ZDUSSCGKSA-N 1 2 314.345 2.709 20 30 DFEDLO CCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000265441436 426638104 /nfs/dbraw/zinc/63/81/04/426638104.db2.gz IKSDRDRASPUVPX-YJBOKZPZSA-N 1 2 315.417 2.787 20 30 DFEDLO CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000265441436 426638108 /nfs/dbraw/zinc/63/81/08/426638108.db2.gz IKSDRDRASPUVPX-YJBOKZPZSA-N 1 2 315.417 2.787 20 30 DFEDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000273307371 426639269 /nfs/dbraw/zinc/63/92/69/426639269.db2.gz HVRNOCMMBVXAHE-OAHLLOKOSA-N 1 2 307.401 2.540 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000178530532 426647386 /nfs/dbraw/zinc/64/73/86/426647386.db2.gz QLIGYJRMSYTXSD-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000178530532 426647392 /nfs/dbraw/zinc/64/73/92/426647392.db2.gz QLIGYJRMSYTXSD-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000280758811 426650373 /nfs/dbraw/zinc/65/03/73/426650373.db2.gz YMEJFUYASLRWPP-OIISXLGYSA-N 1 2 303.402 2.780 20 30 DFEDLO C=C(Cl)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000265534405 426651482 /nfs/dbraw/zinc/65/14/82/426651482.db2.gz NZJXHEOVLCYGOY-AWEZNQCLSA-N 1 2 310.850 2.645 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC)ccc1OC ZINC000280875701 426673819 /nfs/dbraw/zinc/67/38/19/426673819.db2.gz NZAOIDWMBLHSML-ZDUSSCGKSA-N 1 2 307.390 2.643 20 30 DFEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC)ccc1OC ZINC000280875701 426673823 /nfs/dbraw/zinc/67/38/23/426673823.db2.gz NZAOIDWMBLHSML-ZDUSSCGKSA-N 1 2 307.390 2.643 20 30 DFEDLO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000179201629 426768949 /nfs/dbraw/zinc/76/89/49/426768949.db2.gz XBAWMPYESJXVSO-BYCMXARLSA-N 1 2 304.415 2.926 20 30 DFEDLO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000179201629 426768952 /nfs/dbraw/zinc/76/89/52/426768952.db2.gz XBAWMPYESJXVSO-BYCMXARLSA-N 1 2 304.415 2.926 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000245904410 426780294 /nfs/dbraw/zinc/78/02/94/426780294.db2.gz UNBRJEHOCHLADR-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000245904410 426780299 /nfs/dbraw/zinc/78/02/99/426780299.db2.gz UNBRJEHOCHLADR-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274312535 426741185 /nfs/dbraw/zinc/74/11/85/426741185.db2.gz XRYKHNXTQRTNAF-INIZCTEOSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245709511 426765405 /nfs/dbraw/zinc/76/54/05/426765405.db2.gz SNWSGHKXNZKSOS-XZJROXQQSA-N 1 2 323.387 2.974 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245709511 426765408 /nfs/dbraw/zinc/76/54/08/426765408.db2.gz SNWSGHKXNZKSOS-XZJROXQQSA-N 1 2 323.387 2.974 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000179620848 426804980 /nfs/dbraw/zinc/80/49/80/426804980.db2.gz ZOBFQHPGMPQVRX-LBPRGKRZSA-N 1 2 308.307 2.980 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000179620848 426804983 /nfs/dbraw/zinc/80/49/83/426804983.db2.gz ZOBFQHPGMPQVRX-LBPRGKRZSA-N 1 2 308.307 2.980 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000267017849 426811392 /nfs/dbraw/zinc/81/13/92/426811392.db2.gz JPZHUDMAJAGEJU-NWDGAFQWSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000267017849 426811396 /nfs/dbraw/zinc/81/13/96/426811396.db2.gz JPZHUDMAJAGEJU-NWDGAFQWSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000246553689 426845169 /nfs/dbraw/zinc/84/51/69/426845169.db2.gz LLABEEZHWFJPOI-SQNIBIBYSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000246553689 426845174 /nfs/dbraw/zinc/84/51/74/426845174.db2.gz LLABEEZHWFJPOI-SQNIBIBYSA-N 1 2 319.832 2.960 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC000281931328 426795964 /nfs/dbraw/zinc/79/59/64/426795964.db2.gz RLNBEEXDUIFASG-INIZCTEOSA-N 1 2 321.384 2.532 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3=CCCCC3)CC2)cc1 ZINC000275686300 426895566 /nfs/dbraw/zinc/89/55/66/426895566.db2.gz IFFZTWUOMROQJW-UHFFFAOYSA-N 1 2 309.413 2.703 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275953903 426953849 /nfs/dbraw/zinc/95/38/49/426953849.db2.gz ALKNZHHORACOQB-HKUYNNGSSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275953903 426953856 /nfs/dbraw/zinc/95/38/56/426953856.db2.gz ALKNZHHORACOQB-HKUYNNGSSA-N 1 2 316.445 2.606 20 30 DFEDLO CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000283113999 426956842 /nfs/dbraw/zinc/95/68/42/426956842.db2.gz VULUYPAKSOGGKI-IUODEOHRSA-N 1 2 312.373 2.562 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247787616 426962759 /nfs/dbraw/zinc/96/27/59/426962759.db2.gz YQWAYDOZPQUSLB-IAGOWNOFSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247787616 426962764 /nfs/dbraw/zinc/96/27/64/426962764.db2.gz YQWAYDOZPQUSLB-IAGOWNOFSA-N 1 2 316.401 2.519 20 30 DFEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000248002977 426971887 /nfs/dbraw/zinc/97/18/87/426971887.db2.gz KNWWGVFGJZDWKH-FUHWJXTLSA-N 1 2 314.433 2.581 20 30 DFEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000248002977 426971890 /nfs/dbraw/zinc/97/18/90/426971890.db2.gz KNWWGVFGJZDWKH-FUHWJXTLSA-N 1 2 314.433 2.581 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318965 426984959 /nfs/dbraw/zinc/98/49/59/426984959.db2.gz SKPJOZISHWGQPI-AAEUAGOBSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318965 426984967 /nfs/dbraw/zinc/98/49/67/426984967.db2.gz SKPJOZISHWGQPI-AAEUAGOBSA-N 1 2 316.323 2.679 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC1CCSCC1)CCC2 ZINC000328651170 426985024 /nfs/dbraw/zinc/98/50/24/426985024.db2.gz JRGAWOMYYKYTSJ-CQSZACIVSA-N 1 2 322.478 2.716 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3[C@H](C1)C3(C)C)CCC2 ZINC000328653305 426985067 /nfs/dbraw/zinc/98/50/67/426985067.db2.gz KZYNDJYDNZXOCJ-MELADBBJSA-N 1 2 302.422 2.571 20 30 DFEDLO CCCCCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000248234501 426986242 /nfs/dbraw/zinc/98/62/42/426986242.db2.gz BNFXQSDURJFSCI-UHFFFAOYSA-N 1 2 319.449 2.895 20 30 DFEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1cc(F)cc(F)c1 ZINC000328772283 426995026 /nfs/dbraw/zinc/99/50/26/426995026.db2.gz HBMFOWOUGUFCHZ-CHWSQXEVSA-N 1 2 309.316 2.604 20 30 DFEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1cc(F)cc(F)c1 ZINC000328772283 426995030 /nfs/dbraw/zinc/99/50/30/426995030.db2.gz HBMFOWOUGUFCHZ-CHWSQXEVSA-N 1 2 309.316 2.604 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000268332167 426988349 /nfs/dbraw/zinc/98/83/49/426988349.db2.gz XMMDYXHTURIUEB-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000268332167 426988355 /nfs/dbraw/zinc/98/83/55/426988355.db2.gz XMMDYXHTURIUEB-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO CC(C)(C(=O)NC[C@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000328673365 426988890 /nfs/dbraw/zinc/98/88/90/426988890.db2.gz IZGUVPZINPTPBJ-OAHLLOKOSA-N 1 2 324.465 2.936 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000268150041 426927531 /nfs/dbraw/zinc/92/75/31/426927531.db2.gz AVCYKYTYGYEDCS-UHFFFAOYSA-N 1 2 321.490 2.780 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247492376 426942897 /nfs/dbraw/zinc/94/28/97/426942897.db2.gz LAWBHMHFCQRFEY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247492376 426942902 /nfs/dbraw/zinc/94/29/02/426942902.db2.gz LAWBHMHFCQRFEY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO O=C(CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CCCC1 ZINC000328787556 426998803 /nfs/dbraw/zinc/99/88/03/426998803.db2.gz OYSUQPZSOLXPHQ-CYBMUJFWSA-N 1 2 318.421 2.795 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000328784772 426999894 /nfs/dbraw/zinc/99/98/94/426999894.db2.gz NZUXMAOYJKXISX-VDERGJSUSA-N 1 2 321.421 2.538 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1OC ZINC000190037990 427005377 /nfs/dbraw/zinc/00/53/77/427005377.db2.gz REULZMZMFSMPAK-SFHVURJKSA-N 1 2 317.385 2.542 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1OC ZINC000190037990 427005386 /nfs/dbraw/zinc/00/53/86/427005386.db2.gz REULZMZMFSMPAK-SFHVURJKSA-N 1 2 317.385 2.542 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000276216914 427008948 /nfs/dbraw/zinc/00/89/48/427008948.db2.gz CUJDYYQABXMYNH-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO Cc1nn2c(C[NH+]3CCC(C#N)CC3)c(C(C)C)nc2s1 ZINC000329181139 427062143 /nfs/dbraw/zinc/06/21/43/427062143.db2.gz ODIHTHYMFKBAPT-UHFFFAOYSA-N 1 2 303.435 2.958 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000337905369 427030567 /nfs/dbraw/zinc/03/05/67/427030567.db2.gz UMIDWGKMNMLYBB-UHFFFAOYSA-N 1 2 320.396 2.792 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC(C)(C)O1)C1CCOCC1 ZINC000329050348 427033601 /nfs/dbraw/zinc/03/36/01/427033601.db2.gz 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COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000336869374 427767500 /nfs/dbraw/zinc/76/75/00/427767500.db2.gz BIFWQOMUEAXVLQ-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000336869374 427767503 /nfs/dbraw/zinc/76/75/03/427767503.db2.gz BIFWQOMUEAXVLQ-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000339196376 427727581 /nfs/dbraw/zinc/72/75/81/427727581.db2.gz AXSDVHWKAFXRAV-KBPBESRZSA-N 1 2 307.394 2.651 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000339196376 427727584 /nfs/dbraw/zinc/72/75/84/427727584.db2.gz AXSDVHWKAFXRAV-KBPBESRZSA-N 1 2 307.394 2.651 20 30 DFEDLO Cc1cc2ccccc2[nH+]c1N(C)CCCc1[nH]nc(N)c1C#N ZINC000301552525 427805424 /nfs/dbraw/zinc/80/54/24/427805424.db2.gz HLWLXWXJBVRNOQ-UHFFFAOYSA-N 1 2 320.400 2.789 20 30 DFEDLO COc1ccccc1[C@H](Nc1cccc(C#N)n1)c1[nH+]ccn1C ZINC000301552844 427805761 /nfs/dbraw/zinc/80/57/61/427805761.db2.gz VVVXQZVLJDMPMO-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1=O ZINC000337163111 427807665 /nfs/dbraw/zinc/80/76/65/427807665.db2.gz WGJKKPGRPCVEQM-QZTJIDSGSA-N 1 2 307.397 2.548 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301645479 427811948 /nfs/dbraw/zinc/81/19/48/427811948.db2.gz PDYPEAYGCFRSNO-HNNXBMFYSA-N 1 2 310.313 2.519 20 30 DFEDLO Cc1cc(NCCC(=O)NCc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301764231 427822706 /nfs/dbraw/zinc/82/27/06/427822706.db2.gz GTHBRBVVLNGOGS-UHFFFAOYSA-N 1 2 308.385 2.689 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000339755170 427823260 /nfs/dbraw/zinc/82/32/60/427823260.db2.gz AXQWMNVUZAOHLO-CQSZACIVSA-N 1 2 316.401 2.534 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000339755170 427823263 /nfs/dbraw/zinc/82/32/63/427823263.db2.gz AXQWMNVUZAOHLO-CQSZACIVSA-N 1 2 316.401 2.534 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000339755013 427823379 /nfs/dbraw/zinc/82/33/79/427823379.db2.gz CMXMPIDZKSREEZ-LJQANCHMSA-N 1 2 306.409 2.999 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000339755013 427823381 /nfs/dbraw/zinc/82/33/81/427823381.db2.gz CMXMPIDZKSREEZ-LJQANCHMSA-N 1 2 306.409 2.999 20 30 DFEDLO Cc1cc(N2CCc3c(C#N)c(N)sc3C2)c(C#N)c(C)[nH+]1 ZINC000301809510 427826248 /nfs/dbraw/zinc/82/62/48/427826248.db2.gz YZCVGXGMQRTIGT-UHFFFAOYSA-N 1 2 309.398 2.648 20 30 DFEDLO N#Cc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000355660802 427837567 /nfs/dbraw/zinc/83/75/67/427837567.db2.gz SKPSBTBXZLZJSN-UHFFFAOYSA-N 1 2 301.309 2.847 20 30 DFEDLO N#Cc1cc2c(nc1N1CC[C@@H](Oc3cc[nH+]cc3)C1)CCCC2 ZINC000301932178 427844031 /nfs/dbraw/zinc/84/40/31/427844031.db2.gz PCPZONTYSUSESF-QGZVFWFLSA-N 1 2 320.396 2.885 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1CC1 ZINC000349918493 427899754 /nfs/dbraw/zinc/89/97/54/427899754.db2.gz VAKBTXLEDZREGM-AWEZNQCLSA-N 1 2 313.336 2.704 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1F ZINC000340209889 427955545 /nfs/dbraw/zinc/95/55/45/427955545.db2.gz KEYRWOUPJXXUTG-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1F ZINC000340209889 427955549 /nfs/dbraw/zinc/95/55/49/427955549.db2.gz KEYRWOUPJXXUTG-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(F)c(C#N)c3)cn2c1 ZINC000350079037 427933143 /nfs/dbraw/zinc/93/31/43/427933143.db2.gz UJLUDGLBUXVNAN-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO CCc1nocc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000350127588 427935018 /nfs/dbraw/zinc/93/50/18/427935018.db2.gz ZPPDOQAHORZYDE-SFHVURJKSA-N 1 2 310.401 2.619 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000350389968 427939438 /nfs/dbraw/zinc/93/94/38/427939438.db2.gz JIQSPHAMEMTDMT-GXSJLCMTSA-N 1 2 310.300 2.799 20 30 DFEDLO C=CCCC1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000356103027 428023298 /nfs/dbraw/zinc/02/32/98/428023298.db2.gz TXGOCNIKOGPSDD-UKRRQHHQSA-N 1 2 303.406 2.503 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369656000 428027392 /nfs/dbraw/zinc/02/73/92/428027392.db2.gz PXKGEJPPIUZNAU-AWEZNQCLSA-N 1 2 323.400 2.790 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356195998 428062163 /nfs/dbraw/zinc/06/21/63/428062163.db2.gz RQAUKWMFPLXMNV-OLZOCXBDSA-N 1 2 320.462 2.532 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356195998 428062168 /nfs/dbraw/zinc/06/21/68/428062168.db2.gz RQAUKWMFPLXMNV-OLZOCXBDSA-N 1 2 320.462 2.532 20 30 DFEDLO Cc1noc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000359757541 428005800 /nfs/dbraw/zinc/00/58/00/428005800.db2.gz MNNYFBXAVYTJEH-LLVKDONJSA-N 1 2 322.372 2.501 20 30 DFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(NC2CC2)[nH+]cn1 ZINC000413292189 428011307 /nfs/dbraw/zinc/01/13/07/428011307.db2.gz DBIHAQYKNQJEOI-UHFFFAOYSA-N 1 2 323.400 2.576 20 30 DFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc(NC2CC2)nc[nH+]1 ZINC000413292189 428011312 /nfs/dbraw/zinc/01/13/12/428011312.db2.gz DBIHAQYKNQJEOI-UHFFFAOYSA-N 1 2 323.400 2.576 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000369855171 428075683 /nfs/dbraw/zinc/07/56/83/428075683.db2.gz DBKWGEJBINIWHR-OAHLLOKOSA-N 1 2 322.412 2.992 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000413586662 428089009 /nfs/dbraw/zinc/08/90/09/428089009.db2.gz WJEVRNBQFADQQI-QGZVFWFLSA-N 1 2 324.428 2.913 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000413586662 428089014 /nfs/dbraw/zinc/08/90/14/428089014.db2.gz WJEVRNBQFADQQI-QGZVFWFLSA-N 1 2 324.428 2.913 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1ccc(C#N)cc1Br)CC2 ZINC000359998548 428110011 /nfs/dbraw/zinc/11/00/11/428110011.db2.gz XIBRAUZEKIVUFI-UHFFFAOYSA-N 1 2 317.190 2.846 20 30 DFEDLO Cc1cccn2cc(CNC(=O)c3ccc(F)c(C#N)c3)[nH+]c12 ZINC000346296830 428113875 /nfs/dbraw/zinc/11/38/75/428113875.db2.gz FFVLBPCCZYODSO-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000377546011 428156657 /nfs/dbraw/zinc/15/66/57/428156657.db2.gz SRZVQPXEBZCHOI-UHFFFAOYSA-N 1 2 315.392 2.578 20 30 DFEDLO Cc1cc(C#N)cc(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000341725547 428171553 /nfs/dbraw/zinc/17/15/53/428171553.db2.gz FIPFNTWJHURVKL-UHFFFAOYSA-N 1 2 303.369 3.119 20 30 DFEDLO Cc1cc(C#N)cc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000341746747 428180050 /nfs/dbraw/zinc/18/00/50/428180050.db2.gz YVBZMHAFGRMYJO-UHFFFAOYSA-N 1 2 303.369 3.119 20 30 DFEDLO C[C@H](C(=O)NCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000360212452 428206061 /nfs/dbraw/zinc/20/60/61/428206061.db2.gz OAVHEXRQAVSQRO-AWEZNQCLSA-N 1 2 308.385 2.675 20 30 DFEDLO N#Cc1cccc([C@@H]2CN(Cc3c[nH+]c4ccccn34)CCO2)c1 ZINC000341808424 428210100 /nfs/dbraw/zinc/21/01/00/428210100.db2.gz HMWPAQPLSQYXQW-SFHVURJKSA-N 1 2 318.380 2.779 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565046 428240805 /nfs/dbraw/zinc/24/08/05/428240805.db2.gz FSGWVPJFBSAIEL-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)no1 ZINC000370565046 428240807 /nfs/dbraw/zinc/24/08/07/428240807.db2.gz FSGWVPJFBSAIEL-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000341976431 428264768 /nfs/dbraw/zinc/26/47/68/428264768.db2.gz KFZNBAGRKWXMMU-UHFFFAOYSA-N 1 2 303.793 2.964 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000341989113 428271765 /nfs/dbraw/zinc/27/17/65/428271765.db2.gz JHZVCOIMUXSLBY-UHFFFAOYSA-N 1 2 318.808 2.740 20 30 DFEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000352860983 428284693 /nfs/dbraw/zinc/28/46/93/428284693.db2.gz DLIBCGGYZOBECS-UHFFFAOYSA-N 1 2 311.414 2.926 20 30 DFEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Cl ZINC000352877527 428292918 /nfs/dbraw/zinc/29/29/18/428292918.db2.gz QZWWJNWNCQXNIU-XJKSGUPXSA-N 1 2 319.836 2.507 20 30 DFEDLO CN(C(=O)c1ccnc(C#N)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352791370 428251338 /nfs/dbraw/zinc/25/13/38/428251338.db2.gz ZEVAWBJOWDAFRH-INIZCTEOSA-N 1 2 317.352 2.538 20 30 DFEDLO C=CC[C@@H](CO)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000342166427 428329112 /nfs/dbraw/zinc/32/91/12/428329112.db2.gz SSOFTGPADVUVOS-CQSZACIVSA-N 1 2 312.369 2.788 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000352995116 428343753 /nfs/dbraw/zinc/34/37/53/428343753.db2.gz WURBPATULNEWDQ-ZDUSSCGKSA-N 1 2 324.384 2.704 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000378436086 428394908 /nfs/dbraw/zinc/39/49/08/428394908.db2.gz PYLDZGZEMYZFAV-AWEZNQCLSA-N 1 2 312.373 2.506 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000378436086 428394914 /nfs/dbraw/zinc/39/49/14/428394914.db2.gz PYLDZGZEMYZFAV-AWEZNQCLSA-N 1 2 312.373 2.506 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOC[C@@H]3c3ccccc3)n2c1 ZINC000372404625 428440057 /nfs/dbraw/zinc/44/00/57/428440057.db2.gz OCSOXVNZPJAXOB-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C[C@@H](C)C#N ZINC000353284242 428468287 /nfs/dbraw/zinc/46/82/87/428468287.db2.gz UTDCYQPGSPHSKR-LBPRGKRZSA-N 1 2 307.360 2.515 20 30 DFEDLO CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C[C@@H](C)C#N ZINC000353284242 428468289 /nfs/dbraw/zinc/46/82/89/428468289.db2.gz UTDCYQPGSPHSKR-LBPRGKRZSA-N 1 2 307.360 2.515 20 30 DFEDLO C=CCCOCCCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342971652 428497532 /nfs/dbraw/zinc/49/75/32/428497532.db2.gz NGEGYMZFJXLGRA-KRWDZBQOSA-N 1 2 318.417 2.824 20 30 DFEDLO C#CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000372758837 428501424 /nfs/dbraw/zinc/50/14/24/428501424.db2.gz CNKUFAYAQATVNH-JCGIZDLHSA-N 1 2 322.412 2.823 20 30 DFEDLO COCC1(C#N)CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000343164328 428529930 /nfs/dbraw/zinc/52/99/30/428529930.db2.gz VPNHYJYXAHZHFO-UHFFFAOYSA-N 1 2 311.385 3.000 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000373456290 428581120 /nfs/dbraw/zinc/58/11/20/428581120.db2.gz YYTABIYOUWKRFC-XZJROXQQSA-N 1 2 317.820 2.830 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000373456290 428581129 /nfs/dbraw/zinc/58/11/29/428581129.db2.gz YYTABIYOUWKRFC-XZJROXQQSA-N 1 2 317.820 2.830 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000361634567 428585332 /nfs/dbraw/zinc/58/53/32/428585332.db2.gz BPBPDOFYPDHGFT-UHFFFAOYSA-N 1 2 308.451 2.857 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000361634567 428585335 /nfs/dbraw/zinc/58/53/35/428585335.db2.gz BPBPDOFYPDHGFT-UHFFFAOYSA-N 1 2 308.451 2.857 20 30 DFEDLO CC(C)c1cnc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)s1 ZINC000373488253 428591698 /nfs/dbraw/zinc/59/16/98/428591698.db2.gz GNIPWOAJWIUIGQ-UHFFFAOYSA-N 1 2 316.434 2.567 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373292241 428539353 /nfs/dbraw/zinc/53/93/53/428539353.db2.gz NTYCETASMJBUKB-OAHLLOKOSA-N 1 2 315.392 2.639 20 30 DFEDLO Cn1nccc1[C@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000343278261 428543354 /nfs/dbraw/zinc/54/33/54/428543354.db2.gz GZQBKWRWJWBOIO-YOEHRIQHSA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1nccc1[C@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000343278261 428543359 /nfs/dbraw/zinc/54/33/59/428543359.db2.gz GZQBKWRWJWBOIO-YOEHRIQHSA-N 1 2 314.389 2.507 20 30 DFEDLO C#CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361235139 428550691 /nfs/dbraw/zinc/55/06/91/428550691.db2.gz XKLTUEVSHARBOK-GJZGRUSLSA-N 1 2 323.799 2.547 20 30 DFEDLO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361235139 428550696 /nfs/dbraw/zinc/55/06/96/428550696.db2.gz XKLTUEVSHARBOK-GJZGRUSLSA-N 1 2 323.799 2.547 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000353489998 428561102 /nfs/dbraw/zinc/56/11/02/428561102.db2.gz DHQHEGIAARFVIO-SFHVURJKSA-N 1 2 310.401 2.830 20 30 DFEDLO C=CCC(CC=C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000343690580 428566598 /nfs/dbraw/zinc/56/65/98/428566598.db2.gz YYXYJUVMVJCHPZ-UHFFFAOYSA-N 1 2 309.413 3.531 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000353566249 428596650 /nfs/dbraw/zinc/59/66/50/428596650.db2.gz ARJYIWNIZBSXNT-OAHLLOKOSA-N 1 2 316.401 2.743 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000353566249 428596655 /nfs/dbraw/zinc/59/66/55/428596655.db2.gz ARJYIWNIZBSXNT-OAHLLOKOSA-N 1 2 316.401 2.743 20 30 DFEDLO CCc1cnc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)s1 ZINC000353566372 428598168 /nfs/dbraw/zinc/59/81/68/428598168.db2.gz HYIHDWKCAZMOKD-UHFFFAOYSA-N 1 2 318.471 2.961 20 30 DFEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1F ZINC000362077405 428614138 /nfs/dbraw/zinc/61/41/38/428614138.db2.gz NYTULNIPBKJINV-UHFFFAOYSA-N 1 2 324.359 3.306 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cccc(C#N)c3)cc2[nH+]1 ZINC000344079648 428622532 /nfs/dbraw/zinc/62/25/32/428622532.db2.gz DPBOIGXSEWKCJR-UHFFFAOYSA-N 1 2 305.341 2.753 20 30 DFEDLO C=C(Br)C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373755695 428647130 /nfs/dbraw/zinc/64/71/30/428647130.db2.gz AOBBQEYJMCZNED-ZDUSSCGKSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373755695 428647136 /nfs/dbraw/zinc/64/71/36/428647136.db2.gz AOBBQEYJMCZNED-ZDUSSCGKSA-N 1 2 304.228 2.555 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000348321387 428707191 /nfs/dbraw/zinc/70/71/91/428707191.db2.gz ZPOXPKGVDVTBAE-HNNXBMFYSA-N 1 2 309.369 2.794 20 30 DFEDLO C=C(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000348251465 428678824 /nfs/dbraw/zinc/67/88/24/428678824.db2.gz ZNTGNLFOGSOYCN-UHFFFAOYSA-N 1 2 300.362 2.907 20 30 DFEDLO C=C(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000348251465 428678832 /nfs/dbraw/zinc/67/88/32/428678832.db2.gz ZNTGNLFOGSOYCN-UHFFFAOYSA-N 1 2 300.362 2.907 20 30 DFEDLO C=CC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416168727 428680330 /nfs/dbraw/zinc/68/03/30/428680330.db2.gz ZWSRFRPIGMAGCE-ZDUSSCGKSA-N 1 2 309.413 2.917 20 30 DFEDLO C=CC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416168727 428680332 /nfs/dbraw/zinc/68/03/32/428680332.db2.gz ZWSRFRPIGMAGCE-ZDUSSCGKSA-N 1 2 309.413 2.917 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416202785 428690440 /nfs/dbraw/zinc/69/04/40/428690440.db2.gz KENVUYVRASLYGO-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416202785 428690442 /nfs/dbraw/zinc/69/04/42/428690442.db2.gz KENVUYVRASLYGO-ZDUSSCGKSA-N 1 2 322.412 2.645 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411190145 428756395 /nfs/dbraw/zinc/75/63/95/428756395.db2.gz HNVATPPHELUFDC-AWEZNQCLSA-N 1 2 319.405 2.838 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411190145 428756400 /nfs/dbraw/zinc/75/64/00/428756400.db2.gz HNVATPPHELUFDC-AWEZNQCLSA-N 1 2 319.405 2.838 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000362583288 428792416 /nfs/dbraw/zinc/79/24/16/428792416.db2.gz IFRBRRHJBADLDG-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000362583288 428792418 /nfs/dbraw/zinc/79/24/18/428792418.db2.gz IFRBRRHJBADLDG-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C=CC[N@@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C1CC1 ZINC000411455608 428800575 /nfs/dbraw/zinc/80/05/75/428800575.db2.gz YPAZNTKFIALJSM-UHFFFAOYSA-N 1 2 304.390 2.641 20 30 DFEDLO C=CC[N@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C1CC1 ZINC000411455608 428800581 /nfs/dbraw/zinc/80/05/81/428800581.db2.gz YPAZNTKFIALJSM-UHFFFAOYSA-N 1 2 304.390 2.641 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000411500837 428808683 /nfs/dbraw/zinc/80/86/83/428808683.db2.gz GBHFWGGRSRPKFH-HZPDHXFCSA-N 1 2 322.449 2.798 20 30 DFEDLO C=CCC1(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCC1 ZINC000418267309 428909745 /nfs/dbraw/zinc/90/97/45/428909745.db2.gz WGKOKJHADHWWEQ-CYBMUJFWSA-N 1 2 315.408 2.667 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000354107774 428865008 /nfs/dbraw/zinc/86/50/08/428865008.db2.gz SKAIJLCMHBHHGK-UHFFFAOYSA-N 1 2 318.336 2.966 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000354108406 428865200 /nfs/dbraw/zinc/86/52/00/428865200.db2.gz VMGLJVSGSXYUGJ-GFCCVEGCSA-N 1 2 309.373 2.772 20 30 DFEDLO CCc1cc(Nc2cnn(-c3ncccc3C#N)c2)nc(C)[nH+]1 ZINC000359217127 428870870 /nfs/dbraw/zinc/87/08/70/428870870.db2.gz BQEFXKJPRQTGFE-UHFFFAOYSA-N 1 2 305.345 2.543 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCC1 ZINC000418140657 428888012 /nfs/dbraw/zinc/88/80/12/428888012.db2.gz JXFJZKZVJBZFJW-UHFFFAOYSA-N 1 2 310.300 2.800 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349237995 428942583 /nfs/dbraw/zinc/94/25/83/428942583.db2.gz JIHJYJPSXLDNDL-FUHWJXTLSA-N 1 2 320.477 2.857 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349237995 428942587 /nfs/dbraw/zinc/94/25/87/428942587.db2.gz JIHJYJPSXLDNDL-FUHWJXTLSA-N 1 2 320.477 2.857 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc(Cl)c(C)c1C#N)CCC2 ZINC000363683431 428967467 /nfs/dbraw/zinc/96/74/67/428967467.db2.gz YLBBYCZAXGZUCT-LBPRGKRZSA-N 1 2 315.808 3.410 20 30 DFEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000420928818 428975311 /nfs/dbraw/zinc/97/53/11/428975311.db2.gz PWZZOMSLXJROTF-VXGBXAGGSA-N 1 2 321.446 2.957 20 30 DFEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000420928818 428975316 /nfs/dbraw/zinc/97/53/16/428975316.db2.gz PWZZOMSLXJROTF-VXGBXAGGSA-N 1 2 321.446 2.957 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000354592059 428999488 /nfs/dbraw/zinc/99/94/88/428999488.db2.gz CBXYHBKGQRWMJF-QGZVFWFLSA-N 1 2 302.422 2.842 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000349524975 429000792 /nfs/dbraw/zinc/00/07/92/429000792.db2.gz UNVSMSQUEQQOPX-GOSISDBHSA-N 1 2 310.401 2.530 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000349613449 429013503 /nfs/dbraw/zinc/01/35/03/429013503.db2.gz MKAGIPRJCCXYPX-UHFFFAOYSA-N 1 2 322.437 2.809 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000349613449 429013507 /nfs/dbraw/zinc/01/35/07/429013507.db2.gz MKAGIPRJCCXYPX-UHFFFAOYSA-N 1 2 322.437 2.809 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000355436218 429046327 /nfs/dbraw/zinc/04/63/27/429046327.db2.gz QGWCQHIZFTWWOU-AWEZNQCLSA-N 1 2 305.397 2.656 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000355436218 429046330 /nfs/dbraw/zinc/04/63/30/429046330.db2.gz QGWCQHIZFTWWOU-AWEZNQCLSA-N 1 2 305.397 2.656 20 30 DFEDLO C=CCCC1(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000355605475 429054758 /nfs/dbraw/zinc/05/47/58/429054758.db2.gz JOSUVMPAYNWXAS-UHFFFAOYSA-N 1 2 319.474 2.924 20 30 DFEDLO C=CCCC1(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000355605475 429054762 /nfs/dbraw/zinc/05/47/62/429054762.db2.gz JOSUVMPAYNWXAS-UHFFFAOYSA-N 1 2 319.474 2.924 20 30 DFEDLO CC(C)(CCC#N)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453229006 429146960 /nfs/dbraw/zinc/14/69/60/429146960.db2.gz PAEGFBIRZFFTKA-OAHLLOKOSA-N 1 2 301.369 2.953 20 30 DFEDLO CC(C)(CCC#N)C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453229006 429146966 /nfs/dbraw/zinc/14/69/66/429146966.db2.gz PAEGFBIRZFFTKA-OAHLLOKOSA-N 1 2 301.369 2.953 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)nn1 ZINC000424297931 429123613 /nfs/dbraw/zinc/12/36/13/429123613.db2.gz RLPJTBTYAUFFOO-LLVKDONJSA-N 1 2 306.797 2.977 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)c1 ZINC000435673404 429157206 /nfs/dbraw/zinc/15/72/06/429157206.db2.gz CBGDWFDWDDWIMG-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO C=CC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452778317 429138358 /nfs/dbraw/zinc/13/83/58/429138358.db2.gz QEFLIMRPLMBKCR-UHFFFAOYSA-N 1 2 314.345 2.723 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000494689433 429141506 /nfs/dbraw/zinc/14/15/06/429141506.db2.gz WBICJYAXCWXFPK-OAHLLOKOSA-N 1 2 302.422 2.512 20 30 DFEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C#N ZINC000487907972 429172853 /nfs/dbraw/zinc/17/28/53/429172853.db2.gz JFASNKSINXOLDZ-QGZVFWFLSA-N 1 2 321.359 3.336 20 30 DFEDLO C[C@@H](C#N)C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000488117709 429176992 /nfs/dbraw/zinc/17/69/92/429176992.db2.gz ZFLMTZFXKGLUTR-ZDUSSCGKSA-N 1 2 314.385 2.655 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000488117709 429176995 /nfs/dbraw/zinc/17/69/95/429176995.db2.gz ZFLMTZFXKGLUTR-ZDUSSCGKSA-N 1 2 314.385 2.655 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000436072425 429177881 /nfs/dbraw/zinc/17/78/81/429177881.db2.gz FNVNITGINQGODX-UHFFFAOYSA-N 1 2 320.352 2.635 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000364348845 429186926 /nfs/dbraw/zinc/18/69/26/429186926.db2.gz VGNOSLHOHHMDQY-INIZCTEOSA-N 1 2 317.820 2.702 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000364348845 429186932 /nfs/dbraw/zinc/18/69/32/429186932.db2.gz VGNOSLHOHHMDQY-INIZCTEOSA-N 1 2 317.820 2.702 20 30 DFEDLO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000364513152 429217971 /nfs/dbraw/zinc/21/79/71/429217971.db2.gz ZHAVVKWTYIGFDF-CQSZACIVSA-N 1 2 317.824 2.929 20 30 DFEDLO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000364513152 429217974 /nfs/dbraw/zinc/21/79/74/429217974.db2.gz ZHAVVKWTYIGFDF-CQSZACIVSA-N 1 2 317.824 2.929 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C/c2cccc(OC)c2O)C1 ZINC000495533833 429218991 /nfs/dbraw/zinc/21/89/91/429218991.db2.gz OLMNFIUKLYSHKT-KCELOSIBSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489189550 429222072 /nfs/dbraw/zinc/22/20/72/429222072.db2.gz QSURHLBXZXQPQO-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489189550 429222077 /nfs/dbraw/zinc/22/20/77/429222077.db2.gz QSURHLBXZXQPQO-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000455963462 429228307 /nfs/dbraw/zinc/22/83/07/429228307.db2.gz BPCGZHBHGMXNPN-UHFFFAOYSA-N 1 2 324.384 2.809 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000441183062 429230045 /nfs/dbraw/zinc/23/00/45/429230045.db2.gz ZWOWICNKDYERLB-HZPDHXFCSA-N 1 2 307.846 2.898 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000441183062 429230049 /nfs/dbraw/zinc/23/00/49/429230049.db2.gz ZWOWICNKDYERLB-HZPDHXFCSA-N 1 2 307.846 2.898 20 30 DFEDLO CC[N@H+](CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425403074 429286785 /nfs/dbraw/zinc/28/67/85/429286785.db2.gz SSEYZRLYYOLRDB-JKSUJKDBSA-N 1 2 314.433 2.894 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425403074 429286788 /nfs/dbraw/zinc/28/67/88/429286788.db2.gz SSEYZRLYYOLRDB-JKSUJKDBSA-N 1 2 314.433 2.894 20 30 DFEDLO Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425208496 429245893 /nfs/dbraw/zinc/24/58/93/429245893.db2.gz PEVQFGXSYOGXHY-UHFFFAOYSA-N 1 2 320.396 2.533 20 30 DFEDLO Cc1cc(NCC2(c3ccccc3)CCOCC2)c(C#N)c[nH+]1 ZINC000425207486 429246133 /nfs/dbraw/zinc/24/61/33/429246133.db2.gz MSLAMSQNHCDJKN-UHFFFAOYSA-N 1 2 307.397 2.844 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489497083 429247057 /nfs/dbraw/zinc/24/70/57/429247057.db2.gz NVSMPEWDYMZYET-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489497083 429247058 /nfs/dbraw/zinc/24/70/58/429247058.db2.gz NVSMPEWDYMZYET-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO CCCCCC(=O)NC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425223538 429248473 /nfs/dbraw/zinc/24/84/73/429248473.db2.gz NDUDLLCBFXQEJH-UHFFFAOYSA-N 1 2 314.433 2.927 20 30 DFEDLO COc1cc2c(cc1CNc1cc(C)[nH+]cc1C#N)O[C@@H](C)C2 ZINC000425245304 429250739 /nfs/dbraw/zinc/25/07/39/429250739.db2.gz WLJGHIXRWBVMAV-LBPRGKRZSA-N 1 2 309.369 2.628 20 30 DFEDLO CCOC(=O)[C@@](C)(CNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000425258571 429253218 /nfs/dbraw/zinc/25/32/18/429253218.db2.gz TZIJNWMQNYHMQF-IBGZPJMESA-N 1 2 323.396 2.617 20 30 DFEDLO Cc1cc(N2CC[C@@](O)(Cc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425285259 429258019 /nfs/dbraw/zinc/25/80/19/429258019.db2.gz SMCLSLDQUNJZGO-GOSISDBHSA-N 1 2 311.360 2.585 20 30 DFEDLO COCC[N@H+](CC#Cc1ccccc1Cl)Cc1ccnn1C ZINC000489895566 429265843 /nfs/dbraw/zinc/26/58/43/429265843.db2.gz YVFATKXAQSWVRL-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO COCC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccnn1C ZINC000489895566 429265847 /nfs/dbraw/zinc/26/58/47/429265847.db2.gz YVFATKXAQSWVRL-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO C=CC[N@H+](CC1(C)COC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444686056 429274488 /nfs/dbraw/zinc/27/44/88/429274488.db2.gz UTXZFRMSMAHFJS-KRWDZBQOSA-N 1 2 317.429 2.685 20 30 DFEDLO C=CC[N@@H+](CC1(C)COC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444686056 429274494 /nfs/dbraw/zinc/27/44/94/429274494.db2.gz UTXZFRMSMAHFJS-KRWDZBQOSA-N 1 2 317.429 2.685 20 30 DFEDLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444728870 429276304 /nfs/dbraw/zinc/27/63/04/429276304.db2.gz CIZWGRVNOASRQC-CYBMUJFWSA-N 1 2 303.381 2.517 20 30 DFEDLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000444728870 429276310 /nfs/dbraw/zinc/27/63/10/429276310.db2.gz CIZWGRVNOASRQC-CYBMUJFWSA-N 1 2 303.381 2.517 20 30 DFEDLO Cc1cc(N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000497027200 429318443 /nfs/dbraw/zinc/31/84/43/429318443.db2.gz RJOHEDJVYKQFKC-OLZOCXBDSA-N 1 2 318.421 2.787 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497121657 429318936 /nfs/dbraw/zinc/31/89/36/429318936.db2.gz ADHBPNJGKJWHPY-MWLCHTKSSA-N 1 2 319.243 2.740 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497121657 429318940 /nfs/dbraw/zinc/31/89/40/429318940.db2.gz ADHBPNJGKJWHPY-MWLCHTKSSA-N 1 2 319.243 2.740 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)nnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000449016606 429323204 /nfs/dbraw/zinc/32/32/04/429323204.db2.gz FJBAAMRISLHEPG-UHFFFAOYSA-N 1 2 315.377 2.703 20 30 DFEDLO C=CC[N@H+](Cc1c(C)nnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000449016606 429323208 /nfs/dbraw/zinc/32/32/08/429323208.db2.gz FJBAAMRISLHEPG-UHFFFAOYSA-N 1 2 315.377 2.703 20 30 DFEDLO COc1nccnc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000449050413 429323221 /nfs/dbraw/zinc/32/32/21/429323221.db2.gz UMNRRDDLRODPIP-DOTOQJQBSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccnc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000449050413 429323226 /nfs/dbraw/zinc/32/32/26/429323226.db2.gz UMNRRDDLRODPIP-DOTOQJQBSA-N 1 2 308.385 2.757 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000491209670 429335683 /nfs/dbraw/zinc/33/56/83/429335683.db2.gz KDSFDKOYEMSQHG-UHFFFAOYSA-N 1 2 309.394 2.694 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000491209670 429335687 /nfs/dbraw/zinc/33/56/87/429335687.db2.gz KDSFDKOYEMSQHG-UHFFFAOYSA-N 1 2 309.394 2.694 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000491264908 429341460 /nfs/dbraw/zinc/34/14/60/429341460.db2.gz IRDZUKCCUSVATF-QGZVFWFLSA-N 1 2 324.428 2.779 20 30 DFEDLO C#C[C@@H](CC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491298258 429346199 /nfs/dbraw/zinc/34/61/99/429346199.db2.gz VEFRTNCWXXERRS-LBPRGKRZSA-N 1 2 316.792 2.737 20 30 DFEDLO C#CC[N@@H+](CC#CC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000490781203 429305640 /nfs/dbraw/zinc/30/56/40/429305640.db2.gz YJCIMRDSDNXFSC-UHFFFAOYSA-N 1 2 300.427 2.919 20 30 DFEDLO C#CC[N@H+](CC#CC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000490781203 429305642 /nfs/dbraw/zinc/30/56/42/429305642.db2.gz YJCIMRDSDNXFSC-UHFFFAOYSA-N 1 2 300.427 2.919 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC#Cc2ccccc2)s1 ZINC000425489123 429308613 /nfs/dbraw/zinc/30/86/13/429308613.db2.gz NOXJIRSMIRTFTI-GFCCVEGCSA-N 1 2 300.383 2.632 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cn1cnc(-c2ccccn2)n1 ZINC000490893272 429312027 /nfs/dbraw/zinc/31/20/27/429312027.db2.gz SIZQSUCFKGFRKA-UHFFFAOYSA-N 1 2 321.359 2.572 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cn1cnc(-c2ccccn2)n1 ZINC000490893272 429312033 /nfs/dbraw/zinc/31/20/33/429312033.db2.gz SIZQSUCFKGFRKA-UHFFFAOYSA-N 1 2 321.359 2.572 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000496255322 429312754 /nfs/dbraw/zinc/31/27/54/429312754.db2.gz OTEQKWHDZKGNCC-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000496255322 429312757 /nfs/dbraw/zinc/31/27/57/429312757.db2.gz OTEQKWHDZKGNCC-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C#CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000490935881 429313642 /nfs/dbraw/zinc/31/36/42/429313642.db2.gz OUVVWSZALFQQSG-VIFPVBQESA-N 1 2 306.163 2.783 20 30 DFEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496728097 429316099 /nfs/dbraw/zinc/31/60/99/429316099.db2.gz QFYCWPCYDOADHU-ZDUSSCGKSA-N 1 2 322.434 2.504 20 30 DFEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496728097 429316104 /nfs/dbraw/zinc/31/61/04/429316104.db2.gz QFYCWPCYDOADHU-ZDUSSCGKSA-N 1 2 322.434 2.504 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000448714754 429316530 /nfs/dbraw/zinc/31/65/30/429316530.db2.gz QSRIJJUKURMTBV-UHFFFAOYSA-N 1 2 323.400 2.510 20 30 DFEDLO C#C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc(Cl)cc1 ZINC000491696991 429391601 /nfs/dbraw/zinc/39/16/01/429391601.db2.gz ZJFVECPBRYLWGY-HNNXBMFYSA-N 1 2 312.804 2.904 20 30 DFEDLO C#C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc(Cl)cc1 ZINC000491696991 429391604 /nfs/dbraw/zinc/39/16/04/429391604.db2.gz ZJFVECPBRYLWGY-HNNXBMFYSA-N 1 2 312.804 2.904 20 30 DFEDLO Cc1cccn2cc(CNC(=O)/C=C/c3cccc(C#N)c3)[nH+]c12 ZINC000491727618 429397512 /nfs/dbraw/zinc/39/75/12/429397512.db2.gz DDMQPPNURONJEG-BQYQJAHWSA-N 1 2 316.364 2.844 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000491744911 429401770 /nfs/dbraw/zinc/40/17/70/429401770.db2.gz MMCPGKHOCHTWPN-INIZCTEOSA-N 1 2 322.343 2.647 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2cccc(F)c2)n1 ZINC000491749614 429402783 /nfs/dbraw/zinc/40/27/83/429402783.db2.gz TZBMTQXVYFXWEC-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2cccc(F)c2)n1 ZINC000491749614 429402788 /nfs/dbraw/zinc/40/27/88/429402788.db2.gz TZBMTQXVYFXWEC-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000491750700 429402806 /nfs/dbraw/zinc/40/28/06/429402806.db2.gz WYIZDHQGJMKORW-MRXNPFEDSA-N 1 2 322.343 2.647 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000491774009 429405251 /nfs/dbraw/zinc/40/52/51/429405251.db2.gz WKAAGBUZONTNAI-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000491774009 429405255 /nfs/dbraw/zinc/40/52/55/429405255.db2.gz WKAAGBUZONTNAI-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CC[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000491781659 429407728 /nfs/dbraw/zinc/40/77/28/429407728.db2.gz MZOZGHYAMNCDIH-UHFFFAOYSA-N 1 2 308.341 2.765 20 30 DFEDLO C#CC[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000491781659 429407734 /nfs/dbraw/zinc/40/77/34/429407734.db2.gz MZOZGHYAMNCDIH-UHFFFAOYSA-N 1 2 308.341 2.765 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000449238618 429364868 /nfs/dbraw/zinc/36/48/68/429364868.db2.gz GZSDNYUKWMURHB-UHFFFAOYSA-N 1 2 307.825 2.816 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000491526238 429369973 /nfs/dbraw/zinc/36/99/73/429369973.db2.gz YMHABPVEPOUVLB-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000491526238 429369976 /nfs/dbraw/zinc/36/99/76/429369976.db2.gz YMHABPVEPOUVLB-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000491526237 429370741 /nfs/dbraw/zinc/37/07/41/429370741.db2.gz YMHABPVEPOUVLB-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000491526237 429370744 /nfs/dbraw/zinc/37/07/44/429370744.db2.gz YMHABPVEPOUVLB-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000514769155 429371175 /nfs/dbraw/zinc/37/11/75/429371175.db2.gz IMYVDPIRVWXCPZ-QGZVFWFLSA-N 1 2 303.369 3.197 20 30 DFEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000514769154 429371387 /nfs/dbraw/zinc/37/13/87/429371387.db2.gz IMYVDPIRVWXCPZ-KRWDZBQOSA-N 1 2 303.369 3.197 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000491641308 429383399 /nfs/dbraw/zinc/38/33/99/429383399.db2.gz PXCBMZYRUOWOAQ-CYBMUJFWSA-N 1 2 305.447 2.762 20 30 DFEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000491641308 429383404 /nfs/dbraw/zinc/38/34/04/429383404.db2.gz PXCBMZYRUOWOAQ-CYBMUJFWSA-N 1 2 305.447 2.762 20 30 DFEDLO C#C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000491637198 429383720 /nfs/dbraw/zinc/38/37/20/429383720.db2.gz WTVANDBJPFRASV-OAHLLOKOSA-N 1 2 308.316 2.969 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000491646233 429384984 /nfs/dbraw/zinc/38/49/84/429384984.db2.gz SAIUXGAZZVKUQD-ZIAGYGMSSA-N 1 2 315.442 2.830 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000491646233 429384989 /nfs/dbraw/zinc/38/49/89/429384989.db2.gz SAIUXGAZZVKUQD-ZIAGYGMSSA-N 1 2 315.442 2.830 20 30 DFEDLO C#C[C@H]1COCC[N@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491796005 429410790 /nfs/dbraw/zinc/41/07/90/429410790.db2.gz YJXNGIDIGSJHRD-KRWDZBQOSA-N 1 2 314.429 2.665 20 30 DFEDLO C#C[C@H]1COCC[N@@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491796005 429410796 /nfs/dbraw/zinc/41/07/96/429410796.db2.gz YJXNGIDIGSJHRD-KRWDZBQOSA-N 1 2 314.429 2.665 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366228124 429439514 /nfs/dbraw/zinc/43/95/14/429439514.db2.gz LIKXTMTWWXYYDF-GOEBONIOSA-N 1 2 308.385 2.773 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000366228124 429439517 /nfs/dbraw/zinc/43/95/17/429439517.db2.gz LIKXTMTWWXYYDF-GOEBONIOSA-N 1 2 308.385 2.773 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491816430 429414775 /nfs/dbraw/zinc/41/47/75/429414775.db2.gz WSFGZKMHMWXGDW-IUODEOHRSA-N 1 2 316.792 2.599 20 30 DFEDLO N#C[C@H]1N(Cc2cccc3[nH+]ccn32)CCC[C@@]12CCCCO2 ZINC000366151109 429426589 /nfs/dbraw/zinc/42/65/89/429426589.db2.gz INCCGHLQMAYKDK-AEFFLSMTSA-N 1 2 310.401 2.762 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491924482 429434908 /nfs/dbraw/zinc/43/49/08/429434908.db2.gz IXTOQFAREMDAKA-FPLPWBNLSA-N 1 2 308.385 2.740 20 30 DFEDLO N#CCOc1ccc(/C=C/C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000491940673 429437574 /nfs/dbraw/zinc/43/75/74/429437574.db2.gz QZPGHVZJBDCYDX-RMKNXTFCSA-N 1 2 318.336 2.889 20 30 DFEDLO C=CCC[C@H](NCc1cn2cc(C)ccc2[nH+]1)C(=O)OCC ZINC000449658656 429471492 /nfs/dbraw/zinc/47/14/92/429471492.db2.gz TZJCTMLZDNFPHH-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000519643701 429476146 /nfs/dbraw/zinc/47/61/46/429476146.db2.gz LJCKBSOPSFNQGG-UHFFFAOYSA-N 1 2 307.344 2.919 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCCOC2)O1 ZINC000366569009 429478003 /nfs/dbraw/zinc/47/80/03/429478003.db2.gz LBBKZLLZNUQWBM-YJBOKZPZSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCCOC2)O1 ZINC000366569009 429478007 /nfs/dbraw/zinc/47/80/07/429478007.db2.gz LBBKZLLZNUQWBM-YJBOKZPZSA-N 1 2 319.832 2.961 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCC(C)(C)CC#N ZINC000457532628 429483062 /nfs/dbraw/zinc/48/30/62/429483062.db2.gz UWGGWWACXYELQZ-UHFFFAOYSA-N 1 2 313.405 2.584 20 30 DFEDLO CCc1nc(C)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000428440201 429523339 /nfs/dbraw/zinc/52/33/39/429523339.db2.gz DGXYGCLCKMGQAP-UHFFFAOYSA-N 1 2 324.428 2.735 20 30 DFEDLO CCc1nc(C)c(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000428440201 429523344 /nfs/dbraw/zinc/52/33/44/429523344.db2.gz DGXYGCLCKMGQAP-UHFFFAOYSA-N 1 2 324.428 2.735 20 30 DFEDLO CCCCCCCS(=O)(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000367036967 429563817 /nfs/dbraw/zinc/56/38/17/429563817.db2.gz QGGXWMQRDBFUHM-CQSZACIVSA-N 1 2 313.467 2.650 20 30 DFEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367047270 429566450 /nfs/dbraw/zinc/56/64/50/429566450.db2.gz HGEISKOPEQOTPD-QGZVFWFLSA-N 1 2 320.400 2.667 20 30 DFEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367047270 429566454 /nfs/dbraw/zinc/56/64/54/429566454.db2.gz HGEISKOPEQOTPD-QGZVFWFLSA-N 1 2 320.400 2.667 20 30 DFEDLO CC[C@H](NC(=O)/C=C\c1ccc(OCC#N)cc1)c1[nH]cc[nH+]1 ZINC000492619010 429579689 /nfs/dbraw/zinc/57/96/89/429579689.db2.gz GZFUPLLKBOFCRT-KKTNHOPESA-N 1 2 310.357 2.593 20 30 DFEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000492852842 429629174 /nfs/dbraw/zinc/62/91/74/429629174.db2.gz ACMDYAXXHSPCFF-ZFDPJTLLSA-N 1 2 320.274 2.823 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895120 429639409 /nfs/dbraw/zinc/63/94/09/429639409.db2.gz HRWOJVWAHGJGNG-PIIXRYACSA-N 1 2 306.369 2.721 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000523449808 429607728 /nfs/dbraw/zinc/60/77/28/429607728.db2.gz YQBWVUDVLKAYIC-SGTLLEGYSA-N 1 2 315.392 2.553 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000523449808 429607731 /nfs/dbraw/zinc/60/77/31/429607731.db2.gz YQBWVUDVLKAYIC-SGTLLEGYSA-N 1 2 315.392 2.553 20 30 DFEDLO C#CCCCNC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367491837 429658677 /nfs/dbraw/zinc/65/86/77/429658677.db2.gz XRUJCMWAFWNNRO-MRXNPFEDSA-N 1 2 319.836 2.752 20 30 DFEDLO C#CCCCNC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367491837 429658680 /nfs/dbraw/zinc/65/86/80/429658680.db2.gz XRUJCMWAFWNNRO-MRXNPFEDSA-N 1 2 319.836 2.752 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430278186 429672281 /nfs/dbraw/zinc/67/22/81/429672281.db2.gz PGHIMKRTIIBWRL-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430278186 429672285 /nfs/dbraw/zinc/67/22/85/429672285.db2.gz PGHIMKRTIIBWRL-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(=O)OC)cs1 ZINC000450693528 429679338 /nfs/dbraw/zinc/67/93/38/429679338.db2.gz DSNDQPJGEKFJGD-UHFFFAOYSA-N 1 2 306.387 2.753 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(=O)OC)cs1 ZINC000450693528 429679342 /nfs/dbraw/zinc/67/93/42/429679342.db2.gz DSNDQPJGEKFJGD-UHFFFAOYSA-N 1 2 306.387 2.753 20 30 DFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC2(C#N)CCC2)n1C ZINC000450786060 429699461 /nfs/dbraw/zinc/69/94/61/429699461.db2.gz CNDPSKSXZSIMQI-HNNXBMFYSA-N 1 2 314.433 2.606 20 30 DFEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)n1C ZINC000450786060 429699466 /nfs/dbraw/zinc/69/94/66/429699466.db2.gz CNDPSKSXZSIMQI-HNNXBMFYSA-N 1 2 314.433 2.606 20 30 DFEDLO CC(C)CO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362438 429695904 /nfs/dbraw/zinc/69/59/04/429695904.db2.gz JPBAGIRVXZHUKV-AWEZNQCLSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)CO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362438 429695907 /nfs/dbraw/zinc/69/59/07/429695907.db2.gz JPBAGIRVXZHUKV-AWEZNQCLSA-N 1 2 303.362 2.713 20 30 DFEDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000459334160 429695935 /nfs/dbraw/zinc/69/59/35/429695935.db2.gz FNGPGCSVBDYPBW-OAHLLOKOSA-N 1 2 311.345 2.537 20 30 DFEDLO Cn1cc([C@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000459334160 429695938 /nfs/dbraw/zinc/69/59/38/429695938.db2.gz FNGPGCSVBDYPBW-OAHLLOKOSA-N 1 2 311.345 2.537 20 30 DFEDLO C=CCC1(CNc2cc(N3CCOCC3)nc[nH+]2)CCCC1 ZINC000450842731 429712199 /nfs/dbraw/zinc/71/21/99/429712199.db2.gz GZAZGTCLIOFWDQ-UHFFFAOYSA-N 1 2 302.422 2.862 20 30 DFEDLO C=CCC1(CNc2cc(N3CCOCC3)[nH+]cn2)CCCC1 ZINC000450842731 429712201 /nfs/dbraw/zinc/71/22/01/429712201.db2.gz GZAZGTCLIOFWDQ-UHFFFAOYSA-N 1 2 302.422 2.862 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493233605 429718549 /nfs/dbraw/zinc/71/85/49/429718549.db2.gz CFTJIHXCDOWRHL-DEBLGDTFSA-N 1 2 324.384 2.696 20 30 DFEDLO CCOc1cccc(N2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000483924715 429739240 /nfs/dbraw/zinc/73/92/40/429739240.db2.gz HHRQHGJHFFYVOH-UHFFFAOYSA-N 1 2 321.424 2.654 20 30 DFEDLO Cc1nc([C@@H](C)[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000368133526 429796249 /nfs/dbraw/zinc/79/62/49/429796249.db2.gz VMPZCUIKMMMLIJ-CYBMUJFWSA-N 1 2 311.389 2.523 20 30 DFEDLO Cc1nc([C@@H](C)[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000368133526 429796252 /nfs/dbraw/zinc/79/62/52/429796252.db2.gz VMPZCUIKMMMLIJ-CYBMUJFWSA-N 1 2 311.389 2.523 20 30 DFEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000527455397 429751673 /nfs/dbraw/zinc/75/16/73/429751673.db2.gz ZZZSNTIUOYKPNE-KRWDZBQOSA-N 1 2 324.428 2.986 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)/C=C\c2ccc(C#N)cc2)CC1(C)C ZINC000493446690 429765012 /nfs/dbraw/zinc/76/50/12/429765012.db2.gz BMIZXGUNZUMXOL-XZVRFQMRSA-N 1 2 320.396 2.915 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368027193 429770253 /nfs/dbraw/zinc/77/02/53/429770253.db2.gz UOVBRVOEBLYHRT-OAHLLOKOSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368027193 429770257 /nfs/dbraw/zinc/77/02/57/429770257.db2.gz UOVBRVOEBLYHRT-OAHLLOKOSA-N 1 2 304.756 2.994 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493501304 429775511 /nfs/dbraw/zinc/77/55/11/429775511.db2.gz UJDDDDSACFHIDR-WTKPLQERSA-N 1 2 310.357 2.768 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(F)cc1 ZINC000431737116 429779819 /nfs/dbraw/zinc/77/98/19/429779819.db2.gz FAEWRNQDQWSKDG-OAHLLOKOSA-N 1 2 324.315 2.543 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)o1)c1ccccc1F ZINC000431744441 429780679 /nfs/dbraw/zinc/78/06/79/429780679.db2.gz MHDFODOIAVXTSM-OAHLLOKOSA-N 1 2 324.315 2.543 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000368341269 429832828 /nfs/dbraw/zinc/83/28/28/429832828.db2.gz XLSNXRKRRKZIPL-HNNXBMFYSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000368341269 429832833 /nfs/dbraw/zinc/83/28/33/429832833.db2.gz XLSNXRKRRKZIPL-HNNXBMFYSA-N 1 2 314.776 2.655 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1coc(S(C)(=O)=O)c1 ZINC000528441302 429889541 /nfs/dbraw/zinc/88/95/41/429889541.db2.gz UXXRRYFULGCFSG-UHFFFAOYSA-N 1 2 309.387 2.507 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1coc(S(C)(=O)=O)c1 ZINC000528441302 429889542 /nfs/dbraw/zinc/88/95/42/429889542.db2.gz UXXRRYFULGCFSG-UHFFFAOYSA-N 1 2 309.387 2.507 20 30 DFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447821 429890151 /nfs/dbraw/zinc/89/01/51/429890151.db2.gz CYNYSBKDFMOSCJ-HOTGVXAUSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447821 429890153 /nfs/dbraw/zinc/89/01/53/429890153.db2.gz CYNYSBKDFMOSCJ-HOTGVXAUSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@H](O)C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498831 429893845 /nfs/dbraw/zinc/89/38/45/429893845.db2.gz ZOTSUNCRPZBKCW-DOTOQJQBSA-N 1 2 324.346 2.890 20 30 DFEDLO N#CC1(C[C@H](O)C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498831 429893846 /nfs/dbraw/zinc/89/38/46/429893846.db2.gz ZOTSUNCRPZBKCW-DOTOQJQBSA-N 1 2 324.346 2.890 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncccc3Cl)C2)nc1 ZINC000528507839 429894291 /nfs/dbraw/zinc/89/42/91/429894291.db2.gz QKFKTZYOPKYYRF-CYBMUJFWSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncccc3Cl)C2)nc1 ZINC000528507839 429894293 /nfs/dbraw/zinc/89/42/93/429894293.db2.gz QKFKTZYOPKYYRF-CYBMUJFWSA-N 1 2 314.776 2.655 20 30 DFEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC3 ZINC000369029899 429907784 /nfs/dbraw/zinc/90/77/84/429907784.db2.gz ZRXHZIUKESRCBW-CQSZACIVSA-N 1 2 324.428 2.595 20 30 DFEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC3 ZINC000369029899 429907787 /nfs/dbraw/zinc/90/77/87/429907787.db2.gz ZRXHZIUKESRCBW-CQSZACIVSA-N 1 2 324.428 2.595 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000369047312 429908816 /nfs/dbraw/zinc/90/88/16/429908816.db2.gz JXEZXVBSYLMPFL-QGZVFWFLSA-N 1 2 320.396 2.901 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000369047312 429908817 /nfs/dbraw/zinc/90/88/17/429908817.db2.gz JXEZXVBSYLMPFL-QGZVFWFLSA-N 1 2 320.396 2.901 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000574354025 430033402 /nfs/dbraw/zinc/03/34/02/430033402.db2.gz LIUCCKCFIUIVLN-INIZCTEOSA-N 1 2 323.400 2.584 20 30 DFEDLO N#CC1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000574437395 430042117 /nfs/dbraw/zinc/04/21/17/430042117.db2.gz RQLFCSVSVRFHLM-UHFFFAOYSA-N 1 2 313.382 2.932 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000637324317 430025303 /nfs/dbraw/zinc/02/53/03/430025303.db2.gz UZFXOJJJNXOWGK-HIFRSBDPSA-N 1 2 320.437 2.542 20 30 DFEDLO COc1cccc2c1CN(C[N@H+](C)Cc1ccc(C#N)cc1)C2=O ZINC000530094611 430096917 /nfs/dbraw/zinc/09/69/17/430096917.db2.gz GBKLQPYPCHRTGS-UHFFFAOYSA-N 1 2 321.380 2.612 20 30 DFEDLO COc1cccc2c1CN(C[N@@H+](C)Cc1ccc(C#N)cc1)C2=O ZINC000530094611 430096921 /nfs/dbraw/zinc/09/69/21/430096921.db2.gz GBKLQPYPCHRTGS-UHFFFAOYSA-N 1 2 321.380 2.612 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000575918085 430099522 /nfs/dbraw/zinc/09/95/22/430099522.db2.gz BIRFJDJHQAKZIR-KKUMJFAQSA-N 1 2 302.422 2.716 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000575918085 430099526 /nfs/dbraw/zinc/09/95/26/430099526.db2.gz BIRFJDJHQAKZIR-KKUMJFAQSA-N 1 2 302.422 2.716 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000365452234 276866538 /nfs/dbraw/zinc/86/65/38/276866538.db2.gz GSGXQAPMCVATMI-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(C#N)c1C ZINC000576939578 430109649 /nfs/dbraw/zinc/10/96/49/430109649.db2.gz BTZYOVVAWGIZGJ-UHFFFAOYSA-N 1 2 314.389 2.722 20 30 DFEDLO CC(C)Cc1cccc([C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000575049567 430054860 /nfs/dbraw/zinc/05/48/60/430054860.db2.gz GTMBEWYKSBWCBE-DNVCBOLYSA-N 1 2 315.461 2.949 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(C#N)CC(C)C1 ZINC000532064670 430150416 /nfs/dbraw/zinc/15/04/16/430150416.db2.gz WPDQPVSZNNPTAI-UHFFFAOYSA-N 1 2 310.401 2.791 20 30 DFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1C ZINC000532262792 430151812 /nfs/dbraw/zinc/15/18/12/430151812.db2.gz SCXFWUMEHVRATB-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO Cc1csc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000581019626 430171195 /nfs/dbraw/zinc/17/11/95/430171195.db2.gz LKYCOVBHETWATO-GXSJLCMTSA-N 1 2 301.375 2.952 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000562512767 430140525 /nfs/dbraw/zinc/14/05/25/430140525.db2.gz XZQREJPMXOAWIC-KGLIPLIRSA-N 1 2 321.446 2.659 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000292155815 335088214 /nfs/dbraw/zinc/08/82/14/335088214.db2.gz FCFADJCXSRPOFI-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000565179452 430203946 /nfs/dbraw/zinc/20/39/46/430203946.db2.gz ICGWXRTXKGSIQG-HZMBPMFUSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000565179452 430203950 /nfs/dbraw/zinc/20/39/50/430203950.db2.gz ICGWXRTXKGSIQG-HZMBPMFUSA-N 1 2 302.765 2.623 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000542203771 430204789 /nfs/dbraw/zinc/20/47/89/430204789.db2.gz TZJRZDMGZIQEOT-UHFFFAOYSA-N 1 2 308.381 2.928 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000542203771 430204795 /nfs/dbraw/zinc/20/47/95/430204795.db2.gz TZJRZDMGZIQEOT-UHFFFAOYSA-N 1 2 308.381 2.928 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000566429608 430259841 /nfs/dbraw/zinc/25/98/41/430259841.db2.gz XJTWHDRBJLEYHQ-QMTHXVAHSA-N 1 2 309.772 2.866 20 30 DFEDLO N#CC1(CC[N@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)CCCCC1 ZINC000566724636 430271807 /nfs/dbraw/zinc/27/18/07/430271807.db2.gz JDSMSQDIWNXAPA-CYBMUJFWSA-N 1 2 303.410 2.901 20 30 DFEDLO N#CC1(CC[N@@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)CCCCC1 ZINC000566724636 430271811 /nfs/dbraw/zinc/27/18/11/430271811.db2.gz JDSMSQDIWNXAPA-CYBMUJFWSA-N 1 2 303.410 2.901 20 30 DFEDLO CCc1ccc([C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566740056 430273250 /nfs/dbraw/zinc/27/32/50/430273250.db2.gz FMSQPPVDGZLHCY-KBXCAEBGSA-N 1 2 301.434 2.703 20 30 DFEDLO CCC[N@H+](CCOc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000544546328 430287020 /nfs/dbraw/zinc/28/70/20/430287020.db2.gz CXSFPXQBEURBPE-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO CCC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000544546328 430287024 /nfs/dbraw/zinc/28/70/24/430287024.db2.gz CXSFPXQBEURBPE-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO Cc1cc(N2CCN(c3ccncc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000545240309 430309935 /nfs/dbraw/zinc/30/99/35/430309935.db2.gz SXTHMEQBWZEVJB-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000568994131 430412026 /nfs/dbraw/zinc/41/20/26/430412026.db2.gz YQSHLLGGWJHPEW-ABAIWWIYSA-N 1 2 324.359 2.748 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 ZINC000568638402 430378497 /nfs/dbraw/zinc/37/84/97/430378497.db2.gz XJVZYJCQENDZQF-SFHVURJKSA-N 1 2 301.434 2.704 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568985206 430410995 /nfs/dbraw/zinc/41/09/95/430410995.db2.gz OBNHBMGSLXHDNF-LBPRGKRZSA-N 1 2 321.359 2.859 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568985206 430410998 /nfs/dbraw/zinc/41/09/98/430410998.db2.gz OBNHBMGSLXHDNF-LBPRGKRZSA-N 1 2 321.359 2.859 20 30 DFEDLO CCC(CC)c1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)on1 ZINC000569694059 430478184 /nfs/dbraw/zinc/47/81/84/430478184.db2.gz IIWUTHBXZIQOKS-UHFFFAOYSA-N 1 2 324.388 2.782 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252045 430496969 /nfs/dbraw/zinc/49/69/69/430496969.db2.gz QMSHXZDAGYIQEE-CRAIPNDOSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252045 430496971 /nfs/dbraw/zinc/49/69/71/430496971.db2.gz QMSHXZDAGYIQEE-CRAIPNDOSA-N 1 2 314.429 2.694 20 30 DFEDLO CC[C@@H](C)c1ccccc1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570141917 430516669 /nfs/dbraw/zinc/51/66/69/430516669.db2.gz ONYMAWXBRXTJEO-KDOFPFPSSA-N 1 2 317.433 2.539 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)n1 ZINC000570370737 430535925 /nfs/dbraw/zinc/53/59/25/430535925.db2.gz CBTINFHJVPKMQU-AWEZNQCLSA-N 1 2 309.398 2.811 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)n1 ZINC000570370737 430535930 /nfs/dbraw/zinc/53/59/30/430535930.db2.gz CBTINFHJVPKMQU-AWEZNQCLSA-N 1 2 309.398 2.811 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nccs3)CC2)nn1 ZINC000639374126 430624636 /nfs/dbraw/zinc/62/46/36/430624636.db2.gz AZEQBLYEIJLIPG-UHFFFAOYSA-N 1 2 317.462 2.765 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000555650496 430672218 /nfs/dbraw/zinc/67/22/18/430672218.db2.gz JIODIDLCPDARON-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3c(cc1C#N)CCC3)C2 ZINC000264390607 278076163 /nfs/dbraw/zinc/07/61/63/278076163.db2.gz CCUVWMNNOBDDSM-UHFFFAOYSA-N 1 2 321.428 2.862 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000644454283 430733553 /nfs/dbraw/zinc/73/35/53/430733553.db2.gz WDFGZLXOOQHCHO-MCIONIFRSA-N 1 2 306.410 2.626 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C ZINC000661856272 430866584 /nfs/dbraw/zinc/86/65/84/430866584.db2.gz LDOYXVOSWAUOMP-CABCVRRESA-N 1 2 304.434 2.973 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C ZINC000661856272 430866592 /nfs/dbraw/zinc/86/65/92/430866592.db2.gz LDOYXVOSWAUOMP-CABCVRRESA-N 1 2 304.434 2.973 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000665388468 430919220 /nfs/dbraw/zinc/91/92/20/430919220.db2.gz OTBQILOEWKKWCC-BZUAXINKSA-N 1 2 316.449 2.880 20 30 DFEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000662165711 430986086 /nfs/dbraw/zinc/98/60/86/430986086.db2.gz NLOTZWDLBNXBOS-ZWNOBZJWSA-N 1 2 307.781 2.511 20 30 DFEDLO C=CCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625704 430986122 /nfs/dbraw/zinc/98/61/22/430986122.db2.gz KCBDUYDJFDXIDE-GASCZTMLSA-N 1 2 317.433 2.993 20 30 DFEDLO C=CCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625704 430986128 /nfs/dbraw/zinc/98/61/28/430986128.db2.gz KCBDUYDJFDXIDE-GASCZTMLSA-N 1 2 317.433 2.993 20 30 DFEDLO C=CCCn1cc(CN2CCCC[C@H]2c2c[nH+]cn2CC)nn1 ZINC000653531043 431421358 /nfs/dbraw/zinc/42/13/58/431421358.db2.gz WMQIGYWNMSCACY-INIZCTEOSA-N 1 2 314.437 2.798 20 30 DFEDLO C=CCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000660389374 431406766 /nfs/dbraw/zinc/40/67/66/431406766.db2.gz SDSQRKSBRYWIFS-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO C=CCCn1cc(C[NH2+]C2(c3nccs3)CCCC2)nn1 ZINC000653583285 431447546 /nfs/dbraw/zinc/44/75/46/431447546.db2.gz XWSWLRNRKNYLGZ-UHFFFAOYSA-N 1 2 303.435 2.870 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000650170658 431472838 /nfs/dbraw/zinc/47/28/38/431472838.db2.gz SZQGCWSAXJKYTP-YCPHGPKFSA-N 1 2 303.406 2.548 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(F)(c3ccccn3)CC2)nn1 ZINC000653665006 431479761 /nfs/dbraw/zinc/47/97/61/431479761.db2.gz JCUCWYYABXOXPO-UHFFFAOYSA-N 1 2 315.396 2.710 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)nn1 ZINC000653556078 431434848 /nfs/dbraw/zinc/43/48/48/431434848.db2.gz MYNUKHVXTBEECS-GOSISDBHSA-N 1 2 312.417 2.898 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)nn1 ZINC000653556078 431434855 /nfs/dbraw/zinc/43/48/55/431434855.db2.gz MYNUKHVXTBEECS-GOSISDBHSA-N 1 2 312.417 2.898 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)nn1 ZINC000653675765 431485633 /nfs/dbraw/zinc/48/56/33/431485633.db2.gz PQXVBGZDJDXFRD-MRXNPFEDSA-N 1 2 320.824 2.721 20 30 DFEDLO C=CCCn1cc(CNc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000656769270 431512790 /nfs/dbraw/zinc/51/27/90/431512790.db2.gz SXLSCOTZMMRLMP-UHFFFAOYSA-N 1 2 312.421 2.852 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000664144865 431671137 /nfs/dbraw/zinc/67/11/37/431671137.db2.gz PNSQMQTXCDGKHB-GJZGRUSLSA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000664144865 431671145 /nfs/dbraw/zinc/67/11/45/431671145.db2.gz PNSQMQTXCDGKHB-GJZGRUSLSA-N 1 2 302.422 2.860 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000660950605 431675239 /nfs/dbraw/zinc/67/52/39/431675239.db2.gz JUNDWZPXOAKONO-OAGGEKHMSA-N 1 2 312.417 2.553 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)nn1 ZINC000657335813 431682965 /nfs/dbraw/zinc/68/29/65/431682965.db2.gz NAUOSILVRJCMIO-ROUUACIJSA-N 1 2 312.417 2.864 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)nn1 ZINC000657335812 431683182 /nfs/dbraw/zinc/68/31/82/431683182.db2.gz NAUOSILVRJCMIO-QZTJIDSGSA-N 1 2 312.417 2.864 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661156129 431755339 /nfs/dbraw/zinc/75/53/39/431755339.db2.gz VQVPCCCLSHZNAH-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000661156129 431755343 /nfs/dbraw/zinc/75/53/43/431755343.db2.gz VQVPCCCLSHZNAH-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@H](C)COC ZINC000661245737 431794946 /nfs/dbraw/zinc/79/49/46/431794946.db2.gz FGSSNLKOVVCFTQ-GFCCVEGCSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@H](C)COC ZINC000661245737 431794951 /nfs/dbraw/zinc/79/49/51/431794951.db2.gz FGSSNLKOVVCFTQ-GFCCVEGCSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)[C@H](C)COC ZINC000661248812 431796069 /nfs/dbraw/zinc/79/60/69/431796069.db2.gz XRVGEJSBBVWDDF-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)[C@H](C)COC ZINC000661248812 431796073 /nfs/dbraw/zinc/79/60/73/431796073.db2.gz XRVGEJSBBVWDDF-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651068536 431799380 /nfs/dbraw/zinc/79/93/80/431799380.db2.gz ZKJWESKUCINVSS-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCN1CC(F)F ZINC000153558464 289051435 /nfs/dbraw/zinc/05/14/35/289051435.db2.gz URLVFPVVCCXDKW-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCN1CC(F)F ZINC000153558464 289051440 /nfs/dbraw/zinc/05/14/40/289051440.db2.gz URLVFPVVCCXDKW-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(F)cc1C#N)C(=O)NCC1CCCC1 ZINC000155180609 295314271 /nfs/dbraw/zinc/31/42/71/295314271.db2.gz SAXSODCGCKCZHB-UHFFFAOYSA-N 1 2 317.408 2.872 20 30 DFEDLO CCc1nc(C(C)(C)[NH2+]CCCOc2cccc(C#N)c2)no1 ZINC000441259767 297177234 /nfs/dbraw/zinc/17/72/34/297177234.db2.gz FYWYNMFKRCIBJZ-UHFFFAOYSA-N 1 2 314.389 2.797 20 30 DFEDLO C#CCOCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000292577093 335091584 /nfs/dbraw/zinc/09/15/84/335091584.db2.gz DCULLMZRGSYAMZ-CYBMUJFWSA-N 1 2 310.467 2.790 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(F)(c3ccccn3)CC2)n1 ZINC000519592360 300461083 /nfs/dbraw/zinc/46/10/83/300461083.db2.gz KAMNAEQTWNOPRF-UHFFFAOYSA-N 1 2 302.378 2.871 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548320267 301579226 /nfs/dbraw/zinc/57/92/26/301579226.db2.gz YABOUCIVIDVSPJ-NSHDSACASA-N 1 2 315.764 2.545 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000548632889 301601964 /nfs/dbraw/zinc/60/19/64/301601964.db2.gz GWVLZGQWISUDEF-CYBMUJFWSA-N 1 2 314.776 2.955 20 30 DFEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1[nH]cc[nH+]1 ZINC000564353051 302131174 /nfs/dbraw/zinc/13/11/74/302131174.db2.gz XWXPTGSORUUHJV-SNVBAGLBSA-N 1 2 300.337 2.575 20 30 DFEDLO Cn1c2ccc(CNc3cncc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000566807499 302313610 /nfs/dbraw/zinc/31/36/10/302313610.db2.gz PSKICBFGIRRMSH-UHFFFAOYSA-N 1 2 304.357 2.724 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)s1)c1nnc2n1CCCC2 ZINC000573980112 302734127 /nfs/dbraw/zinc/73/41/27/302734127.db2.gz YSGIMLJPKQTKMF-UHFFFAOYSA-N 1 2 301.419 2.572 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1cccc(C#N)n1)CCCC2 ZINC000408030066 302900450 /nfs/dbraw/zinc/90/04/50/302900450.db2.gz FHOWZDWMENTAPT-MRXNPFEDSA-N 1 2 307.401 2.907 20 30 DFEDLO N#Cc1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370566469 303213175 /nfs/dbraw/zinc/21/31/75/303213175.db2.gz WNSPXNQXLHIVPR-GJZGRUSLSA-N 1 2 320.824 2.662 20 30 DFEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnnn1-c1ccccc1 ZINC000174265520 315962874 /nfs/dbraw/zinc/96/28/74/315962874.db2.gz FHGCLOMRFHHWOX-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(C#N)cc1 ZINC000182872322 316121530 /nfs/dbraw/zinc/12/15/30/316121530.db2.gz UARSQSXLLROEQP-AWEZNQCLSA-N 1 2 308.385 2.963 20 30 DFEDLO COC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(C)o1 ZINC000184742504 316173550 /nfs/dbraw/zinc/17/35/50/316173550.db2.gz PQQWXCKENUROGJ-HNNXBMFYSA-N 1 2 300.358 2.946 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000491382951 317569677 /nfs/dbraw/zinc/56/96/77/317569677.db2.gz KAVBHGZTLTZBLC-WAYWQWQTSA-N 1 2 306.369 2.701 20 30 DFEDLO C[C@H](c1ccccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565752138 317928896 /nfs/dbraw/zinc/92/88/96/317928896.db2.gz PTNIYXXXWHNGCN-CQSZACIVSA-N 1 2 310.376 2.976 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000578294445 318250528 /nfs/dbraw/zinc/25/05/28/318250528.db2.gz AFBUEXNTYHXFRZ-UHFFFAOYSA-N 1 2 312.373 2.650 20 30 DFEDLO COCCN(Cc1[nH+]ccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000195515395 323283650 /nfs/dbraw/zinc/28/36/50/323283650.db2.gz ZNSJXONOIQJBSL-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO COCC[N@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000195515395 323283654 /nfs/dbraw/zinc/28/36/54/323283654.db2.gz ZNSJXONOIQJBSL-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO COCC[N@@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000195515395 323283656 /nfs/dbraw/zinc/28/36/56/323283656.db2.gz ZNSJXONOIQJBSL-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000297937361 331613805 /nfs/dbraw/zinc/61/38/05/331613805.db2.gz RPRXIQRIUDVDQE-ZDUSSCGKSA-N 1 2 301.390 2.646 20 30 DFEDLO C=CCSCCNc1nc(NC)c(Br)c[nH+]1 ZINC000131992708 332062800 /nfs/dbraw/zinc/06/28/00/332062800.db2.gz DRSPUPGCKFINHZ-UHFFFAOYSA-N 1 2 303.229 2.612 20 30 DFEDLO CSc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000518520359 332072401 /nfs/dbraw/zinc/07/24/01/332072401.db2.gz JETBRZZICCAQKR-GFCCVEGCSA-N 1 2 313.854 2.680 20 30 DFEDLO CSc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000518520359 332072402 /nfs/dbraw/zinc/07/24/02/332072402.db2.gz JETBRZZICCAQKR-GFCCVEGCSA-N 1 2 313.854 2.680 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nncn2C(C)C)cc1 ZINC000292838942 335095665 /nfs/dbraw/zinc/09/56/65/335095665.db2.gz RXFKIBXVHCLOBN-UHFFFAOYSA-N 1 2 312.417 2.893 20 30 DFEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nncn2C(C)C)cc1 ZINC000292838942 335095666 /nfs/dbraw/zinc/09/56/66/335095666.db2.gz RXFKIBXVHCLOBN-UHFFFAOYSA-N 1 2 312.417 2.893 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000559915259 332292431 /nfs/dbraw/zinc/29/24/31/332292431.db2.gz KZFGEPOFNSAWFW-JQFCIGGWSA-N 1 2 316.380 2.604 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000559915259 332292432 /nfs/dbraw/zinc/29/24/32/332292432.db2.gz KZFGEPOFNSAWFW-JQFCIGGWSA-N 1 2 316.380 2.604 20 30 DFEDLO N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000583390521 332381509 /nfs/dbraw/zinc/38/15/09/332381509.db2.gz SVVPVDUJKATRJJ-LBPRGKRZSA-N 1 2 314.776 2.804 20 30 DFEDLO CC#CC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293325201 335104380 /nfs/dbraw/zinc/10/43/80/335104380.db2.gz XRMVCTVPSLLGKE-UHFFFAOYSA-N 1 2 314.288 2.660 20 30 DFEDLO CC#CC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293325201 335104381 /nfs/dbraw/zinc/10/43/81/335104381.db2.gz XRMVCTVPSLLGKE-UHFFFAOYSA-N 1 2 314.288 2.660 20 30 DFEDLO C#CC[C@@H](Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000293201132 335105092 /nfs/dbraw/zinc/10/50/92/335105092.db2.gz URCWIZDOQNSUCG-IAGOWNOFSA-N 1 2 322.412 2.614 20 30 DFEDLO C#CC[C@@H](Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000293201132 335105093 /nfs/dbraw/zinc/10/50/93/335105093.db2.gz URCWIZDOQNSUCG-IAGOWNOFSA-N 1 2 322.412 2.614 20 30 DFEDLO C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000123460814 332424138 /nfs/dbraw/zinc/42/41/38/332424138.db2.gz BCDCHBBCOTYOEN-LSDHHAIUSA-N 1 2 300.406 2.767 20 30 DFEDLO CCc1noc([C@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000123508553 332424626 /nfs/dbraw/zinc/42/46/26/332424626.db2.gz STAHGOVKQXJZCB-VIFPVBQESA-N 1 2 308.769 2.878 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000293450237 335106183 /nfs/dbraw/zinc/10/61/83/335106183.db2.gz RWKLYBKQHGLWQL-QFBILLFUSA-N 1 2 321.424 2.907 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000293452697 335106348 /nfs/dbraw/zinc/10/63/48/335106348.db2.gz SBDYQQYZSVFJAS-UHFFFAOYSA-N 1 2 302.418 2.639 20 30 DFEDLO CC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nccs1 ZINC000185061735 335109825 /nfs/dbraw/zinc/10/98/25/335109825.db2.gz PKJWTFYLMOVMCP-GFCCVEGCSA-N 1 2 306.435 2.526 20 30 DFEDLO C=CCC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000448983803 332664214 /nfs/dbraw/zinc/66/42/14/332664214.db2.gz PEPZJPCPTSGHCC-UHFFFAOYSA-N 1 2 316.449 2.581 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCCc1ccc(F)cc1 ZINC000570336485 332742240 /nfs/dbraw/zinc/74/22/40/332742240.db2.gz RHARIWAUTOGPHT-GOSISDBHSA-N 1 2 319.424 2.889 20 30 DFEDLO C=CC1CC[NH+](CC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000137330505 335114562 /nfs/dbraw/zinc/11/45/62/335114562.db2.gz XHUUOWAPLBSNGF-UHFFFAOYSA-N 1 2 308.451 2.672 20 30 DFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC=CCC2)CC1=O ZINC000172378751 333062505 /nfs/dbraw/zinc/06/25/05/333062505.db2.gz YIYUMIWRMKZMDI-ZDUSSCGKSA-N 1 2 322.412 2.755 20 30 DFEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000294407492 335122333 /nfs/dbraw/zinc/12/23/33/335122333.db2.gz PXYPNAWUQMQSCH-UHFFFAOYSA-N 1 2 320.408 2.691 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000294745661 335127110 /nfs/dbraw/zinc/12/71/10/335127110.db2.gz XFDJAHHBMURHDV-UHFFFAOYSA-N 1 2 314.401 2.646 20 30 DFEDLO N#C[C@H]1N(Cc2cn3ccccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000363919698 333202213 /nfs/dbraw/zinc/20/22/13/333202213.db2.gz AHRQFBJRAAYZFY-SJLPKXTDSA-N 1 2 310.401 2.762 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000184983255 333203190 /nfs/dbraw/zinc/20/31/90/333203190.db2.gz BYVPEAORGWYTSZ-ZDUSSCGKSA-N 1 2 320.462 2.787 20 30 DFEDLO COCCN(C)c1ccc(/C=C2\Cc3c(cccc3O)C2=O)c[nH+]1 ZINC000191261686 333278855 /nfs/dbraw/zinc/27/88/55/333278855.db2.gz VJVOEODZTFLIFU-GXDHUFHOSA-N 1 2 324.380 2.692 20 30 DFEDLO C=CCOc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000111374774 333328988 /nfs/dbraw/zinc/32/89/88/333328988.db2.gz WKAUKZLTZWCHBL-KRWDZBQOSA-N 1 2 314.360 2.707 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068323 335140963 /nfs/dbraw/zinc/14/09/63/335140963.db2.gz VCVMSBWZZUHQET-IAGOWNOFSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068323 335140964 /nfs/dbraw/zinc/14/09/64/335140964.db2.gz VCVMSBWZZUHQET-IAGOWNOFSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068323 335140965 /nfs/dbraw/zinc/14/09/65/335140965.db2.gz VCVMSBWZZUHQET-IAGOWNOFSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068323 335140966 /nfs/dbraw/zinc/14/09/66/335140966.db2.gz VCVMSBWZZUHQET-IAGOWNOFSA-N 1 2 324.428 2.795 20 30 DFEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000570981660 333474096 /nfs/dbraw/zinc/47/40/96/333474096.db2.gz SZOJGDVRXPBHKL-UHFFFAOYSA-N 1 2 311.429 2.902 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cn2cccc(C)c2[nH+]1)OCC ZINC000339363873 333520635 /nfs/dbraw/zinc/52/06/35/333520635.db2.gz QWHGJAQNFPIVLW-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000366403724 333527606 /nfs/dbraw/zinc/52/76/06/333527606.db2.gz KYKVAKNUDFTSEO-ROUUACIJSA-N 1 2 322.412 2.651 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000411125873 333635962 /nfs/dbraw/zinc/63/59/62/333635962.db2.gz LEIUWQHRTRQRKN-MRXNPFEDSA-N 1 2 313.445 2.801 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185929406 335155317 /nfs/dbraw/zinc/15/53/17/335155317.db2.gz ZJQLQPQQBFQQTP-QMMMGPOBSA-N 1 2 307.341 2.505 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000186072566 335158763 /nfs/dbraw/zinc/15/87/63/335158763.db2.gz CUZCTRHFEGFALB-CYBMUJFWSA-N 1 2 303.406 2.767 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000412848150 333807342 /nfs/dbraw/zinc/80/73/42/333807342.db2.gz YQDBWWYQNJWDAI-SJORKVTESA-N 1 2 309.413 2.749 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264077052 333951162 /nfs/dbraw/zinc/95/11/62/333951162.db2.gz PJKZVQVUIQDJFA-UHFFFAOYSA-N 1 2 308.385 2.697 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000269652315 334002865 /nfs/dbraw/zinc/00/28/65/334002865.db2.gz UKRWDZYIAGWLDI-HOCLYGCPSA-N 1 2 311.389 2.616 20 30 DFEDLO O=C1C[C@@H](C/[NH+]=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000270404371 334012970 /nfs/dbraw/zinc/01/29/70/334012970.db2.gz GFHLIZAENCAWFE-BBJIBYMTSA-N 1 2 324.380 2.565 20 30 DFEDLO CN(C)c1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c[nH+]1 ZINC000271984546 334029299 /nfs/dbraw/zinc/02/92/99/334029299.db2.gz KJODDCIBJSFMKG-UHFFFAOYSA-N 1 2 320.396 2.633 20 30 DFEDLO CC(C)(C#N)CCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000272048754 334030142 /nfs/dbraw/zinc/03/01/42/334030142.db2.gz DMYRCNZSJMESNW-UHFFFAOYSA-N 1 2 315.421 2.649 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000273484176 334047934 /nfs/dbraw/zinc/04/79/34/334047934.db2.gz RBWIGYSJYVFVSU-HNNXBMFYSA-N 1 2 316.405 2.922 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C#N)CCCC1 ZINC000277543597 334088872 /nfs/dbraw/zinc/08/88/72/334088872.db2.gz LWZWVWKCOFARBU-UHFFFAOYSA-N 1 2 302.422 2.768 20 30 DFEDLO CC1(C)CCCN(Cc2[nH+]ccn2CC(F)(F)F)[C@@H]1C#N ZINC000277759797 334090738 /nfs/dbraw/zinc/09/07/38/334090738.db2.gz MDWJEOKYUSNSPI-LLVKDONJSA-N 1 2 300.328 2.960 20 30 DFEDLO CC1(C)CCCN(Cc2[nH+]ccn2CC(F)(F)F)[C@H]1C#N ZINC000277759802 334090761 /nfs/dbraw/zinc/09/07/61/334090761.db2.gz MDWJEOKYUSNSPI-NSHDSACASA-N 1 2 300.328 2.960 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)C(C)(C)C ZINC000279982891 334113415 /nfs/dbraw/zinc/11/34/15/334113415.db2.gz QWOBGGKMVOFGNI-CQSZACIVSA-N 1 2 320.343 2.677 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/Cc2cnn(CCOC)c2)c(O)c1 ZINC000283736205 334141197 /nfs/dbraw/zinc/14/11/97/334141197.db2.gz CVHXSEXDORXWGP-LDADJPATSA-N 1 2 317.389 2.643 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2c(F)cccc2F)n1)[C@H]1CCCO1 ZINC000283764174 334141324 /nfs/dbraw/zinc/14/13/24/334141324.db2.gz BGSCOFHUHYTGBG-GFCCVEGCSA-N 1 2 323.299 2.588 20 30 DFEDLO NC(=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000283992826 334142068 /nfs/dbraw/zinc/14/20/68/334142068.db2.gz GZRVVFYRDDUXOA-LBPRGKRZSA-N 1 2 321.764 2.963 20 30 DFEDLO NC(=[NH+]OCc1ccc(F)cc1Br)[C@@H]1CCCO1 ZINC000284443918 334143549 /nfs/dbraw/zinc/14/35/49/334143549.db2.gz PMESPJDDTKJYSQ-NSHDSACASA-N 1 2 317.158 2.556 20 30 DFEDLO N#CCCN(C(=O)C[N@@H+]1CCCc2occc2C1)c1ccccc1 ZINC000288970109 334162802 /nfs/dbraw/zinc/16/28/02/334162802.db2.gz YQEVRQVYSIUEFS-UHFFFAOYSA-N 1 2 323.396 2.975 20 30 DFEDLO N#CCCN(C(=O)C[N@H+]1CCCc2occc2C1)c1ccccc1 ZINC000288970109 334162804 /nfs/dbraw/zinc/16/28/04/334162804.db2.gz YQEVRQVYSIUEFS-UHFFFAOYSA-N 1 2 323.396 2.975 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)CCCCC1 ZINC000289461228 334165450 /nfs/dbraw/zinc/16/54/50/334165450.db2.gz YGHGUXMFYUVLHW-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)CCCCC1 ZINC000289461228 334165452 /nfs/dbraw/zinc/16/54/52/334165452.db2.gz YGHGUXMFYUVLHW-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280662 334186366 /nfs/dbraw/zinc/18/63/66/334186366.db2.gz BQSQOPUUASJGEZ-CVEARBPZSA-N 1 2 300.402 2.957 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280662 334186367 /nfs/dbraw/zinc/18/63/67/334186367.db2.gz BQSQOPUUASJGEZ-CVEARBPZSA-N 1 2 300.402 2.957 20 30 DFEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292453346 334188311 /nfs/dbraw/zinc/18/83/11/334188311.db2.gz PORGCEXKODHSKC-NXHRZFHOSA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292453346 334188313 /nfs/dbraw/zinc/18/83/13/334188313.db2.gz PORGCEXKODHSKC-NXHRZFHOSA-N 1 2 311.429 2.627 20 30 DFEDLO Cc1ccoc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000292467622 334188454 /nfs/dbraw/zinc/18/84/54/334188454.db2.gz ZLBFCNPWPWEPJB-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000292467622 334188455 /nfs/dbraw/zinc/18/84/55/334188455.db2.gz ZLBFCNPWPWEPJB-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO CC1(C)C[C@]1(C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000292478974 334188567 /nfs/dbraw/zinc/18/85/67/334188567.db2.gz NHYUBFVPLKEOLT-KRZKXXONSA-N 1 2 306.369 2.694 20 30 DFEDLO CC[N@H+](CCC#N)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000292893871 334193902 /nfs/dbraw/zinc/19/39/02/334193902.db2.gz VJVRTLBSEYNQQT-BBRMVZONSA-N 1 2 303.381 2.723 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000292893871 334193903 /nfs/dbraw/zinc/19/39/03/334193903.db2.gz VJVRTLBSEYNQQT-BBRMVZONSA-N 1 2 303.381 2.723 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000292896107 334193905 /nfs/dbraw/zinc/19/39/05/334193905.db2.gz AAOOJCVCSSYMGK-NSHDSACASA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000292896107 334193906 /nfs/dbraw/zinc/19/39/06/334193906.db2.gz AAOOJCVCSSYMGK-NSHDSACASA-N 1 2 309.207 2.731 20 30 DFEDLO CC(C)(C)c1csc([C@@H]2C[N@H+](CCOCCC#N)CCO2)n1 ZINC000292964318 334194681 /nfs/dbraw/zinc/19/46/81/334194681.db2.gz CXDQNKIPGMYRDR-ZDUSSCGKSA-N 1 2 323.462 2.744 20 30 DFEDLO CC(C)(C)c1csc([C@@H]2C[N@@H+](CCOCCC#N)CCO2)n1 ZINC000292964318 334194683 /nfs/dbraw/zinc/19/46/83/334194683.db2.gz CXDQNKIPGMYRDR-ZDUSSCGKSA-N 1 2 323.462 2.744 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005531 334195156 /nfs/dbraw/zinc/19/51/56/334195156.db2.gz HBRPEQLKHOUXHX-GDBMZVCRSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005531 334195158 /nfs/dbraw/zinc/19/51/58/334195158.db2.gz HBRPEQLKHOUXHX-GDBMZVCRSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC12CCCC2 ZINC000294256865 334207475 /nfs/dbraw/zinc/20/74/75/334207475.db2.gz GFVDOHLTUSLRPH-LJQANCHMSA-N 1 2 324.428 2.772 20 30 DFEDLO N#C[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC12CCCC2 ZINC000294438320 334209820 /nfs/dbraw/zinc/20/98/20/334209820.db2.gz MOGBAVKGGVJIAK-KRWDZBQOSA-N 1 2 307.357 2.680 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@]3(C#N)CC34CCCC4)cn21 ZINC000294595533 334211262 /nfs/dbraw/zinc/21/12/62/334211262.db2.gz LSEVZZQDLZDCCT-SFHVURJKSA-N 1 2 308.385 2.733 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cn21 ZINC000296298259 334231587 /nfs/dbraw/zinc/23/15/87/334231587.db2.gz FOEREASOIDDGCM-KBPBESRZSA-N 1 2 311.389 2.524 20 30 DFEDLO CSC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 ZINC000340560061 334239670 /nfs/dbraw/zinc/23/96/70/334239670.db2.gz JWYHBNCQKIDSJJ-KRWDZBQOSA-N 1 2 315.486 2.982 20 30 DFEDLO CSC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 ZINC000340560061 334239671 /nfs/dbraw/zinc/23/96/71/334239671.db2.gz JWYHBNCQKIDSJJ-KRWDZBQOSA-N 1 2 315.486 2.982 20 30 DFEDLO C=CC[N@@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000121145181 334341353 /nfs/dbraw/zinc/34/13/53/334341353.db2.gz IUCUZIYLLOSHAQ-UHFFFAOYSA-N 1 2 301.415 2.691 20 30 DFEDLO C=CC[N@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000121145181 334341354 /nfs/dbraw/zinc/34/13/54/334341354.db2.gz IUCUZIYLLOSHAQ-UHFFFAOYSA-N 1 2 301.415 2.691 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000121461879 334354226 /nfs/dbraw/zinc/35/42/26/334354226.db2.gz NOVYEMQUEJQKBN-UHFFFAOYSA-N 1 2 312.295 2.638 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000121461879 334354227 /nfs/dbraw/zinc/35/42/27/334354227.db2.gz NOVYEMQUEJQKBN-UHFFFAOYSA-N 1 2 312.295 2.638 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000121461879 334354228 /nfs/dbraw/zinc/35/42/28/334354228.db2.gz NOVYEMQUEJQKBN-UHFFFAOYSA-N 1 2 312.295 2.638 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000121461879 334354229 /nfs/dbraw/zinc/35/42/29/334354229.db2.gz NOVYEMQUEJQKBN-UHFFFAOYSA-N 1 2 312.295 2.638 20 30 DFEDLO COc1cc(/C=C/C(=O)Nc2cc[nH+]c(C)c2)ccc1OCC#N ZINC000112298384 334381426 /nfs/dbraw/zinc/38/14/26/334381426.db2.gz RDJUFAIXQVZLIG-GQCTYLIASA-N 1 2 323.352 2.953 20 30 DFEDLO COCCO[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000340783428 334385450 /nfs/dbraw/zinc/38/54/50/334385450.db2.gz WIYOXXNXWSIEQO-INIZCTEOSA-N 1 2 307.821 2.819 20 30 DFEDLO COCCO[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000340783428 334385451 /nfs/dbraw/zinc/38/54/51/334385451.db2.gz WIYOXXNXWSIEQO-INIZCTEOSA-N 1 2 307.821 2.819 20 30 DFEDLO C=CCOCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341234335 334420782 /nfs/dbraw/zinc/42/07/82/334420782.db2.gz DUIWLYXVEDYSFH-UHFFFAOYSA-N 1 2 319.449 2.885 20 30 DFEDLO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccc(CC#N)cc1 ZINC000342260593 334528374 /nfs/dbraw/zinc/52/83/74/334528374.db2.gz VIMHDLQQHNUBJN-OAQYLSRUSA-N 1 2 301.415 2.979 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342633231 334556464 /nfs/dbraw/zinc/55/64/64/334556464.db2.gz FXHMLDOGBNJZHO-STQMWFEESA-N 1 2 304.438 2.759 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000342678804 334559943 /nfs/dbraw/zinc/55/99/43/334559943.db2.gz MKYVSCGIHKCNQJ-XHDPSFHLSA-N 1 2 302.328 2.932 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cn3c(n1)CCCC3)CCC2 ZINC000328717866 334750674 /nfs/dbraw/zinc/75/06/74/334750674.db2.gz PNDOQQYFOUKJTB-ZDUSSCGKSA-N 1 2 313.405 2.607 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000328802241 334758031 /nfs/dbraw/zinc/75/80/31/334758031.db2.gz ZVIVNRJTHIESTB-SNVBAGLBSA-N 1 2 305.769 2.504 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343930748 335202679 /nfs/dbraw/zinc/20/26/79/335202679.db2.gz DMHFXCYDKGJQPL-UHFFFAOYSA-N 1 2 310.756 2.939 20 30 DFEDLO C=CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344507628 335257434 /nfs/dbraw/zinc/25/74/34/335257434.db2.gz ZGJQKWGSUAMNHF-INIZCTEOSA-N 1 2 304.459 2.859 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000344671770 335270716 /nfs/dbraw/zinc/27/07/16/335270716.db2.gz GBLVPXZVQZLAJJ-KGLIPLIRSA-N 1 2 305.426 2.595 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000344671770 335270718 /nfs/dbraw/zinc/27/07/18/335270718.db2.gz GBLVPXZVQZLAJJ-KGLIPLIRSA-N 1 2 305.426 2.595 20 30 DFEDLO Cc1ccc2nc(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)n2c1 ZINC000346272688 335391381 /nfs/dbraw/zinc/39/13/81/335391381.db2.gz POFMMBSBCGOISC-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1ccc2nc(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)n2c1 ZINC000346272688 335391382 /nfs/dbraw/zinc/39/13/82/335391382.db2.gz POFMMBSBCGOISC-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCC(F)(F)C1 ZINC000328612416 335394695 /nfs/dbraw/zinc/39/46/95/335394695.db2.gz PJTCPWPIAYSFGX-RYUDHWBXSA-N 1 2 312.364 2.842 20 30 DFEDLO CC(C)(C#N)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000348381653 335582164 /nfs/dbraw/zinc/58/21/64/335582164.db2.gz LUOFPOYTFMNTTM-UHFFFAOYSA-N 1 2 321.450 2.800 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000348499192 335592947 /nfs/dbraw/zinc/59/29/47/335592947.db2.gz ZBOZQHWYFZPERO-JNLAIUADSA-N 1 2 311.429 2.784 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349248010 335658622 /nfs/dbraw/zinc/65/86/22/335658622.db2.gz VFSMVPLBNDPAPC-STQMWFEESA-N 1 2 319.430 2.990 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000350461989 335755127 /nfs/dbraw/zinc/75/51/27/335755127.db2.gz PEYGWHAKZYJBSR-QMTHXVAHSA-N 1 2 319.771 2.842 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC000329109209 335941550 /nfs/dbraw/zinc/94/15/50/335941550.db2.gz IVMCYEVPJJTHLI-GHMZBOCLSA-N 1 2 304.394 2.571 20 30 DFEDLO Cc1cc(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)no1 ZINC000329477586 335981388 /nfs/dbraw/zinc/98/13/88/335981388.db2.gz BZMBJLKYEPPUOB-GFCCVEGCSA-N 1 2 316.405 2.991 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCc2c1cccc2F ZINC000329605065 336004126 /nfs/dbraw/zinc/00/41/26/336004126.db2.gz LYWYQDCDJPABHN-YGRLFVJLSA-N 1 2 314.364 2.597 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCc2c1cccc2F ZINC000329605065 336004128 /nfs/dbraw/zinc/00/41/28/336004128.db2.gz LYWYQDCDJPABHN-YGRLFVJLSA-N 1 2 314.364 2.597 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329639419 336021424 /nfs/dbraw/zinc/02/14/24/336021424.db2.gz WPFDPIZZYQPIIX-DVZHBHJUSA-N 1 2 302.422 2.834 20 30 DFEDLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000329672861 336037127 /nfs/dbraw/zinc/03/71/27/336037127.db2.gz SPWBIKFRTMPZFD-IAGOWNOFSA-N 1 2 310.401 2.949 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCC[C@@H]1c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000329672861 336037129 /nfs/dbraw/zinc/03/71/29/336037129.db2.gz SPWBIKFRTMPZFD-IAGOWNOFSA-N 1 2 310.401 2.949 20 30 DFEDLO COC(=O)C[C@@](C)([NH2+]CC#Cc1ccccc1)c1ccccn1 ZINC000351814200 336069943 /nfs/dbraw/zinc/06/99/43/336069943.db2.gz JICQDMQFYRFMNQ-LJQANCHMSA-N 1 2 308.381 2.501 20 30 DFEDLO CNC(=O)Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cs1 ZINC000329784804 336081347 /nfs/dbraw/zinc/08/13/47/336081347.db2.gz POIYCRVFWBSYFB-DOMZBBRYSA-N 1 2 323.462 2.661 20 30 DFEDLO CNC(=O)Cc1nc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cs1 ZINC000329784804 336081348 /nfs/dbraw/zinc/08/13/48/336081348.db2.gz POIYCRVFWBSYFB-DOMZBBRYSA-N 1 2 323.462 2.661 20 30 DFEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000329894451 336093060 /nfs/dbraw/zinc/09/30/60/336093060.db2.gz BIQUSIFTWJQBLE-VNQPRFMTSA-N 1 2 316.449 2.918 20 30 DFEDLO CC1(C)COc2c1cccc2C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329917355 336095168 /nfs/dbraw/zinc/09/51/68/336095168.db2.gz ZHVSQLWQUCHPTK-GFCCVEGCSA-N 1 2 311.385 2.873 20 30 DFEDLO O=C(NCC1CCSCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329939373 336097544 /nfs/dbraw/zinc/09/75/44/336097544.db2.gz FPLJVBCTURAMHO-OAHLLOKOSA-N 1 2 321.446 2.592 20 30 DFEDLO CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCC1 ZINC000329975504 336101945 /nfs/dbraw/zinc/10/19/45/336101945.db2.gz DSGHGLHURAMGHG-KBPBESRZSA-N 1 2 320.412 2.789 20 30 DFEDLO NC(=O)C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC000330041661 336108783 /nfs/dbraw/zinc/10/87/83/336108783.db2.gz BVCVVODJIOTCAZ-CQSZACIVSA-N 1 2 323.437 2.682 20 30 DFEDLO NC(=O)C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC000330041661 336108785 /nfs/dbraw/zinc/10/87/85/336108785.db2.gz BVCVVODJIOTCAZ-CQSZACIVSA-N 1 2 323.437 2.682 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330110312 336114299 /nfs/dbraw/zinc/11/42/99/336114299.db2.gz ABOSORPHLLPTRC-VHDGCEQUSA-N 1 2 323.437 2.546 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330110312 336114300 /nfs/dbraw/zinc/11/43/00/336114300.db2.gz ABOSORPHLLPTRC-VHDGCEQUSA-N 1 2 323.437 2.546 20 30 DFEDLO [O-]C(N[C@@H]1C[C@@H]1C1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177895 336121056 /nfs/dbraw/zinc/12/10/56/336121056.db2.gz DHPMFEMKDYTOCV-RBSFLKMASA-N 1 2 302.422 2.670 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000330177895 336121058 /nfs/dbraw/zinc/12/10/58/336121058.db2.gz DHPMFEMKDYTOCV-RBSFLKMASA-N 1 2 302.422 2.670 20 30 DFEDLO CC1(C)CCC(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330189558 336122322 /nfs/dbraw/zinc/12/23/22/336122322.db2.gz LWEVXEXGYJPWRD-AWEZNQCLSA-N 1 2 304.438 2.918 20 30 DFEDLO CC1(C)CCC(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330189558 336122324 /nfs/dbraw/zinc/12/23/24/336122324.db2.gz LWEVXEXGYJPWRD-AWEZNQCLSA-N 1 2 304.438 2.918 20 30 DFEDLO CC(C)(C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000330198812 336123548 /nfs/dbraw/zinc/12/35/48/336123548.db2.gz UQFCVYOWVMYKRK-CQSZACIVSA-N 1 2 304.438 2.918 20 30 DFEDLO C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202920 336123885 /nfs/dbraw/zinc/12/38/85/336123885.db2.gz ZYYUNOUIDPNWLD-HYVNUMGLSA-N 1 2 324.428 2.990 20 30 DFEDLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330202920 336123886 /nfs/dbraw/zinc/12/38/86/336123886.db2.gz ZYYUNOUIDPNWLD-HYVNUMGLSA-N 1 2 324.428 2.990 20 30 DFEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000330201567 336123931 /nfs/dbraw/zinc/12/39/31/336123931.db2.gz XZAMKUCWMREBCF-SRVKXCTJSA-N 1 2 316.409 2.795 20 30 DFEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000330201567 336123933 /nfs/dbraw/zinc/12/39/33/336123933.db2.gz XZAMKUCWMREBCF-SRVKXCTJSA-N 1 2 316.409 2.795 20 30 DFEDLO CC(C)(C)c1ncsc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330241914 336128713 /nfs/dbraw/zinc/12/87/13/336128713.db2.gz JEUUZXVIBRQHAY-JTQLQIEISA-N 1 2 304.419 2.957 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000330280648 336133319 /nfs/dbraw/zinc/13/33/19/336133319.db2.gz STAQCPPAOIMTRN-ZNMIVQPWSA-N 1 2 320.437 2.912 20 30 DFEDLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cncnc1 ZINC000330284792 336133551 /nfs/dbraw/zinc/13/35/51/336133551.db2.gz XZSOFQURWCDOTC-CYBMUJFWSA-N 1 2 311.389 2.601 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000330291006 336135806 /nfs/dbraw/zinc/13/58/06/336135806.db2.gz GGFKZFVOTBCJIO-ILXRZTDVSA-N 1 2 320.437 2.912 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000331466130 336136727 /nfs/dbraw/zinc/13/67/27/336136727.db2.gz LKHUTJWPCNUQGP-DZGCQCFKSA-N 1 2 309.373 2.901 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N1CCSc2ccccc21 ZINC000331823154 336149869 /nfs/dbraw/zinc/14/98/69/336149869.db2.gz YOKJIQPZGRYOHS-IHRRRGAJSA-N 1 2 315.442 2.796 20 30 DFEDLO C[NH+](C)C1(C#N)CCN(C(=O)NCC2CCCCCC2)CC1 ZINC000332284494 336166254 /nfs/dbraw/zinc/16/62/54/336166254.db2.gz DYNBPOWOUXASJC-UHFFFAOYSA-N 1 2 306.454 2.586 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1(C#N)CCC1 ZINC000333529661 336205212 /nfs/dbraw/zinc/20/52/12/336205212.db2.gz LZZMZZPPFSFPIP-AWEZNQCLSA-N 1 2 315.421 2.833 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352485517 336221426 /nfs/dbraw/zinc/22/14/26/336221426.db2.gz YYVNYQPBTYRWGM-ZIAGYGMSSA-N 1 2 303.381 2.580 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000352492497 336221790 /nfs/dbraw/zinc/22/17/90/336221790.db2.gz YTIKMNKMNMMUBE-KRWDZBQOSA-N 1 2 315.392 2.582 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc([C@H](C)OCC)no1 ZINC000352700583 336231251 /nfs/dbraw/zinc/23/12/51/336231251.db2.gz SKYJSKJALBBMDN-ZDUSSCGKSA-N 1 2 305.378 2.991 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc([C@H](C)OCC)no1 ZINC000352700583 336231252 /nfs/dbraw/zinc/23/12/52/336231252.db2.gz SKYJSKJALBBMDN-ZDUSSCGKSA-N 1 2 305.378 2.991 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352799216 336238304 /nfs/dbraw/zinc/23/83/04/336238304.db2.gz LQWRJYKDBTXUFI-UHFFFAOYSA-N 1 2 320.433 2.575 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352799216 336238305 /nfs/dbraw/zinc/23/83/05/336238305.db2.gz LQWRJYKDBTXUFI-UHFFFAOYSA-N 1 2 320.433 2.575 20 30 DFEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000532326924 336241514 /nfs/dbraw/zinc/24/15/14/336241514.db2.gz ZDUFURJOEWEIBN-YNAXMUEKSA-N 1 2 314.433 2.551 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104094110 336245510 /nfs/dbraw/zinc/24/55/10/336245510.db2.gz WDMYJSZBEIEIQW-QGZVFWFLSA-N 1 2 319.470 2.606 20 30 DFEDLO C#CC[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104094110 336245511 /nfs/dbraw/zinc/24/55/11/336245511.db2.gz WDMYJSZBEIEIQW-QGZVFWFLSA-N 1 2 319.470 2.606 20 30 DFEDLO C#Cc1cccc(NC(=O)CNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301503469 336310954 /nfs/dbraw/zinc/31/09/54/336310954.db2.gz FXBAZJTXCQCUQJ-UHFFFAOYSA-N 1 2 308.385 2.806 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000352886092 336330903 /nfs/dbraw/zinc/33/09/03/336330903.db2.gz FIQFRQAMSAQDQM-SFHVURJKSA-N 1 2 324.465 2.511 20 30 DFEDLO C=C(C)CN(CC[N@@H+]1CCO[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352903832 336375701 /nfs/dbraw/zinc/37/57/01/336375701.db2.gz RXGDVIYRUGQJJU-QGZVFWFLSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C(C)CN(CC[N@H+]1CCO[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352903832 336375702 /nfs/dbraw/zinc/37/57/02/336375702.db2.gz RXGDVIYRUGQJJU-QGZVFWFLSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000353015385 336382117 /nfs/dbraw/zinc/38/21/17/336382117.db2.gz UTBABAVTTNMFTH-BFYDXBDKSA-N 1 2 305.422 2.521 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2cn3ccc(C)cc3[nH+]2)nc1 ZINC000353039502 336387618 /nfs/dbraw/zinc/38/76/18/336387618.db2.gz NBEVUBNYOXANKX-UHFFFAOYSA-N 1 2 321.384 2.566 20 30 DFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000353042539 336389156 /nfs/dbraw/zinc/38/91/56/336389156.db2.gz HZGVPHMXQOXOJU-AWEZNQCLSA-N 1 2 315.392 2.725 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000355761345 336521370 /nfs/dbraw/zinc/52/13/70/336521370.db2.gz OIYJIZMNAXRFKB-UHFFFAOYSA-N 1 2 303.387 2.556 20 30 DFEDLO Cc1cc(NC(=O)CSCC#N)c[nH+]c1N1CCCC[C@H]1C ZINC000356029100 336532905 /nfs/dbraw/zinc/53/29/05/336532905.db2.gz NGCUIRNPYVWHER-CYBMUJFWSA-N 1 2 318.446 2.964 20 30 DFEDLO N#CC[C@H](CC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000356522356 336553113 /nfs/dbraw/zinc/55/31/13/336553113.db2.gz UVFGEPFECSMLEG-IAGOWNOFSA-N 1 2 322.412 2.964 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(C)cn3)C2)cc1OC ZINC000361255296 336747121 /nfs/dbraw/zinc/74/71/21/336747121.db2.gz MKKFVUMBIWVXKJ-UHFFFAOYSA-N 1 2 313.401 2.822 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361379965 336754299 /nfs/dbraw/zinc/75/42/99/336754299.db2.gz WTOALOGPRHMPQK-UHFFFAOYSA-N 1 2 313.323 2.853 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000362679322 336808782 /nfs/dbraw/zinc/80/87/82/336808782.db2.gz JRFDDLHRPZVKQB-KBPBESRZSA-N 1 2 303.406 2.776 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1)C(C)C ZINC000374166404 336982947 /nfs/dbraw/zinc/98/29/47/336982947.db2.gz WNPXFZZLJLCOOI-SJLPKXTDSA-N 1 2 321.424 2.887 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050148 337011423 /nfs/dbraw/zinc/01/14/23/337011423.db2.gz MMPOWTTXAKJWNU-GDBMZVCRSA-N 1 2 304.434 2.958 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050148 337011424 /nfs/dbraw/zinc/01/14/24/337011424.db2.gz MMPOWTTXAKJWNU-GDBMZVCRSA-N 1 2 304.434 2.958 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722938 337034232 /nfs/dbraw/zinc/03/42/32/337034232.db2.gz KNQDQQVPCXTIRR-HZPDHXFCSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722938 337034233 /nfs/dbraw/zinc/03/42/33/337034233.db2.gz KNQDQQVPCXTIRR-HZPDHXFCSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722938 337034234 /nfs/dbraw/zinc/03/42/34/337034234.db2.gz KNQDQQVPCXTIRR-HZPDHXFCSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722938 337034235 /nfs/dbraw/zinc/03/42/35/337034235.db2.gz KNQDQQVPCXTIRR-HZPDHXFCSA-N 1 2 312.417 2.936 20 30 DFEDLO C=C(CNC(=O)N1CCn2c(C)c(C)[nH+]c2C1)c1ccccc1 ZINC000377069960 337046327 /nfs/dbraw/zinc/04/63/27/337046327.db2.gz WNRJOBZCVDEWSJ-UHFFFAOYSA-N 1 2 310.401 2.739 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377107800 337046919 /nfs/dbraw/zinc/04/69/19/337046919.db2.gz LLFVHEGNUWPHPA-HNNXBMFYSA-N 1 2 314.433 2.744 20 30 DFEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000378406940 337071993 /nfs/dbraw/zinc/07/19/93/337071993.db2.gz GUTNGGIWVKMSOW-CDVVCGDMSA-N 1 2 322.368 2.689 20 30 DFEDLO Cc1cc(NC(=O)[C@]2(C#N)CCc3ccccc3C2)c(C)c[nH+]1 ZINC000378465011 337073545 /nfs/dbraw/zinc/07/35/45/337073545.db2.gz WNXFDPRZRFLCJU-LJQANCHMSA-N 1 2 305.381 2.758 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000582467592 337093769 /nfs/dbraw/zinc/09/37/69/337093769.db2.gz QDPGHQOXZQWFFN-CVEARBPZSA-N 1 2 310.401 2.668 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000177075071 337154104 /nfs/dbraw/zinc/15/41/04/337154104.db2.gz ZYDZOKAWKGIEBO-UHFFFAOYSA-N 1 2 310.800 2.655 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000177075071 337154105 /nfs/dbraw/zinc/15/41/05/337154105.db2.gz ZYDZOKAWKGIEBO-UHFFFAOYSA-N 1 2 310.800 2.655 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178475768 337163120 /nfs/dbraw/zinc/16/31/20/337163120.db2.gz YKFNTJXCASWSBN-CQSZACIVSA-N 1 2 313.376 2.799 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC)cc1OC ZINC000179806408 337171865 /nfs/dbraw/zinc/17/18/65/337171865.db2.gz WYQHWSJNFIUQSI-HNNXBMFYSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC)cc1OC ZINC000179806408 337171866 /nfs/dbraw/zinc/17/18/66/337171866.db2.gz WYQHWSJNFIUQSI-HNNXBMFYSA-N 1 2 319.401 2.788 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cccc(CC#N)c1)CCC2 ZINC000582829311 337206550 /nfs/dbraw/zinc/20/65/50/337206550.db2.gz FATCAVVYZWYJTB-HNNXBMFYSA-N 1 2 323.400 2.957 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000228479567 337255200 /nfs/dbraw/zinc/25/52/00/337255200.db2.gz VZPHCKCORUQYTH-JTQLQIEISA-N 1 2 309.207 2.975 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)CCCCC1 ZINC000186184325 337254315 /nfs/dbraw/zinc/25/43/15/337254315.db2.gz CEVCYKJUPRPDRU-UHFFFAOYSA-N 1 2 323.440 2.876 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)CCCCC1 ZINC000186184325 337254316 /nfs/dbraw/zinc/25/43/16/337254316.db2.gz CEVCYKJUPRPDRU-UHFFFAOYSA-N 1 2 323.440 2.876 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000228479567 337255199 /nfs/dbraw/zinc/25/51/99/337255199.db2.gz VZPHCKCORUQYTH-JTQLQIEISA-N 1 2 309.207 2.975 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000583259410 337292475 /nfs/dbraw/zinc/29/24/75/337292475.db2.gz YTUXVKWRNNPXTR-HOCLYGCPSA-N 1 2 310.401 2.526 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000191117289 337294213 /nfs/dbraw/zinc/29/42/13/337294213.db2.gz SUCBGAPXFYHZEJ-AWEZNQCLSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000191117289 337294214 /nfs/dbraw/zinc/29/42/14/337294214.db2.gz SUCBGAPXFYHZEJ-AWEZNQCLSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CCC1(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCC1 ZINC000191123306 337294366 /nfs/dbraw/zinc/29/43/66/337294366.db2.gz KFDJXRCDXHEUPW-UHFFFAOYSA-N 1 2 319.474 2.924 20 30 DFEDLO C=CCC1(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCC1 ZINC000191123306 337294367 /nfs/dbraw/zinc/29/43/67/337294367.db2.gz KFDJXRCDXHEUPW-UHFFFAOYSA-N 1 2 319.474 2.924 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192108056 337302927 /nfs/dbraw/zinc/30/29/27/337302927.db2.gz DNOICFDGXABXHB-NRFANRHFSA-N 1 2 315.420 2.921 20 30 DFEDLO C=CCCCCCN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418714007 337391387 /nfs/dbraw/zinc/39/13/87/337391387.db2.gz AEWTUOPGJIEBHR-CYBMUJFWSA-N 1 2 303.397 2.619 20 30 DFEDLO C=CCC1(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCCC1 ZINC000418727917 337393735 /nfs/dbraw/zinc/39/37/35/337393735.db2.gz NAVWURKZOSXCMH-ZDUSSCGKSA-N 1 2 315.408 2.809 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000124738771 337407284 /nfs/dbraw/zinc/40/72/84/337407284.db2.gz AZKVREVPNIRSHM-MAUKXSAKSA-N 1 2 323.396 2.618 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045845063 337422532 /nfs/dbraw/zinc/42/25/32/337422532.db2.gz RZZOQJWSDYSXHM-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425271853 337445753 /nfs/dbraw/zinc/44/57/53/337445753.db2.gz JTGMZBWYHVKTCK-GXTWGEPZSA-N 1 2 323.356 2.886 20 30 DFEDLO O=C(NCC#Cc1ccccc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000264346161 337632395 /nfs/dbraw/zinc/63/23/95/337632395.db2.gz AEMKPTLIUVPYGW-MRXNPFEDSA-N 1 2 308.385 2.698 20 30 DFEDLO C#CCN(C(=O)NCc1[nH+]ccn1CC(C)C)C1CCCC1 ZINC000122691669 337924048 /nfs/dbraw/zinc/92/40/48/337924048.db2.gz KTKPNMYRHGFIGT-UHFFFAOYSA-N 1 2 302.422 2.627 20 30 DFEDLO Cn1c(C[NH2+]C[C@H](C#N)CCC#N)nc2cccc(Cl)c21 ZINC000515539720 337991876 /nfs/dbraw/zinc/99/18/76/337991876.db2.gz GINFXQNNPNHBEN-NSHDSACASA-N 1 2 301.781 2.760 20 30 DFEDLO C[C@H](NC(=O)NCC1(CC#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000430844513 338116844 /nfs/dbraw/zinc/11/68/44/338116844.db2.gz LXIZFNSSOPFXQN-AWEZNQCLSA-N 1 2 323.400 2.926 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(CC#N)CC1 ZINC000431052770 338121238 /nfs/dbraw/zinc/12/12/38/338121238.db2.gz IBMBCZBGEUFDPI-UHFFFAOYSA-N 1 2 317.437 2.561 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(CC#N)CC2)c1C ZINC000431187688 338125362 /nfs/dbraw/zinc/12/53/62/338125362.db2.gz QPXRJFVYEKNJLA-UHFFFAOYSA-N 1 2 316.405 2.542 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431375032 338129433 /nfs/dbraw/zinc/12/94/33/338129433.db2.gz QJBQCOXIFOIQCJ-MRXNPFEDSA-N 1 2 311.389 2.654 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433289589 338189649 /nfs/dbraw/zinc/18/96/49/338189649.db2.gz QMJJSDDTKYXOBT-CYBMUJFWSA-N 1 2 303.406 2.894 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433289589 338189650 /nfs/dbraw/zinc/18/96/50/338189650.db2.gz QMJJSDDTKYXOBT-CYBMUJFWSA-N 1 2 303.406 2.894 20 30 DFEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296755 338189913 /nfs/dbraw/zinc/18/99/13/338189913.db2.gz UGBBCJNTDNJDFC-UONOGXRCSA-N 1 2 317.433 2.742 20 30 DFEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296755 338189914 /nfs/dbraw/zinc/18/99/14/338189914.db2.gz UGBBCJNTDNJDFC-UONOGXRCSA-N 1 2 317.433 2.742 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C2CC2)o1 ZINC000433309596 338191170 /nfs/dbraw/zinc/19/11/70/338191170.db2.gz BLISTBDDGJKFIP-UHFFFAOYSA-N 1 2 303.406 2.561 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C2CC2)o1 ZINC000433309596 338191171 /nfs/dbraw/zinc/19/11/71/338191171.db2.gz BLISTBDDGJKFIP-UHFFFAOYSA-N 1 2 303.406 2.561 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433315677 338191837 /nfs/dbraw/zinc/19/18/37/338191837.db2.gz YVPFRBZACCKQIS-CSLYMUCUSA-N 1 2 318.465 2.787 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433315677 338191838 /nfs/dbraw/zinc/19/18/38/338191838.db2.gz YVPFRBZACCKQIS-CSLYMUCUSA-N 1 2 318.465 2.787 20 30 DFEDLO C=C(C)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000154273438 338240735 /nfs/dbraw/zinc/24/07/35/338240735.db2.gz ROEXIICGOPQMOS-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=C(C)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000154273438 338240736 /nfs/dbraw/zinc/24/07/36/338240736.db2.gz ROEXIICGOPQMOS-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000448584415 338300785 /nfs/dbraw/zinc/30/07/85/338300785.db2.gz YHFURHQABRVOKM-DYVFJYSZSA-N 1 2 317.820 2.534 20 30 DFEDLO N#CCCN(Cc1ccco1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439030261 338358988 /nfs/dbraw/zinc/35/89/88/338358988.db2.gz UNXOFAVVBHMGAT-UHFFFAOYSA-N 1 2 309.329 2.875 20 30 DFEDLO C=CCC[C@@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OCC ZINC000449657132 338644758 /nfs/dbraw/zinc/64/47/58/338644758.db2.gz NTNWIRSKQJNPAH-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000450068173 338665600 /nfs/dbraw/zinc/66/56/00/338665600.db2.gz ODCRMCQKGHNSRC-BEFAXECRSA-N 1 2 322.412 2.682 20 30 DFEDLO C=CCC1(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000458322069 338996060 /nfs/dbraw/zinc/99/60/60/338996060.db2.gz YEEAFQYFWPQCJN-HZPDHXFCSA-N 1 2 323.481 2.674 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000458322070 338996062 /nfs/dbraw/zinc/99/60/62/338996062.db2.gz YEEAFQYFWPQCJN-JKSUJKDBSA-N 1 2 323.481 2.674 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000458989653 339010332 /nfs/dbraw/zinc/01/03/32/339010332.db2.gz PXMASHMVIRCSOH-AWEZNQCLSA-N 1 2 304.438 2.596 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459470041 339031107 /nfs/dbraw/zinc/03/11/07/339031107.db2.gz SXWXYQZAJSJXRK-MFKMUULPSA-N 1 2 311.307 2.926 20 30 DFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000459614194 339038580 /nfs/dbraw/zinc/03/85/80/339038580.db2.gz XUWMLWJTRFVJLQ-UHFFFAOYSA-N 1 2 317.780 2.504 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000459675894 339042545 /nfs/dbraw/zinc/04/25/45/339042545.db2.gz KRKBCDLREQNQTH-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000459675894 339042546 /nfs/dbraw/zinc/04/25/46/339042546.db2.gz KRKBCDLREQNQTH-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000491733110 339876910 /nfs/dbraw/zinc/87/69/10/339876910.db2.gz IAAQXQXHKYPGAP-ZFWWWQNUSA-N 1 2 313.788 2.590 20 30 DFEDLO CC1(C)C[C@@]1(C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493017479 339915025 /nfs/dbraw/zinc/91/50/25/339915025.db2.gz NHYUBFVPLKEOLT-MTIYJEKLSA-N 1 2 306.369 2.694 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493351004 339923700 /nfs/dbraw/zinc/92/37/00/339923700.db2.gz KAYXZJBOFOUBQS-AATRIKPKSA-N 1 2 313.405 2.805 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](C(C)(C)C#N)C[C@H]21 ZINC000496472865 340006250 /nfs/dbraw/zinc/00/62/50/340006250.db2.gz AHUSZRUQRNTUKG-MGPQQGTHSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](C(C)(C)C#N)C[C@H]21 ZINC000496472865 340006251 /nfs/dbraw/zinc/00/62/51/340006251.db2.gz AHUSZRUQRNTUKG-MGPQQGTHSA-N 1 2 307.438 2.914 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000521052299 340479469 /nfs/dbraw/zinc/47/94/69/340479469.db2.gz QXEPFCJXNDVIET-LJQANCHMSA-N 1 2 315.461 2.877 20 30 DFEDLO Cc1sc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(C#N)c1C ZINC000543806323 341059875 /nfs/dbraw/zinc/05/98/75/341059875.db2.gz CMJMKEADHDLNTF-UHFFFAOYSA-N 1 2 316.430 2.801 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ncc(Br)s2)c1 ZINC000547341352 341207322 /nfs/dbraw/zinc/20/73/22/341207322.db2.gz MIZQIPBZFCRNQN-UHFFFAOYSA-N 1 2 309.192 2.979 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000547666608 341226281 /nfs/dbraw/zinc/22/62/81/341226281.db2.gz ITHXUHRRQIDGHC-CQSZACIVSA-N 1 2 312.373 2.584 20 30 DFEDLO N#CCC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccco1 ZINC000081518314 341294697 /nfs/dbraw/zinc/29/46/97/341294697.db2.gz SGGJMEPVOMRQOK-UHFFFAOYSA-N 1 2 323.396 2.975 20 30 DFEDLO N#CCC[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccco1 ZINC000081518314 341294698 /nfs/dbraw/zinc/29/46/98/341294698.db2.gz SGGJMEPVOMRQOK-UHFFFAOYSA-N 1 2 323.396 2.975 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C3CC3)C3(C#N)CCC3)[nH+]c12 ZINC000551287097 341337241 /nfs/dbraw/zinc/33/72/41/341337241.db2.gz JFMCOXYQPBOLMP-UHFFFAOYSA-N 1 2 308.385 2.623 20 30 DFEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC000553817036 341436395 /nfs/dbraw/zinc/43/63/95/341436395.db2.gz MSBXPBIXZRDUJH-PMPSAXMXSA-N 1 2 320.396 2.595 20 30 DFEDLO CC[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000576994973 341874372 /nfs/dbraw/zinc/87/43/72/341874372.db2.gz ZBDPRQUMJWROOV-CRAIPNDOSA-N 1 2 301.434 2.839 20 30 DFEDLO C=CCCC(C)(C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663685228 500574831 /nfs/dbraw/zinc/57/48/31/500574831.db2.gz BPIRFYAWVUQSOB-UHFFFAOYSA-N 1 2 304.438 2.806 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000154077746 519781025 /nfs/dbraw/zinc/78/10/25/519781025.db2.gz XTMBYNJARMHQFV-ZDUSSCGKSA-N 1 2 324.384 2.743 20 30 DFEDLO C=CCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000263980087 534606160 /nfs/dbraw/zinc/60/61/60/534606160.db2.gz KECRXUQMEKDOBD-UHFFFAOYSA-N 1 2 302.422 2.523 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000364985560 526608044 /nfs/dbraw/zinc/60/80/44/526608044.db2.gz RFYKXZSQFATTOH-MRXNPFEDSA-N 1 2 320.396 2.508 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000156684685 526725941 /nfs/dbraw/zinc/72/59/41/526725941.db2.gz HXMJRRGEITWGLL-SFHVURJKSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000156684685 526725945 /nfs/dbraw/zinc/72/59/45/526725945.db2.gz HXMJRRGEITWGLL-SFHVURJKSA-N 1 2 312.369 2.994 20 30 DFEDLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C#N ZINC000354175614 527195923 /nfs/dbraw/zinc/19/59/23/527195923.db2.gz FSZRTCNYSCQAIQ-CQSZACIVSA-N 1 2 315.339 2.829 20 30 DFEDLO Cn1cc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1C#N ZINC000354175614 527195931 /nfs/dbraw/zinc/19/59/31/527195931.db2.gz FSZRTCNYSCQAIQ-CQSZACIVSA-N 1 2 315.339 2.829 20 30 DFEDLO CCOC(=O)c1cnn(Cc2ccc(C(C)C)[nH+]c2C)c1C#N ZINC000292637917 528318310 /nfs/dbraw/zinc/31/83/10/528318310.db2.gz LIVWJQSAPCHMDY-UHFFFAOYSA-N 1 2 312.373 2.807 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330932320 529300925 /nfs/dbraw/zinc/30/09/25/529300925.db2.gz XSDOKYXKGVRKQH-YPMHNXCESA-N 1 2 321.446 2.923 20 30 DFEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330932320 529300927 /nfs/dbraw/zinc/30/09/27/529300927.db2.gz XSDOKYXKGVRKQH-YPMHNXCESA-N 1 2 321.446 2.923 20 30 DFEDLO COCC#CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000681468590 545644999 /nfs/dbraw/zinc/64/49/99/545644999.db2.gz XBSKDGLATBHHQH-LJQANCHMSA-N 1 2 319.408 2.902 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1Br ZINC000683045974 545966662 /nfs/dbraw/zinc/96/66/62/545966662.db2.gz CEYBNFQDENGGTO-CYBMUJFWSA-N 1 2 302.187 2.957 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000683045974 545966664 /nfs/dbraw/zinc/96/66/64/545966664.db2.gz CEYBNFQDENGGTO-CYBMUJFWSA-N 1 2 302.187 2.957 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000683784868 546094486 /nfs/dbraw/zinc/09/44/86/546094486.db2.gz IOVINFZBECLECB-GOSISDBHSA-N 1 2 314.385 2.656 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000683784868 546094489 /nfs/dbraw/zinc/09/44/89/546094489.db2.gz IOVINFZBECLECB-GOSISDBHSA-N 1 2 314.385 2.656 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000685871887 546402809 /nfs/dbraw/zinc/40/28/09/546402809.db2.gz CWFRHLCBIZONQN-HUUCEWRRSA-N 1 2 305.422 2.938 20 30 DFEDLO N#CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1 ZINC000826381178 607708163 /nfs/dbraw/zinc/70/81/63/607708163.db2.gz ALQLOFCGQQIDGQ-AWEZNQCLSA-N 1 2 308.345 2.594 20 30 DFEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nccn1C(F)F ZINC000076647948 185028160 /nfs/dbraw/zinc/02/81/60/185028160.db2.gz RAENPFZHCRSCHE-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nccn1C(F)F ZINC000076647948 185028162 /nfs/dbraw/zinc/02/81/62/185028162.db2.gz RAENPFZHCRSCHE-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3sccc3Cl)CC2)c1 ZINC000278507767 214200627 /nfs/dbraw/zinc/20/06/27/214200627.db2.gz WJWVQLFAVPVUQD-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=C[C@@](C)(O)CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000278516701 214206371 /nfs/dbraw/zinc/20/63/71/214206371.db2.gz CBVJYAUPPUCTAD-MLGOLLRUSA-N 1 2 323.462 2.641 20 30 DFEDLO C=C[C@@](C)(O)CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000278516701 214206374 /nfs/dbraw/zinc/20/63/74/214206374.db2.gz CBVJYAUPPUCTAD-MLGOLLRUSA-N 1 2 323.462 2.641 20 30 DFEDLO Cc1nc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278520473 214207521 /nfs/dbraw/zinc/20/75/21/214207521.db2.gz CKPCKSJQVPZZHI-ZDUSSCGKSA-N 1 2 311.389 2.523 20 30 DFEDLO Cc1nc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278520473 214207525 /nfs/dbraw/zinc/20/75/25/214207525.db2.gz CKPCKSJQVPZZHI-ZDUSSCGKSA-N 1 2 311.389 2.523 20 30 DFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000006566851 398355429 /nfs/dbraw/zinc/35/54/29/398355429.db2.gz ZFAQYXZSVIJLGJ-ZDUSSCGKSA-N 1 2 306.369 2.749 20 30 DFEDLO C=CC[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000081648884 398364580 /nfs/dbraw/zinc/36/45/80/398364580.db2.gz AFSZLXRSSAFWNS-UHFFFAOYSA-N 1 2 322.408 2.674 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000081648884 398364583 /nfs/dbraw/zinc/36/45/83/398364583.db2.gz AFSZLXRSSAFWNS-UHFFFAOYSA-N 1 2 322.408 2.674 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578903996 398377052 /nfs/dbraw/zinc/37/70/52/398377052.db2.gz DTFAYTYNNWFMAI-RYUDHWBXSA-N 1 2 304.350 2.512 20 30 DFEDLO N#CC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000579703061 398382432 /nfs/dbraw/zinc/38/24/32/398382432.db2.gz QMSUFODQJGEIDW-INIZCTEOSA-N 1 2 308.385 2.694 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000579942516 398384030 /nfs/dbraw/zinc/38/40/30/398384030.db2.gz HSYNLYNMQXTCSY-GFCCVEGCSA-N 1 2 301.350 2.532 20 30 DFEDLO N#CC[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000596331632 398387575 /nfs/dbraw/zinc/38/75/75/398387575.db2.gz SLZNXKIZAMOADE-CQSZACIVSA-N 1 2 318.384 2.946 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000581187276 398388493 /nfs/dbraw/zinc/38/84/93/398388493.db2.gz RFHNYRUQHYVJDE-DJJJIMSYSA-N 1 2 322.412 2.894 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Cl)c1Cl ZINC000581285944 398389352 /nfs/dbraw/zinc/38/93/52/398389352.db2.gz DIBHEQOEBRHWGC-ZDUSSCGKSA-N 1 2 300.189 2.567 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000592136085 398390173 /nfs/dbraw/zinc/39/01/73/398390173.db2.gz JSLZXZABPYVIAY-UHFFFAOYSA-N 1 2 307.344 2.919 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000592147116 398392705 /nfs/dbraw/zinc/39/27/05/398392705.db2.gz INSOFVGCLOHROK-MRXNPFEDSA-N 1 2 317.389 2.800 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000592147116 398392707 /nfs/dbraw/zinc/39/27/07/398392707.db2.gz INSOFVGCLOHROK-MRXNPFEDSA-N 1 2 317.389 2.800 20 30 DFEDLO Cc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592155137 398393533 /nfs/dbraw/zinc/39/35/33/398393533.db2.gz YMOIXKWGUWKXPO-AWEZNQCLSA-N 1 2 309.207 2.608 20 30 DFEDLO Cc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592155137 398393536 /nfs/dbraw/zinc/39/35/36/398393536.db2.gz YMOIXKWGUWKXPO-AWEZNQCLSA-N 1 2 309.207 2.608 20 30 DFEDLO CCC(CC)[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000172931799 282258008 /nfs/dbraw/zinc/25/80/08/282258008.db2.gz HSFVXQFYDGKAKC-QGZVFWFLSA-N 1 2 315.417 2.634 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H]1c1ccc(F)cc1 ZINC000596440693 398412984 /nfs/dbraw/zinc/41/29/84/398412984.db2.gz LCPMCNOUXHKEGZ-OAHLLOKOSA-N 1 2 322.347 2.830 20 30 DFEDLO C=C[C@@H]([NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC ZINC000592446160 398427341 /nfs/dbraw/zinc/42/73/41/398427341.db2.gz XKMMSCSREDENIH-SMDDNHRTSA-N 1 2 318.804 2.996 20 30 DFEDLO C=CCOc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000023082801 398422194 /nfs/dbraw/zinc/42/21/94/398422194.db2.gz GLWJABUZLLZGOM-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO Cc1cc(F)cc2c1C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592510132 398438110 /nfs/dbraw/zinc/43/81/10/398438110.db2.gz WTYOEIWRNKVREF-UHFFFAOYSA-N 1 2 321.359 2.607 20 30 DFEDLO Cc1cc(F)cc2c1C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592510132 398438114 /nfs/dbraw/zinc/43/81/14/398438114.db2.gz WTYOEIWRNKVREF-UHFFFAOYSA-N 1 2 321.359 2.607 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000592521780 398439973 /nfs/dbraw/zinc/43/99/73/398439973.db2.gz BZAHFYRSUGZEFR-MRXNPFEDSA-N 1 2 315.398 2.676 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000592521780 398439976 /nfs/dbraw/zinc/43/99/76/398439976.db2.gz BZAHFYRSUGZEFR-MRXNPFEDSA-N 1 2 315.398 2.676 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc1 ZINC000088504117 398437346 /nfs/dbraw/zinc/43/73/46/398437346.db2.gz KIPHHHAALAPCCO-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718777 398441637 /nfs/dbraw/zinc/44/16/37/398441637.db2.gz XVSZYXHVSLDWPJ-FQEVSTJZSA-N 1 2 322.408 2.712 20 30 DFEDLO N#Cc1ccccc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718777 398441639 /nfs/dbraw/zinc/44/16/39/398441639.db2.gz XVSZYXHVSLDWPJ-FQEVSTJZSA-N 1 2 322.408 2.712 20 30 DFEDLO C=C(Br)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190504699 334952614 /nfs/dbraw/zinc/95/26/14/334952614.db2.gz BZZIQJVMERFCLV-UHFFFAOYSA-N 1 2 315.186 2.973 20 30 DFEDLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907927 334954188 /nfs/dbraw/zinc/95/41/88/334954188.db2.gz YFUIQVFMZXQBQA-LBPRGKRZSA-N 1 2 303.431 2.971 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000596594424 398455816 /nfs/dbraw/zinc/45/58/16/398455816.db2.gz UTLSKZZVFRJXKJ-GOSISDBHSA-N 1 2 320.396 2.975 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000596594424 398455817 /nfs/dbraw/zinc/45/58/17/398455817.db2.gz UTLSKZZVFRJXKJ-GOSISDBHSA-N 1 2 320.396 2.975 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000586777781 398457519 /nfs/dbraw/zinc/45/75/19/398457519.db2.gz YHBSBDKHPQFVFJ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000586777781 398457522 /nfs/dbraw/zinc/45/75/22/398457522.db2.gz YHBSBDKHPQFVFJ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000596606003 398459863 /nfs/dbraw/zinc/45/98/63/398459863.db2.gz JRFGOXHSDRGLQG-MRXNPFEDSA-N 1 2 311.389 2.986 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000596606003 398459864 /nfs/dbraw/zinc/45/98/64/398459864.db2.gz JRFGOXHSDRGLQG-MRXNPFEDSA-N 1 2 311.389 2.986 20 30 DFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@]3(C#N)CC34CCCC4)cn21 ZINC000592745561 398479641 /nfs/dbraw/zinc/47/96/41/398479641.db2.gz JKYYLTJBRQCKGK-LJQANCHMSA-N 1 2 322.412 2.776 20 30 DFEDLO C=CCCSCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000596716044 398484266 /nfs/dbraw/zinc/48/42/66/398484266.db2.gz CXWHUVFQMQCFMH-CABCVRRESA-N 1 2 322.478 2.785 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3cccc(C#N)c3)n2)C1 ZINC000272719004 210124634 /nfs/dbraw/zinc/12/46/34/210124634.db2.gz ZAQDIEOABAUPPB-FYCOFBDGSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3cccc(C#N)c3)n2)C1 ZINC000272719004 210124639 /nfs/dbraw/zinc/12/46/39/210124639.db2.gz ZAQDIEOABAUPPB-FYCOFBDGSA-N 1 2 324.384 2.893 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000297360777 398491179 /nfs/dbraw/zinc/49/11/79/398491179.db2.gz OUAVRIKGLWXOLJ-HIFRSBDPSA-N 1 2 320.437 2.542 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000297443339 398491636 /nfs/dbraw/zinc/49/16/36/398491636.db2.gz BATWRYFVBPELDC-YJBOKZPZSA-N 1 2 322.412 2.657 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596739960 398490456 /nfs/dbraw/zinc/49/04/56/398490456.db2.gz AYXHMJYOCLVIPC-IAGOWNOFSA-N 1 2 320.396 2.586 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000596766498 398497079 /nfs/dbraw/zinc/49/70/79/398497079.db2.gz AZUDJGDXIMYCCX-MJBXVCDLSA-N 1 2 301.394 2.729 20 30 DFEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000068455756 398504744 /nfs/dbraw/zinc/50/47/44/398504744.db2.gz RUSYSDZGATYQPE-CYBMUJFWSA-N 1 2 323.183 2.961 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000592946188 398510412 /nfs/dbraw/zinc/51/04/12/398510412.db2.gz VFVIHMWGAYYRON-ZDUSSCGKSA-N 1 2 324.384 2.743 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000596847321 398513324 /nfs/dbraw/zinc/51/33/24/398513324.db2.gz CGLPOFPNFPPACA-HZPDHXFCSA-N 1 2 324.384 2.845 20 30 DFEDLO COc1ccc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)nc1 ZINC000593035893 398527345 /nfs/dbraw/zinc/52/73/45/398527345.db2.gz BOBHNOKUFQXNEA-UHFFFAOYSA-N 1 2 314.414 2.798 20 30 DFEDLO CCCn1nccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000596983733 398540369 /nfs/dbraw/zinc/54/03/69/398540369.db2.gz IINIVAPDPBZSJI-IBGZPJMESA-N 1 2 323.444 2.676 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2(CCC2)CO1 ZINC000593091119 398542489 /nfs/dbraw/zinc/54/24/89/398542489.db2.gz FOBOMAYOMPHUOG-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2(CCC2)CO1 ZINC000593091119 398542493 /nfs/dbraw/zinc/54/24/93/398542493.db2.gz FOBOMAYOMPHUOG-ZDUSSCGKSA-N 1 2 324.384 2.752 20 30 DFEDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123051 398552228 /nfs/dbraw/zinc/55/22/28/398552228.db2.gz HCNIXYDHQYCAMF-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123051 398552230 /nfs/dbraw/zinc/55/22/30/398552230.db2.gz HCNIXYDHQYCAMF-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO C[C@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)n1cc[nH+]c1 ZINC000593149668 398558931 /nfs/dbraw/zinc/55/89/31/398558931.db2.gz AHIGVLLYDXSTNR-LLVKDONJSA-N 1 2 302.765 2.676 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000597132491 398572884 /nfs/dbraw/zinc/57/28/84/398572884.db2.gz IHUAZGLFDVMNND-KGLIPLIRSA-N 1 2 303.381 2.581 20 30 DFEDLO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@H]1CCOC1 ZINC000589747912 398574452 /nfs/dbraw/zinc/57/44/52/398574452.db2.gz NESSAYPUBWNAHN-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@H]1CCOC1 ZINC000589747912 398574454 /nfs/dbraw/zinc/57/44/54/398574454.db2.gz NESSAYPUBWNAHN-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C[C@@H](C)OC ZINC000589753366 398574526 /nfs/dbraw/zinc/57/45/26/398574526.db2.gz PTBVZWLHSLDYQS-CQSZACIVSA-N 1 2 312.417 2.909 20 30 DFEDLO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C[C@@H](C)OC ZINC000589753366 398574529 /nfs/dbraw/zinc/57/45/29/398574529.db2.gz PTBVZWLHSLDYQS-CQSZACIVSA-N 1 2 312.417 2.909 20 30 DFEDLO C[C@H](CC#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000597154541 398577924 /nfs/dbraw/zinc/57/79/24/398577924.db2.gz PFRNAEGWIONUPE-ZIAGYGMSSA-N 1 2 301.390 2.568 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000597179311 398583356 /nfs/dbraw/zinc/58/33/56/398583356.db2.gz FYWJUXRTKRFGAT-LBPRGKRZSA-N 1 2 312.348 2.601 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000597179311 398583358 /nfs/dbraw/zinc/58/33/58/398583358.db2.gz FYWJUXRTKRFGAT-LBPRGKRZSA-N 1 2 312.348 2.601 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597196200 398587225 /nfs/dbraw/zinc/58/72/25/398587225.db2.gz DHFACYRWBZPGAX-UKRRQHHQSA-N 1 2 303.454 2.781 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]2CCC[C@@H]21 ZINC000590147366 398599982 /nfs/dbraw/zinc/59/99/82/398599982.db2.gz YATFPUKJSXVFEV-KBPBESRZSA-N 1 2 310.405 2.755 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000279997808 215300585 /nfs/dbraw/zinc/30/05/85/215300585.db2.gz JFAVOPQKULAYGJ-OAHLLOKOSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000279997808 215300589 /nfs/dbraw/zinc/30/05/89/215300589.db2.gz JFAVOPQKULAYGJ-OAHLLOKOSA-N 1 2 312.373 2.638 20 30 DFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590285302 398609568 /nfs/dbraw/zinc/60/95/68/398609568.db2.gz GWRWQNDONASNQT-HNNXBMFYSA-N 1 2 308.385 2.514 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590285303 398609645 /nfs/dbraw/zinc/60/96/45/398609645.db2.gz GWRWQNDONASNQT-OAHLLOKOSA-N 1 2 308.385 2.514 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000593387175 398615789 /nfs/dbraw/zinc/61/57/89/398615789.db2.gz NGQFSUHDAUTFBX-CQSZACIVSA-N 1 2 305.809 2.534 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ncc(C#N)cc1C ZINC000590396983 398618461 /nfs/dbraw/zinc/61/84/61/398618461.db2.gz SVTWQHPYLXLRNX-OAHLLOKOSA-N 1 2 323.400 2.846 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000593417220 398622529 /nfs/dbraw/zinc/62/25/29/398622529.db2.gz PKTSPXIEJMQYBQ-LBPRGKRZSA-N 1 2 306.435 2.863 20 30 DFEDLO CC(C)(C)OC(=O)c1cc(N[C@H]2CC[C@@H](CC#N)C2)cc[nH+]1 ZINC000593476087 398640127 /nfs/dbraw/zinc/64/01/27/398640127.db2.gz QPUNZCCDQJCYQE-STQMWFEESA-N 1 2 301.390 2.953 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)CC#N ZINC000597437402 398640562 /nfs/dbraw/zinc/64/05/62/398640562.db2.gz VEFMSVAGTOIATC-DZGCQCFKSA-N 1 2 310.401 2.886 20 30 DFEDLO Cc1ccc([C@@H](CNc2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000094148914 398654189 /nfs/dbraw/zinc/65/41/89/398654189.db2.gz NRHIFFCPCGKJFA-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000593545459 398654681 /nfs/dbraw/zinc/65/46/81/398654681.db2.gz SVSFYZIOWWVVSF-DOTOQJQBSA-N 1 2 310.401 2.907 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757291 398667817 /nfs/dbraw/zinc/66/78/17/398667817.db2.gz KGESLCRGVRJBJW-ZFWWWQNUSA-N 1 2 304.346 2.502 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757291 398667820 /nfs/dbraw/zinc/66/78/20/398667820.db2.gz KGESLCRGVRJBJW-ZFWWWQNUSA-N 1 2 304.346 2.502 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515428 191186766 /nfs/dbraw/zinc/18/67/66/191186766.db2.gz KEDNDHQNGYKSDU-VIFPVBQESA-N 1 2 317.252 2.633 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515428 191186767 /nfs/dbraw/zinc/18/67/67/191186767.db2.gz KEDNDHQNGYKSDU-VIFPVBQESA-N 1 2 317.252 2.633 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000590807882 398678514 /nfs/dbraw/zinc/67/85/14/398678514.db2.gz WEZAEGKFGWQWGA-QWHCGFSZSA-N 1 2 311.389 2.896 20 30 DFEDLO N#Cc1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045710025 398681662 /nfs/dbraw/zinc/68/16/62/398681662.db2.gz GHXQCCYVGFLUHB-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO Cc1cc(NC(=O)N2CC(C#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000590826331 398682135 /nfs/dbraw/zinc/68/21/35/398682135.db2.gz GDWXWPOSPHYCTE-ZDUSSCGKSA-N 1 2 313.405 2.756 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000590836168 398684772 /nfs/dbraw/zinc/68/47/72/398684772.db2.gz DIJQOYZBLYZNND-BLLLJJGKSA-N 1 2 323.400 2.822 20 30 DFEDLO N#CCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000104090505 398686437 /nfs/dbraw/zinc/68/64/37/398686437.db2.gz AGJFNRONWYFGDE-UHFFFAOYSA-N 1 2 300.793 2.529 20 30 DFEDLO C=CCSCCNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277130291 213312681 /nfs/dbraw/zinc/31/26/81/213312681.db2.gz ZVBWGOCYYZDOFP-UHFFFAOYSA-N 1 2 324.494 2.786 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000590887909 398695832 /nfs/dbraw/zinc/69/58/32/398695832.db2.gz WCLLBGCHLGSHHC-GOSISDBHSA-N 1 2 320.396 2.865 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000590887909 398695835 /nfs/dbraw/zinc/69/58/35/398695835.db2.gz WCLLBGCHLGSHHC-GOSISDBHSA-N 1 2 320.396 2.865 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000590887910 398695912 /nfs/dbraw/zinc/69/59/12/398695912.db2.gz WCLLBGCHLGSHHC-SFHVURJKSA-N 1 2 320.396 2.865 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000590887910 398695915 /nfs/dbraw/zinc/69/59/15/398695915.db2.gz WCLLBGCHLGSHHC-SFHVURJKSA-N 1 2 320.396 2.865 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CCC2)cc1 ZINC000597826164 398702011 /nfs/dbraw/zinc/70/20/11/398702011.db2.gz JRWARCDFRNZZMX-AWEZNQCLSA-N 1 2 320.396 2.582 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CCC2)cc1 ZINC000597826164 398702015 /nfs/dbraw/zinc/70/20/15/398702015.db2.gz JRWARCDFRNZZMX-AWEZNQCLSA-N 1 2 320.396 2.582 20 30 DFEDLO N#CCCCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000593967870 398710477 /nfs/dbraw/zinc/71/04/77/398710477.db2.gz GSWCMHTWCLUSKL-UHFFFAOYSA-N 1 2 301.390 2.541 20 30 DFEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000593969723 398710516 /nfs/dbraw/zinc/71/05/16/398710516.db2.gz DJLKCCGFYWTRCS-UHFFFAOYSA-N 1 2 315.377 2.787 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000046527987 398711585 /nfs/dbraw/zinc/71/15/85/398711585.db2.gz OHNBXFTXDMEHMB-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000046527987 398711590 /nfs/dbraw/zinc/71/15/90/398711590.db2.gz OHNBXFTXDMEHMB-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000046528861 398711805 /nfs/dbraw/zinc/71/18/05/398711805.db2.gz IMTKYGOSHXYART-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000046528861 398711809 /nfs/dbraw/zinc/71/18/09/398711809.db2.gz IMTKYGOSHXYART-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO CC(C)(C)n1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000593994705 398716238 /nfs/dbraw/zinc/71/62/38/398716238.db2.gz HFRKHVAJFHIAOA-OAHLLOKOSA-N 1 2 312.421 2.953 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051106 398718455 /nfs/dbraw/zinc/71/84/55/398718455.db2.gz DJKYYXMMQFBHTA-HZPDHXFCSA-N 1 2 301.386 2.568 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051106 398718458 /nfs/dbraw/zinc/71/84/58/398718458.db2.gz DJKYYXMMQFBHTA-HZPDHXFCSA-N 1 2 301.386 2.568 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000591071344 398722117 /nfs/dbraw/zinc/72/21/17/398722117.db2.gz CXGWHYWCAHALEY-IXDOHACOSA-N 1 2 320.396 2.552 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000594018985 398723237 /nfs/dbraw/zinc/72/32/37/398723237.db2.gz BFQYHCLTCLTWLT-CQSZACIVSA-N 1 2 308.447 2.688 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026322 398724684 /nfs/dbraw/zinc/72/46/84/398724684.db2.gz JBGYFTBVOPKYRP-OAHLLOKOSA-N 1 2 315.373 3.000 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026322 398724685 /nfs/dbraw/zinc/72/46/85/398724685.db2.gz JBGYFTBVOPKYRP-OAHLLOKOSA-N 1 2 315.373 3.000 20 30 DFEDLO C=CCCSCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000597972669 398729915 /nfs/dbraw/zinc/72/99/15/398729915.db2.gz OQCMXQHRLNXIJQ-UHFFFAOYSA-N 1 2 303.431 2.611 20 30 DFEDLO Cc1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc[nH+]1 ZINC000594081596 398739456 /nfs/dbraw/zinc/73/94/56/398739456.db2.gz ORPDQRHKEWMLIY-UHFFFAOYSA-N 1 2 306.369 2.885 20 30 DFEDLO N#Cc1cc(Br)ccc1N1CCn2c[nH+]cc2C1 ZINC000377329289 283087601 /nfs/dbraw/zinc/08/76/01/283087601.db2.gz GLZDWYOJQTUTSN-UHFFFAOYSA-N 1 2 303.163 2.537 20 30 DFEDLO C=CCCOCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000591251491 398742299 /nfs/dbraw/zinc/74/22/99/398742299.db2.gz DKWVSKADGBVHOE-HNNXBMFYSA-N 1 2 318.417 2.611 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000373456287 283094098 /nfs/dbraw/zinc/09/40/98/283094098.db2.gz YYTABIYOUWKRFC-LYRGGWFBSA-N 1 2 317.820 2.830 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000373456287 283094099 /nfs/dbraw/zinc/09/40/99/283094099.db2.gz YYTABIYOUWKRFC-LYRGGWFBSA-N 1 2 317.820 2.830 20 30 DFEDLO Cc1csc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000594109779 398744992 /nfs/dbraw/zinc/74/49/92/398744992.db2.gz JQUQWYQGHASRPL-LBPRGKRZSA-N 1 2 315.402 2.994 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCCC[C@@H]1C#N ZINC000598087686 398751789 /nfs/dbraw/zinc/75/17/89/398751789.db2.gz LGNCATAZJXPUQJ-HUUCEWRRSA-N 1 2 310.401 2.933 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C#N)c3ccccc3n2)C1 ZINC000591632442 398777804 /nfs/dbraw/zinc/77/78/04/398777804.db2.gz UEZYQWSTDIVNDP-CJNGLKHVSA-N 1 2 319.368 2.796 20 30 DFEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594278846 398778153 /nfs/dbraw/zinc/77/81/53/398778153.db2.gz BAGBDUPENOBKFR-QWRGUYRKSA-N 1 2 316.327 2.511 20 30 DFEDLO N#CCCCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000594317182 398782754 /nfs/dbraw/zinc/78/27/54/398782754.db2.gz YJPNKSKLYPXFIR-UHFFFAOYSA-N 1 2 310.401 2.826 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000594313059 398782018 /nfs/dbraw/zinc/78/20/18/398782018.db2.gz GLKDOBYBPACORZ-CQSZACIVSA-N 1 2 322.412 2.866 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000594313059 398782021 /nfs/dbraw/zinc/78/20/21/398782021.db2.gz GLKDOBYBPACORZ-CQSZACIVSA-N 1 2 322.412 2.866 20 30 DFEDLO N#Cc1c2c(cnc1N[C@@H]1CCN(c3cccc[nH+]3)C1)CCC2 ZINC000591822468 398791980 /nfs/dbraw/zinc/79/19/80/398791980.db2.gz ZXBBAJVVCWFZFD-CQSZACIVSA-N 1 2 305.385 2.528 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(C#N)cc1 ZINC000049161931 398792177 /nfs/dbraw/zinc/79/21/77/398792177.db2.gz AZNLVPOJTMPKNI-CYBMUJFWSA-N 1 2 323.400 2.580 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000591850793 398795637 /nfs/dbraw/zinc/79/56/37/398795637.db2.gz CBSJVGFPVRCRCF-AWEZNQCLSA-N 1 2 320.458 2.929 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000075296536 398795753 /nfs/dbraw/zinc/79/57/53/398795753.db2.gz FZRIHSPIPPZYSJ-ROUUACIJSA-N 1 2 322.412 2.962 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000075296535 398795853 /nfs/dbraw/zinc/79/58/53/398795853.db2.gz FZRIHSPIPPZYSJ-MSOLQXFVSA-N 1 2 322.412 2.962 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126094872 398811540 /nfs/dbraw/zinc/81/15/40/398811540.db2.gz NZXFNBKBBZSTIN-SFHVURJKSA-N 1 2 316.445 2.793 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126094872 398811544 /nfs/dbraw/zinc/81/15/44/398811544.db2.gz NZXFNBKBBZSTIN-SFHVURJKSA-N 1 2 316.445 2.793 20 30 DFEDLO Cn1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1C#N ZINC000276740528 213078010 /nfs/dbraw/zinc/07/80/10/213078010.db2.gz IXGINORUZNDAJG-UHFFFAOYSA-N 1 2 317.396 2.641 20 30 DFEDLO Cn1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1C#N ZINC000276740528 213078012 /nfs/dbraw/zinc/07/80/12/213078012.db2.gz IXGINORUZNDAJG-UHFFFAOYSA-N 1 2 317.396 2.641 20 30 DFEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1[nH+]ccn1C ZINC000598465363 398817267 /nfs/dbraw/zinc/81/72/67/398817267.db2.gz QSXNCMCSSAAALC-LLVKDONJSA-N 1 2 314.364 2.586 20 30 DFEDLO Clc1cccc(C#CC[NH+]2CCN(c3nccs3)CC2)c1 ZINC000127461494 398820823 /nfs/dbraw/zinc/82/08/23/398820823.db2.gz POFIWVOETCYGRY-UHFFFAOYSA-N 1 2 317.845 2.970 20 30 DFEDLO Cc1cc(NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c(C#N)c[nH+]1 ZINC000594598578 398827355 /nfs/dbraw/zinc/82/73/55/398827355.db2.gz ITDRYHRTRFKKIQ-CQSZACIVSA-N 1 2 303.406 2.709 20 30 DFEDLO N#Cc1ccc2c(c1)CN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000594602361 398829330 /nfs/dbraw/zinc/82/93/30/398829330.db2.gz GKEWDMDTHCLSDD-UHFFFAOYSA-N 1 2 305.385 2.859 20 30 DFEDLO N#Cc1ccc2c(c1)CN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000594602361 398829334 /nfs/dbraw/zinc/82/93/34/398829334.db2.gz GKEWDMDTHCLSDD-UHFFFAOYSA-N 1 2 305.385 2.859 20 30 DFEDLO COCCCOC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594606730 398830322 /nfs/dbraw/zinc/83/03/22/398830322.db2.gz OMBYBXFITRRTFF-UHFFFAOYSA-N 1 2 302.418 2.725 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598589593 398836686 /nfs/dbraw/zinc/83/66/86/398836686.db2.gz GZRUIVMKZXLBIN-CHWSQXEVSA-N 1 2 306.410 2.631 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598589593 398836690 /nfs/dbraw/zinc/83/66/90/398836690.db2.gz GZRUIVMKZXLBIN-CHWSQXEVSA-N 1 2 306.410 2.631 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000598609275 398840564 /nfs/dbraw/zinc/84/05/64/398840564.db2.gz ZYEGZZRRUNOMDA-CJNGLKHVSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000598609275 398840569 /nfs/dbraw/zinc/84/05/69/398840569.db2.gz ZYEGZZRRUNOMDA-CJNGLKHVSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)CC(C)(C)C#N)CCCC1 ZINC000598596696 398838627 /nfs/dbraw/zinc/83/86/27/398838627.db2.gz SWBLMEGHBZPVOU-CYBMUJFWSA-N 1 2 310.438 2.531 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601627 398839123 /nfs/dbraw/zinc/83/91/23/398839123.db2.gz VMQGAEJBCDGCNW-NVXWUHKLSA-N 1 2 320.408 2.808 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601627 398839124 /nfs/dbraw/zinc/83/91/24/398839124.db2.gz VMQGAEJBCDGCNW-NVXWUHKLSA-N 1 2 320.408 2.808 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617494 398842219 /nfs/dbraw/zinc/84/22/19/398842219.db2.gz SNFPBVVYQNFNBN-UONOGXRCSA-N 1 2 319.453 2.756 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617494 398842221 /nfs/dbraw/zinc/84/22/21/398842221.db2.gz SNFPBVVYQNFNBN-UONOGXRCSA-N 1 2 319.453 2.756 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1C#N ZINC000594710330 398846445 /nfs/dbraw/zinc/84/64/45/398846445.db2.gz HXXXZXAUOHATNG-QWRGUYRKSA-N 1 2 300.387 2.693 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000594735587 398851697 /nfs/dbraw/zinc/85/16/97/398851697.db2.gz UWBORMNJMHEMIE-QGZVFWFLSA-N 1 2 309.369 2.927 20 30 DFEDLO CCOc1cncc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000598678676 398854335 /nfs/dbraw/zinc/85/43/35/398854335.db2.gz LUIIDERTELXMPD-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000076405551 398855195 /nfs/dbraw/zinc/85/51/95/398855195.db2.gz DWXBHIWBEFTICW-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000076405551 398855199 /nfs/dbraw/zinc/85/51/99/398855199.db2.gz DWXBHIWBEFTICW-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]2O ZINC000053144074 398863290 /nfs/dbraw/zinc/86/32/90/398863290.db2.gz PKRFOMFRWQDIRP-INIZCTEOSA-N 1 2 324.380 2.625 20 30 DFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]2O ZINC000053144074 398863293 /nfs/dbraw/zinc/86/32/93/398863293.db2.gz PKRFOMFRWQDIRP-INIZCTEOSA-N 1 2 324.380 2.625 20 30 DFEDLO N#Cc1ccc(CCC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000136196181 398873871 /nfs/dbraw/zinc/87/38/71/398873871.db2.gz RHUZAHPPPKYULG-UHFFFAOYSA-N 1 2 308.385 2.504 20 30 DFEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000054006365 398886827 /nfs/dbraw/zinc/88/68/27/398886827.db2.gz FLQCTCSDFLYWHG-MRXNPFEDSA-N 1 2 310.401 2.893 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945957 398895373 /nfs/dbraw/zinc/89/53/73/398895373.db2.gz MJSKKLBOEYTMOR-GHMZBOCLSA-N 1 2 306.207 2.894 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945957 398895374 /nfs/dbraw/zinc/89/53/74/398895374.db2.gz MJSKKLBOEYTMOR-GHMZBOCLSA-N 1 2 306.207 2.894 20 30 DFEDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000599097284 398920939 /nfs/dbraw/zinc/92/09/39/398920939.db2.gz AOQAZKMUUPQCSQ-ZDUSSCGKSA-N 1 2 309.329 2.559 20 30 DFEDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C#N)C2)c1 ZINC000599099633 398921475 /nfs/dbraw/zinc/92/14/75/398921475.db2.gz HHLFZEIJHXVZSJ-LBPRGKRZSA-N 1 2 309.329 2.559 20 30 DFEDLO CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000188734708 200297474 /nfs/dbraw/zinc/29/74/74/200297474.db2.gz CXXWLPZSUISDKC-AWEZNQCLSA-N 1 2 310.401 2.834 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC000292390870 223044099 /nfs/dbraw/zinc/04/40/99/223044099.db2.gz ZUDRBPHKYCIUGZ-LLVKDONJSA-N 1 2 320.805 2.716 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC000292390870 223044102 /nfs/dbraw/zinc/04/41/02/223044102.db2.gz ZUDRBPHKYCIUGZ-LLVKDONJSA-N 1 2 320.805 2.716 20 30 DFEDLO CN1CCN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000595465037 398944696 /nfs/dbraw/zinc/94/46/96/398944696.db2.gz MOEIFSGJMORQNU-CABCVRRESA-N 1 2 315.808 2.616 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000595467627 398945286 /nfs/dbraw/zinc/94/52/86/398945286.db2.gz SDNZPEPPRXHEOJ-HNNXBMFYSA-N 1 2 323.400 2.708 20 30 DFEDLO N#Cc1cc(Br)ccc1CN1CCn2c[nH+]cc2C1 ZINC000595489945 398949268 /nfs/dbraw/zinc/94/92/68/398949268.db2.gz KMCHYCSGZRRAIB-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO C#CCCN1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000271997926 209370716 /nfs/dbraw/zinc/37/07/16/209370716.db2.gz GMVOBAXXIYMUMC-UHFFFAOYSA-N 1 2 309.413 2.791 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000056312377 398961234 /nfs/dbraw/zinc/96/12/34/398961234.db2.gz RSSQUPVETBPMFH-SFHVURJKSA-N 1 2 317.408 2.868 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1F ZINC000056312377 398961240 /nfs/dbraw/zinc/96/12/40/398961240.db2.gz RSSQUPVETBPMFH-SFHVURJKSA-N 1 2 317.408 2.868 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000595569115 398976250 /nfs/dbraw/zinc/97/62/50/398976250.db2.gz ZZBDDWRGBOBOIP-WHOFXGATSA-N 1 2 301.390 2.970 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000595569115 398976256 /nfs/dbraw/zinc/97/62/56/398976256.db2.gz ZZBDDWRGBOBOIP-WHOFXGATSA-N 1 2 301.390 2.970 20 30 DFEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000599422963 398977097 /nfs/dbraw/zinc/97/70/97/398977097.db2.gz RIFZQLZTTNPVPV-UHFFFAOYSA-N 1 2 317.190 2.602 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ccc(C#N)nc1)CCCC2 ZINC000281488351 216334896 /nfs/dbraw/zinc/33/48/96/216334896.db2.gz NVUGIZKYZQTPFO-KRWDZBQOSA-N 1 2 307.401 2.907 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CCCO1 ZINC000281510224 216350697 /nfs/dbraw/zinc/35/06/97/216350697.db2.gz UYSNCNMZTYOUQT-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CCCO1 ZINC000281510224 216350699 /nfs/dbraw/zinc/35/06/99/216350699.db2.gz UYSNCNMZTYOUQT-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000599454427 398986770 /nfs/dbraw/zinc/98/67/70/398986770.db2.gz NHPPAQCGHXFSNZ-HOTGVXAUSA-N 1 2 322.449 2.533 20 30 DFEDLO CC[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000168568548 398996447 /nfs/dbraw/zinc/99/64/47/398996447.db2.gz COFOCYFWSWFVPV-NSHDSACASA-N 1 2 308.223 2.851 20 30 DFEDLO CC[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000168568548 398996451 /nfs/dbraw/zinc/99/64/51/398996451.db2.gz COFOCYFWSWFVPV-NSHDSACASA-N 1 2 308.223 2.851 20 30 DFEDLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)no2)cc1 ZINC000595611135 398999141 /nfs/dbraw/zinc/99/91/41/398999141.db2.gz HIRDZYXGHCIWEZ-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)no2)cc1 ZINC000595611135 398999147 /nfs/dbraw/zinc/99/91/47/398999147.db2.gz HIRDZYXGHCIWEZ-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610776 398999240 /nfs/dbraw/zinc/99/92/40/398999240.db2.gz CCBSEDHKALNLEA-INIZCTEOSA-N 1 2 310.401 2.559 20 30 DFEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610776 398999242 /nfs/dbraw/zinc/99/92/42/398999242.db2.gz CCBSEDHKALNLEA-INIZCTEOSA-N 1 2 310.401 2.559 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595613440 399001063 /nfs/dbraw/zinc/00/10/63/399001063.db2.gz CRNXCMAIXSHOOJ-ZDUSSCGKSA-N 1 2 307.357 2.734 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595613440 399001071 /nfs/dbraw/zinc/00/10/71/399001071.db2.gz CRNXCMAIXSHOOJ-ZDUSSCGKSA-N 1 2 307.357 2.734 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623987 399007342 /nfs/dbraw/zinc/00/73/42/399007342.db2.gz ZZHKQCINOREBEM-UONOGXRCSA-N 1 2 302.426 2.865 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623987 399007349 /nfs/dbraw/zinc/00/73/49/399007349.db2.gz ZZHKQCINOREBEM-UONOGXRCSA-N 1 2 302.426 2.865 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000595630371 399010280 /nfs/dbraw/zinc/01/02/80/399010280.db2.gz VVVFPDDGKRPSMD-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO COC(=O)c1csc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595633148 399011526 /nfs/dbraw/zinc/01/15/26/399011526.db2.gz MMKPJUCPUPLPMG-UHFFFAOYSA-N 1 2 315.398 2.826 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)COC ZINC000595638930 399013081 /nfs/dbraw/zinc/01/30/81/399013081.db2.gz OVZWPDOAMXJSHJ-NSHDSACASA-N 1 2 321.446 2.698 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)COC ZINC000595638930 399013084 /nfs/dbraw/zinc/01/30/84/399013084.db2.gz OVZWPDOAMXJSHJ-NSHDSACASA-N 1 2 321.446 2.698 20 30 DFEDLO Cc1cc(C)c(CNC(=O)NCC2(C#N)CCCCC2)c[nH+]1 ZINC000595646062 399017247 /nfs/dbraw/zinc/01/72/47/399017247.db2.gz IRXMENFMPYBOPA-UHFFFAOYSA-N 1 2 300.406 2.972 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583087 399020241 /nfs/dbraw/zinc/02/02/41/399020241.db2.gz QHEZBJYQUUMWNV-DGCLKSJQSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583087 399020251 /nfs/dbraw/zinc/02/02/51/399020251.db2.gz QHEZBJYQUUMWNV-DGCLKSJQSA-N 1 2 321.446 2.814 20 30 DFEDLO COC(=O)c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3C#N)nc2c1 ZINC000595691070 399036904 /nfs/dbraw/zinc/03/69/04/399036904.db2.gz TWGMMWGUKPJQRL-OLZOCXBDSA-N 1 2 312.373 2.521 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595692447 399037409 /nfs/dbraw/zinc/03/74/09/399037409.db2.gz OEFWPAXZFQOSRS-UONOGXRCSA-N 1 2 301.390 2.614 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000595702493 399046247 /nfs/dbraw/zinc/04/62/47/399046247.db2.gz KLNABEDEEIIYHT-RYUDHWBXSA-N 1 2 318.446 2.632 20 30 DFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595700517 399044246 /nfs/dbraw/zinc/04/42/46/399044246.db2.gz NQFFUWZWZMCWHE-OCCSQVGLSA-N 1 2 316.361 2.514 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000595702410 399044475 /nfs/dbraw/zinc/04/44/75/399044475.db2.gz KAYCKDHWEQWVAP-JQFCIGGWSA-N 1 2 315.392 2.817 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701817 399044647 /nfs/dbraw/zinc/04/46/47/399044647.db2.gz GBPYXAPCLZNYHB-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701817 399044650 /nfs/dbraw/zinc/04/46/50/399044650.db2.gz GBPYXAPCLZNYHB-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000595704049 399045979 /nfs/dbraw/zinc/04/59/79/399045979.db2.gz PUNJNZAMCFLTKT-JZXOWHBKSA-N 1 2 324.428 2.994 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000595704051 399046078 /nfs/dbraw/zinc/04/60/78/399046078.db2.gz PUNJNZAMCFLTKT-XYJFISCASA-N 1 2 324.428 2.994 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000595704544 399046144 /nfs/dbraw/zinc/04/61/44/399046144.db2.gz SMJSLSGEOSGYED-HEHGZKQESA-N 1 2 301.390 2.694 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)sc1C ZINC000595704053 399046150 /nfs/dbraw/zinc/04/61/50/399046150.db2.gz PUZLAHIDVYHUDD-DRZSPHRISA-N 1 2 306.435 2.759 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)sc1C ZINC000595704054 399046177 /nfs/dbraw/zinc/04/61/77/399046177.db2.gz PUZLAHIDVYHUDD-UHTWSYAYSA-N 1 2 306.435 2.759 20 30 DFEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599659700 399050686 /nfs/dbraw/zinc/05/06/86/399050686.db2.gz LMXUMDLGXPKNQH-MRXNPFEDSA-N 1 2 321.428 2.729 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000595726287 399056521 /nfs/dbraw/zinc/05/65/21/399056521.db2.gz UIIFPEYZAHBPSA-UHFFFAOYSA-N 1 2 308.451 2.608 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000599677409 399058697 /nfs/dbraw/zinc/05/86/97/399058697.db2.gz ZEIQZUBKZCWCCE-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccco3)o1)C2 ZINC000599677409 399058701 /nfs/dbraw/zinc/05/87/01/399058701.db2.gz ZEIQZUBKZCWCCE-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(C#N)CC2)c(C)c1 ZINC000057874660 399067051 /nfs/dbraw/zinc/06/70/51/399067051.db2.gz ZVLKOJVEPUSZGS-UHFFFAOYSA-N 1 2 313.445 2.506 20 30 DFEDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595765854 399075775 /nfs/dbraw/zinc/07/57/75/399075775.db2.gz KKTTXMVJNBWGQV-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595765854 399075780 /nfs/dbraw/zinc/07/57/80/399075780.db2.gz KKTTXMVJNBWGQV-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000618329949 399082180 /nfs/dbraw/zinc/08/21/80/399082180.db2.gz MRGMQTBCYNMIER-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000618329949 399082182 /nfs/dbraw/zinc/08/21/82/399082182.db2.gz MRGMQTBCYNMIER-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nnc2n1CCCCC2 ZINC000595800969 399089567 /nfs/dbraw/zinc/08/95/67/399089567.db2.gz UYLUDKAATNPJDX-OAHLLOKOSA-N 1 2 310.405 2.512 20 30 DFEDLO C=C(C)[C@H](CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1)OCC ZINC000283055729 335000397 /nfs/dbraw/zinc/00/03/97/335000397.db2.gz QOWGJFPVVZRSPW-HNNXBMFYSA-N 1 2 316.405 2.939 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595815132 399095262 /nfs/dbraw/zinc/09/52/62/399095262.db2.gz LPZFPQZHSIKYTC-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595815132 399095269 /nfs/dbraw/zinc/09/52/69/399095269.db2.gz LPZFPQZHSIKYTC-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C2CC2)cc1 ZINC000595837141 399106349 /nfs/dbraw/zinc/10/63/49/399106349.db2.gz DSSUAYVQXJSMCJ-LJQANCHMSA-N 1 2 311.429 2.722 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C2CC2)cc1 ZINC000595837141 399106358 /nfs/dbraw/zinc/10/63/58/399106358.db2.gz DSSUAYVQXJSMCJ-LJQANCHMSA-N 1 2 311.429 2.722 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000595833428 399105781 /nfs/dbraw/zinc/10/57/81/399105781.db2.gz ITEGFUOCVWNZPN-UHFFFAOYSA-N 1 2 307.191 2.543 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000595833428 399105785 /nfs/dbraw/zinc/10/57/85/399105785.db2.gz ITEGFUOCVWNZPN-UHFFFAOYSA-N 1 2 307.191 2.543 20 30 DFEDLO CCN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000595838522 399106485 /nfs/dbraw/zinc/10/64/85/399106485.db2.gz VXCSKQWWZTUIRN-KSSFIOAISA-N 1 2 317.408 2.971 20 30 DFEDLO CCN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000595838522 399106492 /nfs/dbraw/zinc/10/64/92/399106492.db2.gz VXCSKQWWZTUIRN-KSSFIOAISA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841964 399109804 /nfs/dbraw/zinc/10/98/04/399109804.db2.gz PQUNPJCKRUERQC-MZMPZRCHSA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841964 399109811 /nfs/dbraw/zinc/10/98/11/399109811.db2.gz PQUNPJCKRUERQC-MZMPZRCHSA-N 1 2 315.392 2.723 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1=CCSC1 ZINC000595887219 399122716 /nfs/dbraw/zinc/12/27/16/399122716.db2.gz BSTJXDSFKHIDHL-UHFFFAOYSA-N 1 2 312.398 2.713 20 30 DFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1=CCSC1 ZINC000595887219 399122722 /nfs/dbraw/zinc/12/27/22/399122722.db2.gz BSTJXDSFKHIDHL-UHFFFAOYSA-N 1 2 312.398 2.713 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180496611 399134241 /nfs/dbraw/zinc/13/42/41/399134241.db2.gz MWYJODYPKLMIDV-UHFFFAOYSA-N 1 2 314.351 2.960 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180496611 399134246 /nfs/dbraw/zinc/13/42/46/399134246.db2.gz MWYJODYPKLMIDV-UHFFFAOYSA-N 1 2 314.351 2.960 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000600089365 399133203 /nfs/dbraw/zinc/13/32/03/399133203.db2.gz AJRGSLHKAYEQKX-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000600751836 399135160 /nfs/dbraw/zinc/13/51/60/399135160.db2.gz AUVRCTOOQMQRRO-UHFFFAOYSA-N 1 2 324.421 2.663 20 30 DFEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)c(F)c1 ZINC000274907286 212025793 /nfs/dbraw/zinc/02/57/93/212025793.db2.gz VESRQVFNRXYUJV-OAHLLOKOSA-N 1 2 305.332 2.693 20 30 DFEDLO Cc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000600111086 399139145 /nfs/dbraw/zinc/13/91/45/399139145.db2.gz KOHHWFCETWUYFG-UHFFFAOYSA-N 1 2 309.417 2.611 20 30 DFEDLO Cc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000600111086 399139148 /nfs/dbraw/zinc/13/91/48/399139148.db2.gz KOHHWFCETWUYFG-UHFFFAOYSA-N 1 2 309.417 2.611 20 30 DFEDLO Cc1[nH]c(CN2CCCN(c3ccccc3C#N)CC2)[nH+]c1C ZINC000600111086 399139152 /nfs/dbraw/zinc/13/91/52/399139152.db2.gz KOHHWFCETWUYFG-UHFFFAOYSA-N 1 2 309.417 2.611 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000600840227 399158579 /nfs/dbraw/zinc/15/85/79/399158579.db2.gz ACKCKFFVZCYTMM-FGTMMUONSA-N 1 2 320.396 2.549 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185200314 399158942 /nfs/dbraw/zinc/15/89/42/399158942.db2.gz IYLKTYVOQALRKO-QWHCGFSZSA-N 1 2 322.453 2.831 20 30 DFEDLO C#CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000264958065 204303093 /nfs/dbraw/zinc/30/30/93/204303093.db2.gz NACHISUKDRGXLB-LBPRGKRZSA-N 1 2 306.435 2.520 20 30 DFEDLO C#CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000264958065 204303094 /nfs/dbraw/zinc/30/30/94/204303094.db2.gz NACHISUKDRGXLB-LBPRGKRZSA-N 1 2 306.435 2.520 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000596070095 399162459 /nfs/dbraw/zinc/16/24/59/399162459.db2.gz MWTZYVUJPACGBP-GDBMZVCRSA-N 1 2 305.385 2.893 20 30 DFEDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596073023 399163345 /nfs/dbraw/zinc/16/33/45/399163345.db2.gz CGNWUGMQPOSKGE-UHFFFAOYSA-N 1 2 311.345 2.848 20 30 DFEDLO C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284763972 335016873 /nfs/dbraw/zinc/01/68/73/335016873.db2.gz MGVONQZLDTVHIQ-AWEZNQCLSA-N 1 2 320.437 2.590 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000342015825 284309668 /nfs/dbraw/zinc/30/96/68/284309668.db2.gz CMDCEMBWGPQDSY-UHFFFAOYSA-N 1 2 308.366 2.940 20 30 DFEDLO C=C(C)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284842652 335017862 /nfs/dbraw/zinc/01/78/62/335017862.db2.gz RACOVTOEKGFZJU-AWEZNQCLSA-N 1 2 320.437 2.590 20 30 DFEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000600945131 399183201 /nfs/dbraw/zinc/18/32/01/399183201.db2.gz IKYCCNHSEBOGJL-UHFFFAOYSA-N 1 2 309.413 2.559 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3c(Cl)cccc3C#N)CC2)on1 ZINC000266169329 205156331 /nfs/dbraw/zinc/15/63/31/205156331.db2.gz QMNCRWSJWFXGPV-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000614268033 399193405 /nfs/dbraw/zinc/19/34/05/399193405.db2.gz DJZLCFIVLMPICP-NHYWBVRUSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000614268033 399193408 /nfs/dbraw/zinc/19/34/08/399193408.db2.gz DJZLCFIVLMPICP-NHYWBVRUSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1cc(C#N)nc(NCCCc2[nH+]c3ccccc3n2C)n1 ZINC000288355284 220103810 /nfs/dbraw/zinc/10/38/10/220103810.db2.gz KKQOAFYKAGFBNA-UHFFFAOYSA-N 1 2 306.373 2.588 20 30 DFEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC2(CC2)C1 ZINC000601000320 399200247 /nfs/dbraw/zinc/20/02/47/399200247.db2.gz QRVXUAYPVQZNFZ-UHFFFAOYSA-N 1 2 324.428 2.772 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCCO1 ZINC000266504138 205394357 /nfs/dbraw/zinc/39/43/57/205394357.db2.gz BEHVFPZVIHTRFF-OAHLLOKOSA-N 1 2 312.373 2.609 20 30 DFEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCCO1 ZINC000266504138 205394362 /nfs/dbraw/zinc/39/43/62/205394362.db2.gz BEHVFPZVIHTRFF-OAHLLOKOSA-N 1 2 312.373 2.609 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000064442631 399223938 /nfs/dbraw/zinc/22/39/38/399223938.db2.gz AYTAIIHHPCRQMT-UHFFFAOYSA-N 1 2 317.241 2.836 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285150209 335021349 /nfs/dbraw/zinc/02/13/49/335021349.db2.gz UDCLDOPQXCJFLD-CABCVRRESA-N 1 2 320.437 2.542 20 30 DFEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000614407723 399227827 /nfs/dbraw/zinc/22/78/27/399227827.db2.gz XXICSMNHDYJEND-INIZCTEOSA-N 1 2 302.324 2.968 20 30 DFEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2[nH+]ccn2c1 ZINC000618787079 399235959 /nfs/dbraw/zinc/23/59/59/399235959.db2.gz DJYDKFCTVHCRAK-INIZCTEOSA-N 1 2 302.337 2.623 20 30 DFEDLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000618904972 399255408 /nfs/dbraw/zinc/25/54/08/399255408.db2.gz PNDDQZLURZXQES-KRWDZBQOSA-N 1 2 310.401 2.674 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601526588 399296549 /nfs/dbraw/zinc/29/65/49/399296549.db2.gz ANEPEAXZMCRJBP-UHFFFAOYSA-N 1 2 314.433 2.768 20 30 DFEDLO CCc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000609146044 399306599 /nfs/dbraw/zinc/30/65/99/399306599.db2.gz CDINIIWSSWHOIH-UHFFFAOYSA-N 1 2 312.373 2.547 20 30 DFEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1F ZINC000609486227 399320361 /nfs/dbraw/zinc/32/03/61/399320361.db2.gz GFBHCOGCYBWHPJ-MRXNPFEDSA-N 1 2 305.397 2.500 20 30 DFEDLO C[C@@H](c1cccs1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609585692 399325281 /nfs/dbraw/zinc/32/52/81/399325281.db2.gz XUIDTZILKSIHOW-NSHDSACASA-N 1 2 312.402 2.999 20 30 DFEDLO C=CCN1CCC([NH2+]C2C3CCC2Cc2ccccc2C3)C1=O ZINC000286686751 335039419 /nfs/dbraw/zinc/03/94/19/335039419.db2.gz ANHNNEUSVCWVCJ-BZSNNMDCSA-N 1 2 310.441 2.557 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)NCCCCC#N ZINC000610101300 399342337 /nfs/dbraw/zinc/34/23/37/399342337.db2.gz XJJHDGIRDWVEIO-UHFFFAOYSA-N 1 2 313.405 2.592 20 30 DFEDLO C[N@H+](CCC(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000104678021 194023966 /nfs/dbraw/zinc/02/39/66/194023966.db2.gz XRDCQDVHHZMWSS-CYBMUJFWSA-N 1 2 311.307 2.548 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000104678021 194023968 /nfs/dbraw/zinc/02/39/68/194023968.db2.gz XRDCQDVHHZMWSS-CYBMUJFWSA-N 1 2 311.307 2.548 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000610342551 399358175 /nfs/dbraw/zinc/35/81/75/399358175.db2.gz FFAYKTIJMKMOEL-BXUZGUMPSA-N 1 2 323.343 2.675 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610410469 399364956 /nfs/dbraw/zinc/36/49/56/399364956.db2.gz UGMZNDSUBZPBLV-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610410469 399364958 /nfs/dbraw/zinc/36/49/58/399364958.db2.gz UGMZNDSUBZPBLV-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610453156 399369199 /nfs/dbraw/zinc/36/91/99/399369199.db2.gz WXCWDLUCUMEPKR-CZUORRHYSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610453156 399369200 /nfs/dbraw/zinc/36/92/00/399369200.db2.gz WXCWDLUCUMEPKR-CZUORRHYSA-N 1 2 316.401 2.662 20 30 DFEDLO N#Cc1ccnc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c1 ZINC000285013074 218255701 /nfs/dbraw/zinc/25/57/01/218255701.db2.gz NYGBMDZIPWPWKY-INIZCTEOSA-N 1 2 321.384 2.532 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505479 399375307 /nfs/dbraw/zinc/37/53/07/399375307.db2.gz MEZDPAGABYHZJX-NVXWUHKLSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505479 399375309 /nfs/dbraw/zinc/37/53/09/399375309.db2.gz MEZDPAGABYHZJX-NVXWUHKLSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1ccc(C#N)cc1)C2 ZINC000106371024 194203243 /nfs/dbraw/zinc/20/32/43/194203243.db2.gz WUCHJBILOVKZHX-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000106371024 194203245 /nfs/dbraw/zinc/20/32/45/194203245.db2.gz WUCHJBILOVKZHX-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000106371024 194203247 /nfs/dbraw/zinc/20/32/47/194203247.db2.gz WUCHJBILOVKZHX-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000619717070 399381414 /nfs/dbraw/zinc/38/14/14/399381414.db2.gz RAOMGYHDCUAEDP-BRWVUGGUSA-N 1 2 303.402 2.814 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000619717070 399381415 /nfs/dbraw/zinc/38/14/15/399381415.db2.gz RAOMGYHDCUAEDP-BRWVUGGUSA-N 1 2 303.402 2.814 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000109757975 194283236 /nfs/dbraw/zinc/28/32/36/194283236.db2.gz QILJAKHJFLLLDB-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000109757975 194283238 /nfs/dbraw/zinc/28/32/38/194283238.db2.gz QILJAKHJFLLLDB-STQMWFEESA-N 1 2 302.271 2.585 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815051 194289811 /nfs/dbraw/zinc/28/98/11/194289811.db2.gz XKOMDQRDEMDBEK-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815051 194289813 /nfs/dbraw/zinc/28/98/13/194289813.db2.gz XKOMDQRDEMDBEK-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)c(F)c1 ZINC000110469449 194332413 /nfs/dbraw/zinc/33/24/13/194332413.db2.gz HIPACKNRNKBEHU-UHFFFAOYSA-N 1 2 323.375 2.691 20 30 DFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602104210 399395612 /nfs/dbraw/zinc/39/56/12/399395612.db2.gz ZGOSEQLQIJWXLZ-ACJLOTCBSA-N 1 2 324.384 2.780 20 30 DFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C/Cl)CC1 ZINC000268941162 207104822 /nfs/dbraw/zinc/10/48/22/207104822.db2.gz BQGQTTMLXDUUHU-DUXPYHPUSA-N 1 2 318.764 2.681 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCCC(F)(F)C1 ZINC000610856249 399412450 /nfs/dbraw/zinc/41/24/50/399412450.db2.gz KSOGCPJXEXMQMM-SNVBAGLBSA-N 1 2 306.320 2.730 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1C1CC1 ZINC000610931064 399419011 /nfs/dbraw/zinc/41/90/11/399419011.db2.gz WPYDWQBLUQHFEP-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccccc1C1CC1 ZINC000610931064 399419014 /nfs/dbraw/zinc/41/90/14/399419014.db2.gz WPYDWQBLUQHFEP-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1C1CC1 ZINC000610931064 399419017 /nfs/dbraw/zinc/41/90/17/399419017.db2.gz WPYDWQBLUQHFEP-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO C[C@@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000610958748 399421955 /nfs/dbraw/zinc/42/19/55/399421955.db2.gz KGZUFVAUNDMWGB-CJNGLKHVSA-N 1 2 323.400 2.693 20 30 DFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)CCCn1cc[nH+]c1 ZINC000602385480 399433472 /nfs/dbraw/zinc/43/34/72/399433472.db2.gz AFLNZXAIMZSRCT-UHFFFAOYSA-N 1 2 300.337 2.668 20 30 DFEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000611093814 399433493 /nfs/dbraw/zinc/43/34/93/399433493.db2.gz GCNCAZDQONRBAH-UHFFFAOYSA-N 1 2 324.211 2.785 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153790 399439592 /nfs/dbraw/zinc/43/95/92/399439592.db2.gz RCVQVFFTTLGAJD-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153790 399439595 /nfs/dbraw/zinc/43/95/95/399439595.db2.gz RCVQVFFTTLGAJD-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)cc1Cl ZINC000611180435 399443011 /nfs/dbraw/zinc/44/30/11/399443011.db2.gz XOEFWBVIFBYUKI-SNVBAGLBSA-N 1 2 313.735 2.737 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)cc1Cl ZINC000611180435 399443013 /nfs/dbraw/zinc/44/30/13/399443013.db2.gz XOEFWBVIFBYUKI-SNVBAGLBSA-N 1 2 313.735 2.737 20 30 DFEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(CCC#N)CC1 ZINC000611175659 399441598 /nfs/dbraw/zinc/44/15/98/399441598.db2.gz CYUZMOXRPWOHMF-HNNXBMFYSA-N 1 2 310.401 2.934 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000602494377 399460477 /nfs/dbraw/zinc/46/04/77/399460477.db2.gz NWAZSNZISUSKRE-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000602494377 399460480 /nfs/dbraw/zinc/46/04/80/399460480.db2.gz NWAZSNZISUSKRE-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000602492729 399460533 /nfs/dbraw/zinc/46/05/33/399460533.db2.gz WTUBXRUHKXKGHL-CQSZACIVSA-N 1 2 311.389 2.778 20 30 DFEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602476978 399455960 /nfs/dbraw/zinc/45/59/60/399455960.db2.gz YTUOKKBGTZGGOH-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602476978 399455962 /nfs/dbraw/zinc/45/59/62/399455962.db2.gz YTUOKKBGTZGGOH-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000602484828 399458669 /nfs/dbraw/zinc/45/86/69/399458669.db2.gz IVVKLNAPPLEHGO-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000602484828 399458675 /nfs/dbraw/zinc/45/86/75/399458675.db2.gz IVVKLNAPPLEHGO-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3CCC#N)CC12CCC2 ZINC000611298688 399459423 /nfs/dbraw/zinc/45/94/23/399459423.db2.gz MSCAQWJJXOXYJN-ZDUSSCGKSA-N 1 2 310.405 2.756 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000611386804 399469009 /nfs/dbraw/zinc/46/90/09/399469009.db2.gz AEIBYVQLVQNSBF-JTQLQIEISA-N 1 2 300.387 2.824 20 30 DFEDLO N#Cc1c(F)cccc1N1CCN(c2cc[nH+]cc2F)CC1 ZINC000611399448 399470763 /nfs/dbraw/zinc/47/07/63/399470763.db2.gz PTOKKZOKABRTCH-UHFFFAOYSA-N 1 2 300.312 2.558 20 30 DFEDLO COCC1([N@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC000611500973 399482509 /nfs/dbraw/zinc/48/25/09/399482509.db2.gz BOYFRAJBITXTES-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO COCC1([N@@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC000611500973 399482511 /nfs/dbraw/zinc/48/25/11/399482511.db2.gz BOYFRAJBITXTES-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@H]1COCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000611500769 399482602 /nfs/dbraw/zinc/48/26/02/399482602.db2.gz ZAWPHTFPURUOEN-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@H]1COCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000611500769 399482604 /nfs/dbraw/zinc/48/26/04/399482604.db2.gz ZAWPHTFPURUOEN-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602608177 399489570 /nfs/dbraw/zinc/48/95/70/399489570.db2.gz QKOUJAJKMPYRAE-LURJTMIESA-N 1 2 304.169 2.668 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(F)c1 ZINC000602614825 399491045 /nfs/dbraw/zinc/49/10/45/399491045.db2.gz FFYFYINFMHGVDH-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578174 399495502 /nfs/dbraw/zinc/49/55/02/399495502.db2.gz NVPRUFOWCOWFHI-SMDDNHRTSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578174 399495505 /nfs/dbraw/zinc/49/55/05/399495505.db2.gz NVPRUFOWCOWFHI-SMDDNHRTSA-N 1 2 323.343 2.589 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000616744423 399509577 /nfs/dbraw/zinc/50/95/77/399509577.db2.gz WEGAVMWRMSBWLM-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602671269 399513354 /nfs/dbraw/zinc/51/33/54/399513354.db2.gz FBIBUIANTDFNLF-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602671269 399513360 /nfs/dbraw/zinc/51/33/60/399513360.db2.gz FBIBUIANTDFNLF-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO CC(C)([NH2+]Cc1cccc(C#N)n1)c1cc(C(F)(F)F)on1 ZINC000602670737 399513842 /nfs/dbraw/zinc/51/38/42/399513842.db2.gz CIOVWNOJHLSEDR-UHFFFAOYSA-N 1 2 310.279 2.985 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(F)c1 ZINC000602671320 399513921 /nfs/dbraw/zinc/51/39/21/399513921.db2.gz GLHINGFIGWOKCB-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000120125531 195102094 /nfs/dbraw/zinc/10/20/94/195102094.db2.gz QEXOBZPXVPYFHD-UHFFFAOYSA-N 1 2 317.352 2.999 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C#N)cc1Cl)CC2 ZINC000611820311 399531395 /nfs/dbraw/zinc/53/13/95/399531395.db2.gz PJYWFSSTXZKFGG-UHFFFAOYSA-N 1 2 315.764 2.764 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602706775 399531214 /nfs/dbraw/zinc/53/12/14/399531214.db2.gz MBAXGJSWMKZJKT-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602706775 399531217 /nfs/dbraw/zinc/53/12/17/399531217.db2.gz MBAXGJSWMKZJKT-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270230598 208294423 /nfs/dbraw/zinc/29/44/23/208294423.db2.gz UIUCRGALCOEIAQ-UHFFFAOYSA-N 1 2 309.291 2.691 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270230598 208294429 /nfs/dbraw/zinc/29/44/29/208294429.db2.gz UIUCRGALCOEIAQ-UHFFFAOYSA-N 1 2 309.291 2.691 20 30 DFEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624063000 399540358 /nfs/dbraw/zinc/54/03/58/399540358.db2.gz DHZQHLYWQWZEIC-YOEHRIQHSA-N 1 2 323.458 2.818 20 30 DFEDLO C=CCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624063000 399540365 /nfs/dbraw/zinc/54/03/65/399540365.db2.gz DHZQHLYWQWZEIC-YOEHRIQHSA-N 1 2 323.458 2.818 20 30 DFEDLO Cc1nnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)c1C ZINC000611932080 399545935 /nfs/dbraw/zinc/54/59/35/399545935.db2.gz DNVWEJJGWLZOCV-UHFFFAOYSA-N 1 2 324.432 2.858 20 30 DFEDLO C=C(C)C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(=O)OC ZINC000602733333 399546949 /nfs/dbraw/zinc/54/69/49/399546949.db2.gz HGVHPKGPJIULFB-INIZCTEOSA-N 1 2 303.402 2.652 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000602748423 399554504 /nfs/dbraw/zinc/55/45/04/399554504.db2.gz MOTSGJFSJPTFKF-UHFFFAOYSA-N 1 2 324.403 2.919 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602759067 399558331 /nfs/dbraw/zinc/55/83/31/399558331.db2.gz ORPNHJNETYRRPI-ZDUSSCGKSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602759067 399558333 /nfs/dbraw/zinc/55/83/33/399558333.db2.gz ORPNHJNETYRRPI-ZDUSSCGKSA-N 1 2 306.431 2.777 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286504605 219024458 /nfs/dbraw/zinc/02/44/58/219024458.db2.gz WHJJYMFFRSBHIQ-AWEZNQCLSA-N 1 2 324.359 2.866 20 30 DFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602784055 399571504 /nfs/dbraw/zinc/57/15/04/399571504.db2.gz LESMQJBVECHRAF-UHFFFAOYSA-N 1 2 300.402 2.788 20 30 DFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602784055 399571513 /nfs/dbraw/zinc/57/15/13/399571513.db2.gz LESMQJBVECHRAF-UHFFFAOYSA-N 1 2 300.402 2.788 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000625531201 399579935 /nfs/dbraw/zinc/57/99/35/399579935.db2.gz ZYMDJXKBSCPROH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)[C@H](C)COC ZINC000625531201 399579939 /nfs/dbraw/zinc/57/99/39/399579939.db2.gz ZYMDJXKBSCPROH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000625531202 399579747 /nfs/dbraw/zinc/57/97/47/399579747.db2.gz ZYMDJXKBSCPROH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000625531202 399579751 /nfs/dbraw/zinc/57/97/51/399579751.db2.gz ZYMDJXKBSCPROH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000157402559 197184715 /nfs/dbraw/zinc/18/47/15/197184715.db2.gz KJLYBOGOVGGZID-UHFFFAOYSA-N 1 2 313.426 2.951 20 30 DFEDLO C=C(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000157358936 197181641 /nfs/dbraw/zinc/18/16/41/197181641.db2.gz WVDCMGKFZSTROR-UHFFFAOYSA-N 1 2 300.362 2.660 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000617040251 399585818 /nfs/dbraw/zinc/58/58/18/399585818.db2.gz RLVRMAATGVQBHC-KGLIPLIRSA-N 1 2 311.389 2.527 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000157065835 197159136 /nfs/dbraw/zinc/15/91/36/197159136.db2.gz KWKAKVYDFPAGTO-MRXNPFEDSA-N 1 2 318.392 2.776 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000157065835 197159138 /nfs/dbraw/zinc/15/91/38/197159138.db2.gz KWKAKVYDFPAGTO-MRXNPFEDSA-N 1 2 318.392 2.776 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612160631 399594471 /nfs/dbraw/zinc/59/44/71/399594471.db2.gz KGAQQJBHRVYTCN-CXAGYDPISA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612160631 399594474 /nfs/dbraw/zinc/59/44/74/399594474.db2.gz KGAQQJBHRVYTCN-CXAGYDPISA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@]1(C#N)CCC[NH+](C/C=C\C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163094 399595310 /nfs/dbraw/zinc/59/53/10/399595310.db2.gz OANRFNSLVSRCRL-GRFNRIFCSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163094 399595315 /nfs/dbraw/zinc/59/53/15/399595315.db2.gz OANRFNSLVSRCRL-GRFNRIFCSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCCN(C/C=C\C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163094 399595323 /nfs/dbraw/zinc/59/53/23/399595323.db2.gz OANRFNSLVSRCRL-GRFNRIFCSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCCN(C/C=C\C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163094 399595329 /nfs/dbraw/zinc/59/53/29/399595329.db2.gz OANRFNSLVSRCRL-GRFNRIFCSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000612162136 399595769 /nfs/dbraw/zinc/59/57/69/399595769.db2.gz KYAJXRVCBWTNBG-IBGZPJMESA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000612162136 399595772 /nfs/dbraw/zinc/59/57/72/399595772.db2.gz KYAJXRVCBWTNBG-IBGZPJMESA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163073 399595914 /nfs/dbraw/zinc/59/59/14/399595914.db2.gz NXJCAPCQCOJNTG-CXAGYDPISA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163073 399595918 /nfs/dbraw/zinc/59/59/18/399595918.db2.gz NXJCAPCQCOJNTG-CXAGYDPISA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@@H](C)N1CC#N ZINC000602848804 399600590 /nfs/dbraw/zinc/60/05/90/399600590.db2.gz ILPAFDVZQCBCJK-HUUCEWRRSA-N 1 2 301.821 2.610 20 30 DFEDLO COc1ccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602854002 399603043 /nfs/dbraw/zinc/60/30/43/399603043.db2.gz NHZZLJSNRVXXCQ-STQMWFEESA-N 1 2 307.825 2.767 20 30 DFEDLO CC#CCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000155393578 197050340 /nfs/dbraw/zinc/05/03/40/197050340.db2.gz YQWBOJRJQFJERC-UHFFFAOYSA-N 1 2 308.784 2.650 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H](C)N1CC#N ZINC000602859194 399606728 /nfs/dbraw/zinc/60/67/28/399606728.db2.gz XDPZSACFZGEOLX-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H](C)N1CC#N ZINC000602859194 399606733 /nfs/dbraw/zinc/60/67/33/399606733.db2.gz XDPZSACFZGEOLX-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)CC#N)cs2)c1 ZINC000602861103 399606073 /nfs/dbraw/zinc/60/60/73/399606073.db2.gz FVLNBQIVGKFZEO-LLVKDONJSA-N 1 2 315.398 2.988 20 30 DFEDLO C[C@@H](CC#N)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000602870061 399609957 /nfs/dbraw/zinc/60/99/57/399609957.db2.gz KKSWHIHVCGVBNQ-VIFPVBQESA-N 1 2 307.195 2.728 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000602879899 399613208 /nfs/dbraw/zinc/61/32/08/399613208.db2.gz HCOFDZHFXCGZPF-OAHLLOKOSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000602879899 399613212 /nfs/dbraw/zinc/61/32/12/399613212.db2.gz HCOFDZHFXCGZPF-OAHLLOKOSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120795828 195239780 /nfs/dbraw/zinc/23/97/80/195239780.db2.gz OQLJVDZQCPBFLD-GOSISDBHSA-N 1 2 321.380 2.566 20 30 DFEDLO Cc1noc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602894948 399618291 /nfs/dbraw/zinc/61/82/91/399618291.db2.gz FASIVAKSKZIIOS-GFCCVEGCSA-N 1 2 311.389 2.887 20 30 DFEDLO C=CCN(C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC000271570858 209021348 /nfs/dbraw/zinc/02/13/48/209021348.db2.gz PTMHTTOSDMFRPL-HNNXBMFYSA-N 1 2 323.387 2.928 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602901998 399620983 /nfs/dbraw/zinc/62/09/83/399620983.db2.gz UHNZFYWFCUPEHW-GFCCVEGCSA-N 1 2 310.405 2.622 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(c3ccc(F)cn3)CC2)n1 ZINC000602905894 399622001 /nfs/dbraw/zinc/62/20/01/399622001.db2.gz VJNPMLZXDGBZLT-UHFFFAOYSA-N 1 2 302.378 2.928 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289846893 221266080 /nfs/dbraw/zinc/26/60/80/221266080.db2.gz PKOLVWFCKZUIGX-VXGBXAGGSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289846893 221266081 /nfs/dbraw/zinc/26/60/81/221266081.db2.gz PKOLVWFCKZUIGX-VXGBXAGGSA-N 1 2 307.344 2.862 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(C)s2)c1C#N ZINC000602954485 399638252 /nfs/dbraw/zinc/63/82/52/399638252.db2.gz GFRDSWRGDWWGAY-SNVBAGLBSA-N 1 2 315.398 2.961 20 30 DFEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[C@H]1C#N ZINC000602978868 399647047 /nfs/dbraw/zinc/64/70/47/399647047.db2.gz XQUJUEHKCJCEKB-XSXXDBAGSA-N 1 2 315.461 2.695 20 30 DFEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[C@H]1C#N ZINC000602978868 399647052 /nfs/dbraw/zinc/64/70/52/399647052.db2.gz XQUJUEHKCJCEKB-XSXXDBAGSA-N 1 2 315.461 2.695 20 30 DFEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[C@H]1C#N ZINC000602978867 399647213 /nfs/dbraw/zinc/64/72/13/399647213.db2.gz XQUJUEHKCJCEKB-NLHLPJCGSA-N 1 2 315.461 2.695 20 30 DFEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[C@H]1C#N ZINC000602978867 399647216 /nfs/dbraw/zinc/64/72/16/399647216.db2.gz XQUJUEHKCJCEKB-NLHLPJCGSA-N 1 2 315.461 2.695 20 30 DFEDLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979318 399647238 /nfs/dbraw/zinc/64/72/38/399647238.db2.gz BWRIKGTWZLPVOU-YQVWRLOYSA-N 1 2 311.429 2.878 20 30 DFEDLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979318 399647241 /nfs/dbraw/zinc/64/72/41/399647241.db2.gz BWRIKGTWZLPVOU-YQVWRLOYSA-N 1 2 311.429 2.878 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602982076 399649048 /nfs/dbraw/zinc/64/90/48/399649048.db2.gz NFCDQVSQELEGFO-DOTOQJQBSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602982076 399649055 /nfs/dbraw/zinc/64/90/55/399649055.db2.gz NFCDQVSQELEGFO-DOTOQJQBSA-N 1 2 316.449 2.678 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986874 399650576 /nfs/dbraw/zinc/65/05/76/399650576.db2.gz RUYUYESTNHLTSZ-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986874 399650580 /nfs/dbraw/zinc/65/05/80/399650580.db2.gz RUYUYESTNHLTSZ-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000624469952 399682576 /nfs/dbraw/zinc/68/25/76/399682576.db2.gz GYMIOEUECUXIQH-UHFFFAOYSA-N 1 2 302.422 2.516 20 30 DFEDLO C=CCCC[C@@H](C)n1cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000603266327 399726401 /nfs/dbraw/zinc/72/64/01/399726401.db2.gz YEENXUHWXOHCNN-CABCVRRESA-N 1 2 320.437 2.580 20 30 DFEDLO C=CCCC[C@@H](C)n1cc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000603266327 399726405 /nfs/dbraw/zinc/72/64/05/399726405.db2.gz YEENXUHWXOHCNN-CABCVRRESA-N 1 2 320.437 2.580 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000289658961 335062364 /nfs/dbraw/zinc/06/23/64/335062364.db2.gz NBPXYWDECBLFTR-OAHLLOKOSA-N 1 2 309.356 2.945 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000289658961 335062365 /nfs/dbraw/zinc/06/23/65/335062365.db2.gz NBPXYWDECBLFTR-OAHLLOKOSA-N 1 2 309.356 2.945 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c(C#N)c1C ZINC000124740974 195673754 /nfs/dbraw/zinc/67/37/54/195673754.db2.gz OKPHPVZBHBGILC-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c(C#N)c1C ZINC000124740974 195673755 /nfs/dbraw/zinc/67/37/55/195673755.db2.gz OKPHPVZBHBGILC-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO C=CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)COC ZINC000617577506 399746007 /nfs/dbraw/zinc/74/60/07/399746007.db2.gz POZSBPWQDKBRTR-OAHLLOKOSA-N 1 2 313.401 2.595 20 30 DFEDLO C#C[C@H](C)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000289513952 335063940 /nfs/dbraw/zinc/06/39/40/335063940.db2.gz OWKZCEJXPHMGLJ-LBPRGKRZSA-N 1 2 302.399 2.842 20 30 DFEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329729402 543108495 /nfs/dbraw/zinc/10/84/95/543108495.db2.gz PFNHRYKWGYSKQW-GJZGRUSLSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1cccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329729402 543108497 /nfs/dbraw/zinc/10/84/97/543108497.db2.gz PFNHRYKWGYSKQW-GJZGRUSLSA-N 1 2 310.357 2.534 20 30 DFEDLO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC000329409790 543104026 /nfs/dbraw/zinc/10/40/26/543104026.db2.gz CUNIHXWDSMFTFW-CYBMUJFWSA-N 1 2 315.421 2.808 20 30 DFEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CC=CC1 ZINC000329511597 543105072 /nfs/dbraw/zinc/10/50/72/543105072.db2.gz KQCFYFWAABBKIR-UHFFFAOYSA-N 1 2 312.373 2.954 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC000329519899 543105393 /nfs/dbraw/zinc/10/53/93/543105393.db2.gz FGYIXFWAOJSQJX-GFCCVEGCSA-N 1 2 302.382 2.549 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC000329519899 543105397 /nfs/dbraw/zinc/10/53/97/543105397.db2.gz FGYIXFWAOJSQJX-GFCCVEGCSA-N 1 2 302.382 2.549 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000604556510 399855741 /nfs/dbraw/zinc/85/57/41/399855741.db2.gz TXJQRILLDSEYKK-ZDUSSCGKSA-N 1 2 311.345 2.932 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000617975686 399854581 /nfs/dbraw/zinc/85/45/81/399854581.db2.gz SBUGOWZTXBHYDW-UHFFFAOYSA-N 1 2 314.433 2.527 20 30 DFEDLO COc1cccc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604558987 399856352 /nfs/dbraw/zinc/85/63/52/399856352.db2.gz YDSGJESQQDDJBG-LBPRGKRZSA-N 1 2 322.372 2.922 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1cc(C#N)ccc1F ZINC000174410806 145379624 /nfs/dbraw/zinc/37/96/24/145379624.db2.gz QFUOKPPTSFYPQS-UHFFFAOYSA-N 1 2 322.343 2.672 20 30 DFEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000630500683 399895488 /nfs/dbraw/zinc/89/54/88/399895488.db2.gz YOEHXWMNHXCJIZ-UHFFFAOYSA-N 1 2 314.429 2.566 20 30 DFEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000630978931 399957496 /nfs/dbraw/zinc/95/74/96/399957496.db2.gz LCESTFFYFRJVPZ-CJNGLKHVSA-N 1 2 324.384 2.820 20 30 DFEDLO C=CCC[C@H](C(=O)N(C)C[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000633919801 399961115 /nfs/dbraw/zinc/96/11/15/399961115.db2.gz CPKDSLVEEZCQFF-MSOLQXFVSA-N 1 2 316.445 2.525 20 30 DFEDLO C=CCC[C@H](C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000633919801 399961117 /nfs/dbraw/zinc/96/11/17/399961117.db2.gz CPKDSLVEEZCQFF-MSOLQXFVSA-N 1 2 316.445 2.525 20 30 DFEDLO C=C1CC(C)(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000630878477 399942665 /nfs/dbraw/zinc/94/26/65/399942665.db2.gz YFOYNGHOFOOBHI-ZDUSSCGKSA-N 1 2 301.434 2.968 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000628491837 400036646 /nfs/dbraw/zinc/03/66/46/400036646.db2.gz IRZKSPRYRZUKPQ-VXGBXAGGSA-N 1 2 315.339 2.881 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C1=O ZINC000628259089 400010338 /nfs/dbraw/zinc/01/03/38/400010338.db2.gz GJLIJSDAEXKVMC-NSHDSACASA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C1=O ZINC000628259089 400010340 /nfs/dbraw/zinc/01/03/40/400010340.db2.gz GJLIJSDAEXKVMC-NSHDSACASA-N 1 2 318.364 2.986 20 30 DFEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@H]1C ZINC000252008140 146220876 /nfs/dbraw/zinc/22/08/76/146220876.db2.gz XGKKWKUBMXSMLK-IAQYHMDHSA-N 1 2 321.808 2.507 20 30 DFEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@H]1C ZINC000252008140 146220879 /nfs/dbraw/zinc/22/08/79/146220879.db2.gz XGKKWKUBMXSMLK-IAQYHMDHSA-N 1 2 321.808 2.507 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000354780124 147148197 /nfs/dbraw/zinc/14/81/97/147148197.db2.gz DUMUPWUWJLHYFO-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000354780124 147148200 /nfs/dbraw/zinc/14/82/00/147148200.db2.gz DUMUPWUWJLHYFO-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Nc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000355426867 147311065 /nfs/dbraw/zinc/31/10/65/147311065.db2.gz SCEQHVUOVPPJFJ-HNNXBMFYSA-N 1 2 324.775 2.937 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000660634190 543528794 /nfs/dbraw/zinc/52/87/94/543528794.db2.gz MSHSEAXEDORJCJ-ZDUSSCGKSA-N 1 2 323.387 2.805 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000660634190 543528796 /nfs/dbraw/zinc/52/87/96/543528796.db2.gz MSHSEAXEDORJCJ-ZDUSSCGKSA-N 1 2 323.387 2.805 20 30 DFEDLO C=CCSc1ccccc1NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661086353 543532083 /nfs/dbraw/zinc/53/20/83/543532083.db2.gz ZBPSVERALZGKKO-UHFFFAOYSA-N 1 2 316.430 2.758 20 30 DFEDLO C=CCSc1ccccc1NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661086353 543532085 /nfs/dbraw/zinc/53/20/85/543532085.db2.gz ZBPSVERALZGKKO-UHFFFAOYSA-N 1 2 316.430 2.758 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCCOC2)O1 ZINC000361618425 149170398 /nfs/dbraw/zinc/17/03/98/149170398.db2.gz 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150346764 /nfs/dbraw/zinc/34/67/64/150346764.db2.gz WBOXPDMYCXBXLC-CQSZACIVSA-N 1 2 315.373 2.546 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000374546208 150376122 /nfs/dbraw/zinc/37/61/22/150376122.db2.gz RRNRLBZNDQQXCL-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000374546208 150376126 /nfs/dbraw/zinc/37/61/26/150376126.db2.gz RRNRLBZNDQQXCL-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000493446428 299782216 /nfs/dbraw/zinc/78/22/16/299782216.db2.gz CRJXLCVTOAYLCU-WAYWQWQTSA-N 1 2 304.353 2.610 20 30 DFEDLO C[C@H](NC(=O)c1ccnc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193389982 158077598 /nfs/dbraw/zinc/07/75/98/158077598.db2.gz PTEBFFBPZHMIRO-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO CCn1cc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000248701244 158196296 /nfs/dbraw/zinc/19/62/96/158196296.db2.gz FJNDLRCTQJTRMV-KDOFPFPSSA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000248701244 158196299 /nfs/dbraw/zinc/19/62/99/158196299.db2.gz FJNDLRCTQJTRMV-KDOFPFPSSA-N 1 2 310.401 2.909 20 30 DFEDLO COCc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000355130447 158280804 /nfs/dbraw/zinc/28/08/04/158280804.db2.gz JOCNSCXUQWFKTR-SFHVURJKSA-N 1 2 312.369 2.871 20 30 DFEDLO COCc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000355130447 158280805 /nfs/dbraw/zinc/28/08/05/158280805.db2.gz JOCNSCXUQWFKTR-SFHVURJKSA-N 1 2 312.369 2.871 20 30 DFEDLO C[S@@](=O)Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000134167632 196367294 /nfs/dbraw/zinc/36/72/94/196367294.db2.gz YPZQCRLCEBXUDU-QHCPKHFHSA-N 1 2 324.409 2.697 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078349 544020078 /nfs/dbraw/zinc/02/00/78/544020078.db2.gz PUXXEDJVLZHHFL-UHFFFAOYSA-N 1 2 324.428 2.832 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478143 544494541 /nfs/dbraw/zinc/49/45/41/544494541.db2.gz 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ZINC000067128169 425908807 /nfs/dbraw/zinc/90/88/07/425908807.db2.gz NFGXOOGLPKLRND-UHFFFAOYSA-N 1 2 310.195 2.623 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000068855096 425921836 /nfs/dbraw/zinc/92/18/36/425921836.db2.gz NQBPZUJKWWNFCD-AWEZNQCLSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000068855096 425921838 /nfs/dbraw/zinc/92/18/38/425921838.db2.gz NQBPZUJKWWNFCD-AWEZNQCLSA-N 1 2 319.405 2.744 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000107457854 269997538 /nfs/dbraw/zinc/99/75/38/269997538.db2.gz WPQOTRQNOPNWCA-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCOCC2)cc1F ZINC000421346423 270000720 /nfs/dbraw/zinc/00/07/20/270000720.db2.gz SRMMMSJPKNXYCQ-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO Cc1csc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000156140966 425932675 /nfs/dbraw/zinc/93/26/75/425932675.db2.gz XLSGMYBAZUOQJI-UHFFFAOYSA-N 1 2 315.417 2.764 20 30 DFEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000156561735 425934978 /nfs/dbraw/zinc/93/49/78/425934978.db2.gz SJTRIEXRJNBMNX-UHFFFAOYSA-N 1 2 307.825 2.743 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000340902240 266379869 /nfs/dbraw/zinc/37/98/69/266379869.db2.gz KREOLQKRKBQQMQ-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(C#N)c1F ZINC000340902240 266379871 /nfs/dbraw/zinc/37/98/71/266379871.db2.gz KREOLQKRKBQQMQ-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904128 266901613 /nfs/dbraw/zinc/90/16/13/266901613.db2.gz VUBZDENYUBXPRM-BQYQJAHWSA-N 1 2 308.385 2.979 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cc(C#N)[nH]c1C)c1ccccc1 ZINC000448606179 267064022 /nfs/dbraw/zinc/06/40/22/267064022.db2.gz SZINPGPBISAPRL-UHFFFAOYSA-N 1 2 310.401 2.841 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cc(C#N)[nH]c1C)c1ccccc1 ZINC000448606179 267064023 /nfs/dbraw/zinc/06/40/23/267064023.db2.gz 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425810046 /nfs/dbraw/zinc/81/00/46/425810046.db2.gz MNTMSQUBMBNNIT-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000028082285 425819595 /nfs/dbraw/zinc/81/95/95/425819595.db2.gz QCCDHMIPZDWCSH-UHFFFAOYSA-N 1 2 324.365 2.545 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)ccc1C#N ZINC000488466770 267992582 /nfs/dbraw/zinc/99/25/82/267992582.db2.gz VIZGGEMACRNDHD-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)ccc1C#N ZINC000488283734 267999272 /nfs/dbraw/zinc/99/92/72/267999272.db2.gz LWINKWYSQRZDND-AWEZNQCLSA-N 1 2 318.384 2.693 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C#N)cc1 ZINC000192257678 268028524 /nfs/dbraw/zinc/02/85/24/268028524.db2.gz DZPMEWALUXOKAB-UHFFFAOYSA-N 1 2 310.401 2.870 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000428939145 268163573 /nfs/dbraw/zinc/16/35/73/268163573.db2.gz LSHVPLVRQFNXFC-BXUZGUMPSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000428939145 268163576 /nfs/dbraw/zinc/16/35/76/268163576.db2.gz LSHVPLVRQFNXFC-BXUZGUMPSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338333463 268173192 /nfs/dbraw/zinc/17/31/92/268173192.db2.gz MDXZFSZEQXZZTG-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338333463 268173194 /nfs/dbraw/zinc/17/31/94/268173194.db2.gz MDXZFSZEQXZZTG-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(Cl)c1 ZINC000450898547 268218546 /nfs/dbraw/zinc/21/85/46/268218546.db2.gz UAPXLUBRSKAPHQ-LBPRGKRZSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(Cl)c1 ZINC000450898547 268218549 /nfs/dbraw/zinc/21/85/49/268218549.db2.gz UAPXLUBRSKAPHQ-LBPRGKRZSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(Cl)c1 ZINC000450898547 268218551 /nfs/dbraw/zinc/21/85/51/268218551.db2.gz UAPXLUBRSKAPHQ-LBPRGKRZSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC000518381519 268220664 /nfs/dbraw/zinc/22/06/64/268220664.db2.gz UPWRKYWUVDMJES-UHFFFAOYSA-N 1 2 301.346 2.611 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC000518381519 268220667 /nfs/dbraw/zinc/22/06/67/268220667.db2.gz UPWRKYWUVDMJES-UHFFFAOYSA-N 1 2 301.346 2.611 20 30 DFEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000270835836 268224717 /nfs/dbraw/zinc/22/47/17/268224717.db2.gz DVCGGNNMEWTEKN-MRXNPFEDSA-N 1 2 318.417 2.644 20 30 DFEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000270835836 268224718 /nfs/dbraw/zinc/22/47/18/268224718.db2.gz DVCGGNNMEWTEKN-MRXNPFEDSA-N 1 2 318.417 2.644 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000347612023 268239935 /nfs/dbraw/zinc/23/99/35/268239935.db2.gz TUQWURADUVNTPV-UHFFFAOYSA-N 1 2 302.337 2.625 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352564627 268249768 /nfs/dbraw/zinc/24/97/68/268249768.db2.gz VRXBUNZWQGTATF-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352564627 268249771 /nfs/dbraw/zinc/24/97/71/268249771.db2.gz VRXBUNZWQGTATF-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411968359 268288117 /nfs/dbraw/zinc/28/81/17/268288117.db2.gz GFYNXOOUFSVXNO-IXDOHACOSA-N 1 2 320.396 2.791 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CF)CC2)c(C#N)c1C ZINC000295120881 268290862 /nfs/dbraw/zinc/29/08/62/268290862.db2.gz JTEAOPFWBQSCLM-NSHDSACASA-N 1 2 307.369 2.777 20 30 DFEDLO N#Cc1ccnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000343086722 268294684 /nfs/dbraw/zinc/29/46/84/268294684.db2.gz UDLRHFUJECTXDE-ZDUSSCGKSA-N 1 2 300.749 2.659 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000049926074 425880839 /nfs/dbraw/zinc/88/08/39/425880839.db2.gz KCNATTZUJJRBTG-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccs1 ZINC000158816224 425948768 /nfs/dbraw/zinc/94/87/68/425948768.db2.gz UIDFORJLLCVESC-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccs1 ZINC000158816224 425948769 /nfs/dbraw/zinc/94/87/69/425948769.db2.gz UIDFORJLLCVESC-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125348850 425967577 /nfs/dbraw/zinc/96/75/77/425967577.db2.gz XXDAHQVLMLKNAL-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125348850 425967578 /nfs/dbraw/zinc/96/75/78/425967578.db2.gz XXDAHQVLMLKNAL-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)CCCCC1 ZINC000125553149 425977996 /nfs/dbraw/zinc/97/79/96/425977996.db2.gz BOVWOYPWSVIFPB-INIZCTEOSA-N 1 2 312.417 2.561 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)CCCCC1 ZINC000125553149 425977999 /nfs/dbraw/zinc/97/79/99/425977999.db2.gz BOVWOYPWSVIFPB-INIZCTEOSA-N 1 2 312.417 2.561 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000106886319 425978894 /nfs/dbraw/zinc/97/88/94/425978894.db2.gz RQZUFEULNGDBSJ-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000106886319 425978896 /nfs/dbraw/zinc/97/88/96/425978896.db2.gz RQZUFEULNGDBSJ-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000161649941 426032980 /nfs/dbraw/zinc/03/29/80/426032980.db2.gz SXLITPDRXGBFBX-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO C=CCN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000161649941 426032982 /nfs/dbraw/zinc/03/29/82/426032982.db2.gz SXLITPDRXGBFBX-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000108393522 426014891 /nfs/dbraw/zinc/01/48/91/426014891.db2.gz SHBQYPWYXFNBHT-AWEZNQCLSA-N 1 2 321.446 2.839 20 30 DFEDLO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000108393522 426014894 /nfs/dbraw/zinc/01/48/94/426014894.db2.gz SHBQYPWYXFNBHT-AWEZNQCLSA-N 1 2 321.446 2.839 20 30 DFEDLO N#CCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000072516673 426017015 /nfs/dbraw/zinc/01/70/15/426017015.db2.gz OZTXVKAGUVQPET-UHFFFAOYSA-N 1 2 300.793 2.529 20 30 DFEDLO N#CCc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000076083726 426099066 /nfs/dbraw/zinc/09/90/66/426099066.db2.gz JSZXFJRVCIFGCK-UHFFFAOYSA-N 1 2 319.368 2.765 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2sccc2C#N)c[nH+]1 ZINC000128164772 426104272 /nfs/dbraw/zinc/10/42/72/426104272.db2.gz RTTCATIMLBXAQD-UHFFFAOYSA-N 1 2 314.414 2.791 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000128309727 426112047 /nfs/dbraw/zinc/11/20/47/426112047.db2.gz OWDBXYXTHAUYGB-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO C=CCCCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000076951897 426120072 /nfs/dbraw/zinc/12/00/72/426120072.db2.gz SXEOCVUCXBSWQK-UHFFFAOYSA-N 1 2 302.422 2.658 20 30 DFEDLO C#CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)C1CCCC1 ZINC000162782521 426077721 /nfs/dbraw/zinc/07/77/21/426077721.db2.gz GYXGZXDNQOGFCB-UHFFFAOYSA-N 1 2 324.428 2.932 20 30 DFEDLO C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000127780464 426086674 /nfs/dbraw/zinc/08/66/74/426086674.db2.gz KAZPHKRKPVWVRB-XJKSGUPXSA-N 1 2 309.373 2.870 20 30 DFEDLO CCc1cc2c(C[N@H+](C)[C@@H](C)CC#N)cc(=O)oc2cc1O ZINC000129593130 426139717 /nfs/dbraw/zinc/13/97/17/426139717.db2.gz XRSDCYWRWKAHFQ-NSHDSACASA-N 1 2 300.358 2.795 20 30 DFEDLO CCc1cc2c(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)oc2cc1O ZINC000129593130 426139718 /nfs/dbraw/zinc/13/97/18/426139718.db2.gz XRSDCYWRWKAHFQ-NSHDSACASA-N 1 2 300.358 2.795 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130435713 426158707 /nfs/dbraw/zinc/15/87/07/426158707.db2.gz MJRSKNHZJJHNHP-MRXNPFEDSA-N 1 2 320.396 2.661 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000130871326 426162917 /nfs/dbraw/zinc/16/29/17/426162917.db2.gz IOPYPJVRWQYQJM-SUMWQHHRSA-N 1 2 314.385 2.658 20 30 DFEDLO C[N@H+](Cc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531421 426166418 /nfs/dbraw/zinc/16/64/18/426166418.db2.gz REFJNEWLBZAQQJ-INIZCTEOSA-N 1 2 313.788 2.870 20 30 DFEDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531421 426166420 /nfs/dbraw/zinc/16/64/20/426166420.db2.gz REFJNEWLBZAQQJ-INIZCTEOSA-N 1 2 313.788 2.870 20 30 DFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000115595359 426169502 /nfs/dbraw/zinc/16/95/02/426169502.db2.gz LFOFNOGDSAGXEW-MGPLVRAMSA-N 1 2 315.323 2.714 20 30 DFEDLO OC(=C[C@H](c1ccccc1)C(F)(F)F)NC1=[NH+]CCS1 ZINC000078481930 426171618 /nfs/dbraw/zinc/17/16/18/426171618.db2.gz VLBLBWSDVFIDTB-SNVBAGLBSA-N 1 2 302.321 2.942 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)CC1CC1 ZINC000081062225 426217805 /nfs/dbraw/zinc/21/78/05/426217805.db2.gz UNTDWOWETKIEKT-IBGZPJMESA-N 1 2 311.429 2.880 20 30 DFEDLO N#CCC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)CC1CC1 ZINC000081062225 426217808 /nfs/dbraw/zinc/21/78/08/426217808.db2.gz UNTDWOWETKIEKT-IBGZPJMESA-N 1 2 311.429 2.880 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000081614149 426226582 /nfs/dbraw/zinc/22/65/82/426226582.db2.gz YPEVUKRXBGGNRW-QGZVFWFLSA-N 1 2 320.396 2.847 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000084860392 426245014 /nfs/dbraw/zinc/24/50/14/426245014.db2.gz PZBJDGUFMHEGTP-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000118952025 426251495 /nfs/dbraw/zinc/25/14/95/426251495.db2.gz VGXFOYYHFAJJIB-MRXNPFEDSA-N 1 2 323.396 2.655 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(CCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171759636 426210090 /nfs/dbraw/zinc/21/00/90/426210090.db2.gz YMWCYTUWFZQBMD-KRWDZBQOSA-N 1 2 307.459 2.814 20 30 DFEDLO C=CC[N@H+](Cc1ccc(CCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171759636 426210094 /nfs/dbraw/zinc/21/00/94/426210094.db2.gz YMWCYTUWFZQBMD-KRWDZBQOSA-N 1 2 307.459 2.814 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000151362217 426291933 /nfs/dbraw/zinc/29/19/33/426291933.db2.gz TZTSDRGXTIYXGK-UHFFFAOYSA-N 1 2 304.459 2.827 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613366 426328913 /nfs/dbraw/zinc/32/89/13/426328913.db2.gz KNBLWEBMNKGLJH-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613366 426328916 /nfs/dbraw/zinc/32/89/16/426328916.db2.gz KNBLWEBMNKGLJH-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1OC)C(C)(C)C ZINC000121267651 426329890 /nfs/dbraw/zinc/32/98/90/426329890.db2.gz MESRATMOWHRDQA-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC)C(C)(C)C ZINC000121267651 426329892 /nfs/dbraw/zinc/32/98/92/426329892.db2.gz MESRATMOWHRDQA-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO O=C(C#Cc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000091211700 426341918 /nfs/dbraw/zinc/34/19/18/426341918.db2.gz QPDVAPZGRGQOFD-UHFFFAOYSA-N 1 2 301.349 2.540 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121549661 426349962 /nfs/dbraw/zinc/34/99/62/426349962.db2.gz FRPYIEJKKNVWCX-SHCNBLLESA-N 1 2 319.364 2.646 20 30 DFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457884 426355640 /nfs/dbraw/zinc/35/56/40/426355640.db2.gz JDGBWVYUUGJWQM-FQEVSTJZSA-N 1 2 323.392 2.978 20 30 DFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457884 426355643 /nfs/dbraw/zinc/35/56/43/426355643.db2.gz JDGBWVYUUGJWQM-FQEVSTJZSA-N 1 2 323.392 2.978 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000093563409 426357096 /nfs/dbraw/zinc/35/70/96/426357096.db2.gz WERYUWKIYWVNIF-CQSZACIVSA-N 1 2 316.401 2.895 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000093563409 426357098 /nfs/dbraw/zinc/35/70/98/426357098.db2.gz WERYUWKIYWVNIF-CQSZACIVSA-N 1 2 316.401 2.895 20 30 DFEDLO COc1cccc(C(N)=[NH+]OCc2csc(C3CC3)n2)c1 ZINC000153404144 426384258 /nfs/dbraw/zinc/38/42/58/426384258.db2.gz ORCWBQUUVLCEBD-UHFFFAOYSA-N 1 2 303.387 2.866 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)o1 ZINC000123164773 426417788 /nfs/dbraw/zinc/41/77/88/426417788.db2.gz UORQAKFOIQMRBJ-UHFFFAOYSA-N 1 2 313.376 2.998 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)o1 ZINC000123164773 426417790 /nfs/dbraw/zinc/41/77/90/426417790.db2.gz UORQAKFOIQMRBJ-UHFFFAOYSA-N 1 2 313.376 2.998 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1F ZINC000340963457 269029336 /nfs/dbraw/zinc/02/93/36/269029336.db2.gz GSRMZFWWAQSGTH-OCCSQVGLSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1F ZINC000340963457 269029337 /nfs/dbraw/zinc/02/93/37/269029337.db2.gz GSRMZFWWAQSGTH-OCCSQVGLSA-N 1 2 316.298 2.975 20 30 DFEDLO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439438 269077068 /nfs/dbraw/zinc/07/70/68/269077068.db2.gz KPMKMPZJFKEJHN-WBVHZDCISA-N 1 2 309.369 2.823 20 30 DFEDLO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439438 269077070 /nfs/dbraw/zinc/07/70/70/269077070.db2.gz KPMKMPZJFKEJHN-WBVHZDCISA-N 1 2 309.369 2.823 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000155276337 426467918 /nfs/dbraw/zinc/46/79/18/426467918.db2.gz WTCQYMZUCRLERF-SFHVURJKSA-N 1 2 306.369 2.534 20 30 DFEDLO CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C[C@H](C)C#N ZINC000098134553 426479737 /nfs/dbraw/zinc/47/97/37/426479737.db2.gz HGEXTABFCTYRGM-MRXNPFEDSA-N 1 2 313.445 2.968 20 30 DFEDLO CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C[C@H](C)C#N ZINC000098134553 426479739 /nfs/dbraw/zinc/47/97/39/426479739.db2.gz HGEXTABFCTYRGM-MRXNPFEDSA-N 1 2 313.445 2.968 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000264337868 426538648 /nfs/dbraw/zinc/53/86/48/426538648.db2.gz BEWZBPWGXCAZPI-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000264337868 426538653 /nfs/dbraw/zinc/53/86/53/426538653.db2.gz BEWZBPWGXCAZPI-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000264422789 426551648 /nfs/dbraw/zinc/55/16/48/426551648.db2.gz ALKXZTXTEUKGSM-CYBMUJFWSA-N 1 2 301.390 2.624 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000177507109 426491140 /nfs/dbraw/zinc/49/11/40/426491140.db2.gz SMQDQLIABGKMSF-UHFFFAOYSA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000177507109 426491143 /nfs/dbraw/zinc/49/11/43/426491143.db2.gz SMQDQLIABGKMSF-UHFFFAOYSA-N 1 2 307.419 2.534 20 30 DFEDLO N#Cc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000195183814 426505333 /nfs/dbraw/zinc/50/53/33/426505333.db2.gz MRBXZADUSLOSDR-UHFFFAOYSA-N 1 2 316.364 2.603 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000177680272 426505942 /nfs/dbraw/zinc/50/59/42/426505942.db2.gz SOIUYGITHOTQQM-GOSISDBHSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000177680272 426505948 /nfs/dbraw/zinc/50/59/48/426505948.db2.gz SOIUYGITHOTQQM-GOSISDBHSA-N 1 2 312.369 2.994 20 30 DFEDLO CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272601570 426569653 /nfs/dbraw/zinc/56/96/53/426569653.db2.gz OVGFTZMABLCXDQ-JKSUJKDBSA-N 1 2 313.445 2.885 20 30 DFEDLO O=C1OCC[C@]12CCC[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186718859 426585054 /nfs/dbraw/zinc/58/50/54/426585054.db2.gz NFXVPDNWKYBPJX-MRXNPFEDSA-N 1 2 323.314 2.838 20 30 DFEDLO O=C1OCC[C@]12CCC[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186718859 426585058 /nfs/dbraw/zinc/58/50/58/426585058.db2.gz NFXVPDNWKYBPJX-MRXNPFEDSA-N 1 2 323.314 2.838 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561404 426600813 /nfs/dbraw/zinc/60/08/13/426600813.db2.gz UYURUCICUJNVGC-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561404 426600817 /nfs/dbraw/zinc/60/08/17/426600817.db2.gz UYURUCICUJNVGC-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000273214523 426618849 /nfs/dbraw/zinc/61/88/49/426618849.db2.gz ULWLDFKDKINLPY-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000264484830 426561197 /nfs/dbraw/zinc/56/11/97/426561197.db2.gz RCLZSBAQZPFANF-UHFFFAOYSA-N 1 2 301.415 2.893 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000264484865 426561350 /nfs/dbraw/zinc/56/13/50/426561350.db2.gz REZGQMDEBGXYIH-CQSZACIVSA-N 1 2 316.401 2.827 20 30 DFEDLO C#CCOc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000280751738 426648599 /nfs/dbraw/zinc/64/85/99/426648599.db2.gz AASSRRVHZYXESP-UHFFFAOYSA-N 1 2 322.355 2.614 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000273531984 426680137 /nfs/dbraw/zinc/68/01/37/426680137.db2.gz TTXOIZBNLICYKZ-GOEBONIOSA-N 1 2 322.449 2.932 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000290155655 426704436 /nfs/dbraw/zinc/70/44/36/426704436.db2.gz LMYSCXNAQIZTON-UHFFFAOYSA-N 1 2 313.336 2.763 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(-n2cccn2)cc1 ZINC000266170646 426722455 /nfs/dbraw/zinc/72/24/55/426722455.db2.gz CBOKTWZTVZZKTO-CQSZACIVSA-N 1 2 316.405 2.722 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281421078 426719047 /nfs/dbraw/zinc/71/90/47/426719047.db2.gz QUMOLBSNMYXHKX-CQSZACIVSA-N 1 2 322.478 2.715 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281421078 426719052 /nfs/dbraw/zinc/71/90/52/426719052.db2.gz QUMOLBSNMYXHKX-CQSZACIVSA-N 1 2 322.478 2.715 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000265973573 426719998 /nfs/dbraw/zinc/71/99/98/426719998.db2.gz WKPPAKZWJNUWIK-MRXNPFEDSA-N 1 2 309.369 2.789 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000245770466 426769706 /nfs/dbraw/zinc/76/97/06/426769706.db2.gz KJOAPWRKLKRFFI-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000245770466 426769708 /nfs/dbraw/zinc/76/97/08/426769708.db2.gz KJOAPWRKLKRFFI-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO C#CCSCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281839655 426776780 /nfs/dbraw/zinc/77/67/80/426776780.db2.gz XRHOFLOZGCIOBZ-AWEZNQCLSA-N 1 2 320.462 2.506 20 30 DFEDLO C#CCN(C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000274187391 426722618 /nfs/dbraw/zinc/72/26/18/426722618.db2.gz YZELGOLCCIAZPO-CQSZACIVSA-N 1 2 308.385 2.741 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2sc(C)nc2C)cc1OC ZINC000266316275 426725054 /nfs/dbraw/zinc/72/50/54/426725054.db2.gz QKNCSUDNMPMGLE-UHFFFAOYSA-N 1 2 321.402 2.614 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000179620863 426805702 /nfs/dbraw/zinc/80/57/02/426805702.db2.gz ZOBFQHPGMPQVRX-GFCCVEGCSA-N 1 2 308.307 2.980 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000179620863 426805707 /nfs/dbraw/zinc/80/57/07/426805707.db2.gz ZOBFQHPGMPQVRX-GFCCVEGCSA-N 1 2 308.307 2.980 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000246403526 426829759 /nfs/dbraw/zinc/82/97/59/426829759.db2.gz PLLPHXNGQIPFHL-QAPCUYQASA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000246403526 426829764 /nfs/dbraw/zinc/82/97/64/426829764.db2.gz PLLPHXNGQIPFHL-QAPCUYQASA-N 1 2 310.401 2.525 20 30 DFEDLO CC(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000274800303 426839459 /nfs/dbraw/zinc/83/94/59/426839459.db2.gz VDFRXZDGGIWLKV-UHFFFAOYSA-N 1 2 305.809 2.560 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000189367005 426845450 /nfs/dbraw/zinc/84/54/50/426845450.db2.gz XUOZLXWKNYHXKO-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO CCOC(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000181100466 426914443 /nfs/dbraw/zinc/91/44/43/426914443.db2.gz ZSRQEWWZNYVBKP-UHFFFAOYSA-N 1 2 320.352 2.995 20 30 DFEDLO C=CCCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275760217 426912532 /nfs/dbraw/zinc/91/25/32/426912532.db2.gz WUKIGIARNCYUBI-HNNXBMFYSA-N 1 2 315.417 2.628 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247685202 426957677 /nfs/dbraw/zinc/95/76/77/426957677.db2.gz SBUCOQZPGXEZOG-GDBMZVCRSA-N 1 2 315.417 2.632 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247685202 426957686 /nfs/dbraw/zinc/95/76/86/426957686.db2.gz SBUCOQZPGXEZOG-GDBMZVCRSA-N 1 2 315.417 2.632 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000276036909 426970328 /nfs/dbraw/zinc/97/03/28/426970328.db2.gz VLMPXRCZCHZWFY-KBXCAEBGSA-N 1 2 317.433 2.730 20 30 DFEDLO C[C@H]1CCN(C(=O)NCC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000268355789 426995313 /nfs/dbraw/zinc/99/53/13/426995313.db2.gz RUYJEWNYQVGVRE-WMZOPIPTSA-N 1 2 322.412 2.527 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H](C)CC ZINC000181652888 426974154 /nfs/dbraw/zinc/97/41/54/426974154.db2.gz KXTGNAXIPGHUAY-CJNGLKHVSA-N 1 2 304.390 2.504 20 30 DFEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCS1 ZINC000328599500 426980001 /nfs/dbraw/zinc/98/00/01/426980001.db2.gz CBRMGMCHMFSTAH-QWHCGFSZSA-N 1 2 308.451 2.502 20 30 DFEDLO CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328599054 426981560 /nfs/dbraw/zinc/98/15/60/426981560.db2.gz BPZFVCLLPSKMPS-JHJVBQTASA-N 1 2 304.438 2.798 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@]1(C)CCCS1)CCC2 ZINC000328652839 426985202 /nfs/dbraw/zinc/98/52/02/426985202.db2.gz KRVMMSQHXODGKA-BBRMVZONSA-N 1 2 322.478 2.858 20 30 DFEDLO C[C@H](NC(=O)c1coc(C2CCCC2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000328713983 426990827 /nfs/dbraw/zinc/99/08/27/426990827.db2.gz CWJQPYFCGSAFGD-STQMWFEESA-N 1 2 321.421 2.746 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181314168 426935563 /nfs/dbraw/zinc/93/55/63/426935563.db2.gz USGDVTGCSPMPJD-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181314168 426935572 /nfs/dbraw/zinc/93/55/72/426935572.db2.gz USGDVTGCSPMPJD-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000268584038 427059601 /nfs/dbraw/zinc/05/96/01/427059601.db2.gz UFZIJGMDBZKWOC-UONOGXRCSA-N 1 2 311.426 2.562 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000268584038 427059609 /nfs/dbraw/zinc/05/96/09/427059609.db2.gz UFZIJGMDBZKWOC-UONOGXRCSA-N 1 2 311.426 2.562 20 30 DFEDLO CC[C@@H]1CC[C@H](C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)O1 ZINC000328975790 427018929 /nfs/dbraw/zinc/01/89/29/427018929.db2.gz CUSQRYXFPNPAJN-KFWWJZLASA-N 1 2 321.421 2.802 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248604723 427019299 /nfs/dbraw/zinc/01/92/99/427019299.db2.gz BXUOSWYKCZYQJW-CVEARBPZSA-N 1 2 320.383 2.876 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248604723 427019303 /nfs/dbraw/zinc/01/93/03/427019303.db2.gz BXUOSWYKCZYQJW-CVEARBPZSA-N 1 2 320.383 2.876 20 30 DFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC(C)(C)C2)nc[nH+]1 ZINC000329203675 427065213 /nfs/dbraw/zinc/06/52/13/427065213.db2.gz XHRVYYDXNQTDTR-CYBMUJFWSA-N 1 2 317.437 2.880 20 30 DFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC(C)(C)C2)[nH+]cn1 ZINC000329203675 427065220 /nfs/dbraw/zinc/06/52/20/427065220.db2.gz XHRVYYDXNQTDTR-CYBMUJFWSA-N 1 2 317.437 2.880 20 30 DFEDLO CC1(C)C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000329233897 427070683 /nfs/dbraw/zinc/07/06/83/427070683.db2.gz HIDAPZKLMMOPFT-CYBMUJFWSA-N 1 2 320.437 2.849 20 30 DFEDLO O=C(NCC[C@@H]1CCCCO1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329252769 427072023 /nfs/dbraw/zinc/07/20/23/427072023.db2.gz BZRVWTPQWCXTMZ-JKSUJKDBSA-N 1 2 310.438 2.546 20 30 DFEDLO O=C(NCC[C@@H]1CCCCO1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329252769 427072031 /nfs/dbraw/zinc/07/20/31/427072031.db2.gz BZRVWTPQWCXTMZ-JKSUJKDBSA-N 1 2 310.438 2.546 20 30 DFEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000268641219 427077858 /nfs/dbraw/zinc/07/78/58/427077858.db2.gz DNAQIQIASIMBSM-ZDUSSCGKSA-N 1 2 324.346 2.610 20 30 DFEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000268641219 427077862 /nfs/dbraw/zinc/07/78/62/427077862.db2.gz DNAQIQIASIMBSM-ZDUSSCGKSA-N 1 2 324.346 2.610 20 30 DFEDLO Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2C)no1 ZINC000329322829 427090109 /nfs/dbraw/zinc/09/01/09/427090109.db2.gz RVYOFZJHUXDUSC-ZDUSSCGKSA-N 1 2 301.350 2.772 20 30 DFEDLO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000296153049 427091601 /nfs/dbraw/zinc/09/16/01/427091601.db2.gz GYCYQFLYTFHYTA-PWSUYJOCSA-N 1 2 307.419 2.532 20 30 DFEDLO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000296153049 427091607 /nfs/dbraw/zinc/09/16/07/427091607.db2.gz GYCYQFLYTFHYTA-PWSUYJOCSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329418911 427113507 /nfs/dbraw/zinc/11/35/07/427113507.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329418911 427113510 /nfs/dbraw/zinc/11/35/10/427113510.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000329418911 427113514 /nfs/dbraw/zinc/11/35/14/427113514.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000329418911 427113519 /nfs/dbraw/zinc/11/35/19/427113519.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329418911 427113523 /nfs/dbraw/zinc/11/35/23/427113523.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329418911 427113528 /nfs/dbraw/zinc/11/35/28/427113528.db2.gz DVQOCXCHJILYHJ-CYBMUJFWSA-N 1 2 305.426 2.582 20 30 DFEDLO CC(=O)NCC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000329424582 427114028 /nfs/dbraw/zinc/11/40/28/427114028.db2.gz 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CC(C)[N@@H+]1CCO[C@@H](c2noc(C3(C#N)CCCCC3)n2)C1 ZINC000329541565 427136999 /nfs/dbraw/zinc/13/69/99/427136999.db2.gz NKIXIFBPLZLCER-CYBMUJFWSA-N 1 2 304.394 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3(C#N)CCCCC3)n2)C1 ZINC000329541565 427137005 /nfs/dbraw/zinc/13/70/05/427137005.db2.gz NKIXIFBPLZLCER-CYBMUJFWSA-N 1 2 304.394 2.577 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329557226 427140743 /nfs/dbraw/zinc/14/07/43/427140743.db2.gz BXRVNPGBBBASTN-GJZGRUSLSA-N 1 2 314.433 2.939 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249804684 427147322 /nfs/dbraw/zinc/14/73/22/427147322.db2.gz AYBHXYQPSBHMNV-KGLIPLIRSA-N 1 2 320.462 2.678 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000249804684 427147329 /nfs/dbraw/zinc/14/73/29/427147329.db2.gz AYBHXYQPSBHMNV-KGLIPLIRSA-N 1 2 320.462 2.678 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OC ZINC000277287812 427151689 /nfs/dbraw/zinc/15/16/89/427151689.db2.gz ACJQWRAOQMFNQU-FPTDNZKUSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1OC ZINC000277287812 427151693 /nfs/dbraw/zinc/15/16/93/427151693.db2.gz ACJQWRAOQMFNQU-FPTDNZKUSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000249949850 427153946 /nfs/dbraw/zinc/15/39/46/427153946.db2.gz IPRJTKHHSXQZKS-IUODEOHRSA-N 1 2 322.836 2.991 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000249949850 427153953 /nfs/dbraw/zinc/15/39/53/427153953.db2.gz IPRJTKHHSXQZKS-IUODEOHRSA-N 1 2 322.836 2.991 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(F)c(C#N)c2)CC1(C)C ZINC000296386049 427164892 /nfs/dbraw/zinc/16/48/92/427164892.db2.gz VTYYUZHVOSIJFW-AWEZNQCLSA-N 1 2 312.348 2.654 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000177270864 271181719 /nfs/dbraw/zinc/18/17/19/271181719.db2.gz IMCOQSYXDJZHOW-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000177270864 271181722 /nfs/dbraw/zinc/18/17/22/271181722.db2.gz IMCOQSYXDJZHOW-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO CC(C)c1nc(C2([NH2+]Cc3cc(C#N)n(C)c3)CCCC2)no1 ZINC000190917919 427203889 /nfs/dbraw/zinc/20/38/89/427203889.db2.gz FNGZHHNBCVKYPS-UHFFFAOYSA-N 1 2 313.405 2.962 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000292983010 427210372 /nfs/dbraw/zinc/21/03/72/427210372.db2.gz BMKYEVOAOGJEAQ-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000292983010 427210377 /nfs/dbraw/zinc/21/03/77/427210377.db2.gz BMKYEVOAOGJEAQ-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c(C#N)c1C ZINC000269538945 427221362 /nfs/dbraw/zinc/22/13/62/427221362.db2.gz UQSAGVGHWVRLQE-LLVKDONJSA-N 1 2 301.346 2.993 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)c(C#N)c1C ZINC000269538945 427221368 /nfs/dbraw/zinc/22/13/68/427221368.db2.gz UQSAGVGHWVRLQE-LLVKDONJSA-N 1 2 301.346 2.993 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000277527544 427232676 /nfs/dbraw/zinc/23/26/76/427232676.db2.gz ABGWVRCDONIUJJ-CJNGLKHVSA-N 1 2 317.433 2.933 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471552 427244147 /nfs/dbraw/zinc/24/41/47/427244147.db2.gz OENODDSQJMHOQW-BXUZGUMPSA-N 1 2 317.355 2.624 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471552 427244154 /nfs/dbraw/zinc/24/41/54/427244154.db2.gz OENODDSQJMHOQW-BXUZGUMPSA-N 1 2 317.355 2.624 20 30 DFEDLO N#CC1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000255902327 427300735 /nfs/dbraw/zinc/30/07/35/427300735.db2.gz PHLHUOLLUUWRFH-UTCJRWHESA-N 1 2 306.369 2.648 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)n1 ZINC000285724077 427319219 /nfs/dbraw/zinc/31/92/19/427319219.db2.gz QIVMNSWJVAXXNB-MRXNPFEDSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)n1 ZINC000285724077 427319224 /nfs/dbraw/zinc/31/92/24/427319224.db2.gz QIVMNSWJVAXXNB-MRXNPFEDSA-N 1 2 312.373 2.856 20 30 DFEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)CCO1 ZINC000330735975 427298830 /nfs/dbraw/zinc/29/88/30/427298830.db2.gz MQYKJHNUJDFJFA-CABCVRRESA-N 1 2 322.453 2.750 20 30 DFEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000338545592 427370810 /nfs/dbraw/zinc/37/08/10/427370810.db2.gz BCPQYFSOPHFLJH-UHFFFAOYSA-N 1 2 322.474 2.522 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(Cc2ccccc2)no1 ZINC000191596576 427384867 /nfs/dbraw/zinc/38/48/67/427384867.db2.gz AITXRUHHUSQWPV-CYBMUJFWSA-N 1 2 321.384 2.721 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)c(OC)c2)CC[S@]1=O ZINC000331268797 427386710 /nfs/dbraw/zinc/38/67/10/427386710.db2.gz JHSGMSNPDINPNV-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC[S@]1=O ZINC000331268797 427386717 /nfs/dbraw/zinc/38/67/17/427386717.db2.gz JHSGMSNPDINPNV-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO N#Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278101478 427406050 /nfs/dbraw/zinc/40/60/50/427406050.db2.gz PFNHRYKWGYSKQW-LSDHHAIUSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278101478 427406055 /nfs/dbraw/zinc/40/60/55/427406055.db2.gz PFNHRYKWGYSKQW-LSDHHAIUSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CC3CCCC3)CCO2)c1 ZINC000331467014 427417909 /nfs/dbraw/zinc/41/79/09/427417909.db2.gz VLKVGMVXACZFJK-MOPGFXCFSA-N 1 2 314.429 2.873 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CC3CCCC3)CCO2)c1 ZINC000331467014 427417914 /nfs/dbraw/zinc/41/79/14/427417914.db2.gz VLKVGMVXACZFJK-MOPGFXCFSA-N 1 2 314.429 2.873 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000270469351 427358471 /nfs/dbraw/zinc/35/84/71/427358471.db2.gz BFQYQFMYNJDLAT-UHFFFAOYSA-N 1 2 322.412 2.741 20 30 DFEDLO Cc1ccc([C@H](CNc2ccnc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000286185919 427448417 /nfs/dbraw/zinc/44/84/17/427448417.db2.gz DSZWYYUELYWMIM-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000271203143 427451496 /nfs/dbraw/zinc/45/14/96/427451496.db2.gz JIPIWWIYGRPYNK-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000271203143 427451501 /nfs/dbraw/zinc/45/15/01/427451501.db2.gz JIPIWWIYGRPYNK-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297848032 427469884 /nfs/dbraw/zinc/46/98/84/427469884.db2.gz VBCCDXJYQUNBDL-UHFFFAOYSA-N 1 2 311.307 2.613 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)o1 ZINC000278400112 427429816 /nfs/dbraw/zinc/42/98/16/427429816.db2.gz BJVBKUVCHATRJI-CYBMUJFWSA-N 1 2 301.321 2.729 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)o1 ZINC000278400112 427429822 /nfs/dbraw/zinc/42/98/22/427429822.db2.gz BJVBKUVCHATRJI-CYBMUJFWSA-N 1 2 301.321 2.729 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@@]1=O ZINC000192192728 427503071 /nfs/dbraw/zinc/50/30/71/427503071.db2.gz SUIWRBIQBVAKRT-NRFANRHFSA-N 1 2 308.422 2.820 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@@]1=O ZINC000192192728 427503077 /nfs/dbraw/zinc/50/30/77/427503077.db2.gz SUIWRBIQBVAKRT-NRFANRHFSA-N 1 2 308.422 2.820 20 30 DFEDLO C=CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C1CC1 ZINC000271355792 427507071 /nfs/dbraw/zinc/50/70/71/427507071.db2.gz DTHCYCSNZOYCQV-UHFFFAOYSA-N 1 2 315.373 2.503 20 30 DFEDLO C=CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C1CC1 ZINC000271355792 427507078 /nfs/dbraw/zinc/50/70/78/427507078.db2.gz DTHCYCSNZOYCQV-UHFFFAOYSA-N 1 2 315.373 2.503 20 30 DFEDLO CCc1nnc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034794 427537229 /nfs/dbraw/zinc/53/72/29/427537229.db2.gz BTZQDUHHWVOVLN-DOMZBBRYSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034794 427537234 /nfs/dbraw/zinc/53/72/34/427537234.db2.gz BTZQDUHHWVOVLN-DOMZBBRYSA-N 1 2 312.373 2.638 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2cc(C#N)ccc2OC)CC[S@@]1=O ZINC000185234699 427617391 /nfs/dbraw/zinc/61/73/91/427617391.db2.gz YVHVSBJMVGXYKB-QFIPXVFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2cc(C#N)ccc2OC)CC[S@@]1=O ZINC000185234699 427617402 /nfs/dbraw/zinc/61/74/02/427617402.db2.gz YVHVSBJMVGXYKB-QFIPXVFZSA-N 1 2 320.458 2.690 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000271485921 427557138 /nfs/dbraw/zinc/55/71/38/427557138.db2.gz TWIXQPUJGRLUKM-UHFFFAOYSA-N 1 2 301.358 2.833 20 30 DFEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000271485921 427557144 /nfs/dbraw/zinc/55/71/44/427557144.db2.gz TWIXQPUJGRLUKM-UHFFFAOYSA-N 1 2 301.358 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298285789 427558634 /nfs/dbraw/zinc/55/86/34/427558634.db2.gz NXWKZWRZMVFBLZ-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298285789 427558641 /nfs/dbraw/zinc/55/86/41/427558641.db2.gz NXWKZWRZMVFBLZ-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000192625347 427578331 /nfs/dbraw/zinc/57/83/31/427578331.db2.gz XVXOLGQDJARDEC-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000192625347 427578338 /nfs/dbraw/zinc/57/83/38/427578338.db2.gz XVXOLGQDJARDEC-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000332391855 427601844 /nfs/dbraw/zinc/60/18/44/427601844.db2.gz RLMKJXQPWMFOGT-OAHLLOKOSA-N 1 2 307.401 2.540 20 30 DFEDLO C=C[C@@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279431168 427672070 /nfs/dbraw/zinc/67/20/70/427672070.db2.gz YZWCPPGCRKRNPI-SJORKVTESA-N 1 2 316.445 2.525 20 30 DFEDLO C=C[C@@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279431164 427672113 /nfs/dbraw/zinc/67/21/13/427672113.db2.gz YZWCPPGCRKRNPI-IRXDYDNUSA-N 1 2 316.445 2.525 20 30 DFEDLO C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(C#N)cc1 ZINC000287706963 427676470 /nfs/dbraw/zinc/67/64/70/427676470.db2.gz URCYURMHBBYRFF-GFCCVEGCSA-N 1 2 321.371 2.713 20 30 DFEDLO Cc1cnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344074221 272257316 /nfs/dbraw/zinc/25/73/16/272257316.db2.gz QGRRNVHVNPOIMZ-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO Cc1cnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344074221 272257318 /nfs/dbraw/zinc/25/73/18/272257318.db2.gz QGRRNVHVNPOIMZ-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116869 272266790 /nfs/dbraw/zinc/26/67/90/272266790.db2.gz OBRNKRZSOWKBQL-AWEZNQCLSA-N 1 2 318.417 2.737 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116869 272266792 /nfs/dbraw/zinc/26/67/92/272266792.db2.gz OBRNKRZSOWKBQL-AWEZNQCLSA-N 1 2 318.417 2.737 20 30 DFEDLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000344160679 272276577 /nfs/dbraw/zinc/27/65/77/272276577.db2.gz FTPSQYGZPYSDSK-NWDGAFQWSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000344160679 272276578 /nfs/dbraw/zinc/27/65/78/272276578.db2.gz FTPSQYGZPYSDSK-NWDGAFQWSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cnn(C)c1 ZINC000287873795 427708305 /nfs/dbraw/zinc/70/83/05/427708305.db2.gz SLMURJCLVYIKAU-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336859883 427764674 /nfs/dbraw/zinc/76/46/74/427764674.db2.gz LSHNUKIXQVFQSS-LBPRGKRZSA-N 1 2 319.371 2.801 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336859883 427764675 /nfs/dbraw/zinc/76/46/75/427764675.db2.gz LSHNUKIXQVFQSS-LBPRGKRZSA-N 1 2 319.371 2.801 20 30 DFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299479223 427766221 /nfs/dbraw/zinc/76/62/21/427766221.db2.gz CETDTFXZIWPESN-CJNGLKHVSA-N 1 2 324.384 2.802 20 30 DFEDLO N#Cc1c(Cl)nsc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301105985 427775666 /nfs/dbraw/zinc/77/56/66/427775666.db2.gz NJVJRXMGKVHNJQ-UHFFFAOYSA-N 1 2 316.777 2.861 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000339250116 427741231 /nfs/dbraw/zinc/74/12/31/427741231.db2.gz XDCXYFTYDUAHMP-BBRMVZONSA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000339250116 427741235 /nfs/dbraw/zinc/74/12/35/427741235.db2.gz XDCXYFTYDUAHMP-BBRMVZONSA-N 1 2 317.408 2.969 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000339269823 427746418 /nfs/dbraw/zinc/74/64/18/427746418.db2.gz GADSBHZWLGBBDL-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000339269823 427746420 /nfs/dbraw/zinc/74/64/20/427746420.db2.gz GADSBHZWLGBBDL-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO CCOC(=O)N1CCC(Nc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301677329 427815513 /nfs/dbraw/zinc/81/55/13/427815513.db2.gz QMNLPSCHRMQOHK-UHFFFAOYSA-N 1 2 302.378 2.603 20 30 DFEDLO Cc1cc(N2CCN(c3cccc(O)c3)CC2)c(C#N)c(C)[nH+]1 ZINC000301752453 427821950 /nfs/dbraw/zinc/82/19/50/427821950.db2.gz BMEUPKXJCDTYCL-UHFFFAOYSA-N 1 2 308.385 2.602 20 30 DFEDLO Cc1cc(NCc2nncn2-c2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301767723 427822692 /nfs/dbraw/zinc/82/26/92/427822692.db2.gz HVXKUTIOQHQTLX-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO Cc1cc(N2CCC(C(=O)N(C)C(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301771940 427823910 /nfs/dbraw/zinc/82/39/10/427823910.db2.gz JNFVTKMUHVMACV-UHFFFAOYSA-N 1 2 314.433 2.653 20 30 DFEDLO Cc1cc(NC[C@@H](O)c2c(F)cccc2F)c(C#N)c(C)[nH+]1 ZINC000301796780 427825368 /nfs/dbraw/zinc/82/53/68/427825368.db2.gz UBPZCOXCRGFNLE-OAHLLOKOSA-N 1 2 303.312 2.994 20 30 DFEDLO N#Cc1ccccc1CSCCNc1nc[nH+]c(N)c1Cl ZINC000302771448 427866440 /nfs/dbraw/zinc/86/64/40/427866440.db2.gz CHBODFZWKDZCIT-UHFFFAOYSA-N 1 2 319.821 2.929 20 30 DFEDLO N#Cc1ccccc1CSCCNc1[nH+]cnc(N)c1Cl ZINC000302771448 427866444 /nfs/dbraw/zinc/86/64/44/427866444.db2.gz CHBODFZWKDZCIT-UHFFFAOYSA-N 1 2 319.821 2.929 20 30 DFEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000355822306 427909667 /nfs/dbraw/zinc/90/96/67/427909667.db2.gz CXUYHUWLKFXMNU-CYBMUJFWSA-N 1 2 322.290 2.742 20 30 DFEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000355822306 427909670 /nfs/dbraw/zinc/90/96/70/427909670.db2.gz CXUYHUWLKFXMNU-CYBMUJFWSA-N 1 2 322.290 2.742 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(OC(F)F)c1 ZINC000341019979 427969279 /nfs/dbraw/zinc/96/92/79/427969279.db2.gz XDWFSWZLIUGADX-AWEZNQCLSA-N 1 2 308.328 2.770 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(OC(F)F)c1 ZINC000341019979 427969284 /nfs/dbraw/zinc/96/92/84/427969284.db2.gz XDWFSWZLIUGADX-AWEZNQCLSA-N 1 2 308.328 2.770 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000337593800 427972182 /nfs/dbraw/zinc/97/21/82/427972182.db2.gz IUBXUIUDPOQVSM-HNNXBMFYSA-N 1 2 317.433 2.647 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000337593800 427972188 /nfs/dbraw/zinc/97/21/88/427972188.db2.gz IUBXUIUDPOQVSM-HNNXBMFYSA-N 1 2 317.433 2.647 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000350091289 427933160 /nfs/dbraw/zinc/93/31/60/427933160.db2.gz ZCPJKMWYSPVXQE-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000350091289 427933164 /nfs/dbraw/zinc/93/31/64/427933164.db2.gz ZCPJKMWYSPVXQE-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CC[N@@H+](Cc1cnc(N)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000340715655 427934523 /nfs/dbraw/zinc/93/45/23/427934523.db2.gz XFXBLWRXUANATC-UHFFFAOYSA-N 1 2 304.375 2.822 20 30 DFEDLO C=CC[N@H+](Cc1cnc(N)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000340715655 427934527 /nfs/dbraw/zinc/93/45/27/427934527.db2.gz XFXBLWRXUANATC-UHFFFAOYSA-N 1 2 304.375 2.822 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340191527 427954219 /nfs/dbraw/zinc/95/42/19/427954219.db2.gz IFPHXLYYMFRVMI-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340191527 427954224 /nfs/dbraw/zinc/95/42/24/427954224.db2.gz IFPHXLYYMFRVMI-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc(C#N)c1 ZINC000359848873 428044489 /nfs/dbraw/zinc/04/44/89/428044489.db2.gz OANBORRDIWJEFN-OAHLLOKOSA-N 1 2 323.396 2.599 20 30 DFEDLO C#Cc1cccc(NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000369565506 428001347 /nfs/dbraw/zinc/00/13/47/428001347.db2.gz NMZOYOBFJCZMEU-HNNXBMFYSA-N 1 2 308.385 2.591 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000341436969 428067547 /nfs/dbraw/zinc/06/75/47/428067547.db2.gz VBRBGNHAYNMOTN-HNNXBMFYSA-N 1 2 312.417 3.301 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000341436972 428068507 /nfs/dbraw/zinc/06/85/07/428068507.db2.gz VBRBGNHAYNMOTN-OAHLLOKOSA-N 1 2 312.417 3.301 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000356210450 428070843 /nfs/dbraw/zinc/07/08/43/428070843.db2.gz FGNKMCMVMNBKFG-UHFFFAOYSA-N 1 2 324.409 2.930 20 30 DFEDLO C[C@@H](CC#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369848129 428075147 /nfs/dbraw/zinc/07/51/47/428075147.db2.gz SBALWLFXLZKTKF-ZFWWWQNUSA-N 1 2 308.385 2.531 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413572450 428084058 /nfs/dbraw/zinc/08/40/58/428084058.db2.gz IJEJCFKVKLUTIH-ZBFHGGJFSA-N 1 2 312.417 2.869 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413572450 428084064 /nfs/dbraw/zinc/08/40/64/428084064.db2.gz IJEJCFKVKLUTIH-ZBFHGGJFSA-N 1 2 312.417 2.869 20 30 DFEDLO C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000360000428 428110507 /nfs/dbraw/zinc/11/05/07/428110507.db2.gz LBPTXRSHLIIDAT-AWEZNQCLSA-N 1 2 322.412 2.553 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000370020564 428114449 /nfs/dbraw/zinc/11/44/49/428114449.db2.gz NYEAYBHOLBWPDC-OAHLLOKOSA-N 1 2 302.422 2.658 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000346302581 428114914 /nfs/dbraw/zinc/11/49/14/428114914.db2.gz DXLUJRNIBDGATQ-UHFFFAOYSA-N 1 2 312.373 2.680 20 30 DFEDLO N#Cc1ccc2[nH+]cc(C=Cc3cc(=O)[nH]c(C4CC4)n3)n2c1 ZINC000352026949 428121848 /nfs/dbraw/zinc/12/18/48/428121848.db2.gz LVBOCJHQTVBZMN-PLNGDYQASA-N 1 2 303.325 2.749 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000360024679 428122022 /nfs/dbraw/zinc/12/20/22/428122022.db2.gz OENSFBSOAOKISN-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000346338803 428133242 /nfs/dbraw/zinc/13/32/42/428133242.db2.gz OREFGUHZRCRJAG-LBPRGKRZSA-N 1 2 323.183 2.949 20 30 DFEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000346338803 428133248 /nfs/dbraw/zinc/13/32/48/428133248.db2.gz OREFGUHZRCRJAG-LBPRGKRZSA-N 1 2 323.183 2.949 20 30 DFEDLO C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000360158098 428184459 /nfs/dbraw/zinc/18/44/59/428184459.db2.gz XGEKSJPWLTWWOA-CQSZACIVSA-N 1 2 308.385 2.722 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ncnn1C ZINC000356394090 428159887 /nfs/dbraw/zinc/15/98/87/428159887.db2.gz MADYEJXAHGMYOH-VIFPVBQESA-N 1 2 309.295 2.556 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1nccc(C#N)c1Cl ZINC000341740779 428176889 /nfs/dbraw/zinc/17/68/89/428176889.db2.gz IAAHAMTVSFXBDR-UHFFFAOYSA-N 1 2 311.776 3.377 20 30 DFEDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356437471 428178122 /nfs/dbraw/zinc/17/81/22/428178122.db2.gz MAUTYIXBZCHCFA-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO N#CC[C@H](CC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000356522365 428217747 /nfs/dbraw/zinc/21/77/47/428217747.db2.gz UVFGEPFECSMLEG-SJORKVTESA-N 1 2 322.412 2.964 20 30 DFEDLO N#Cc1ccnc(NCCNc2ccc3ccccc3[nH+]2)c1Cl ZINC000341827899 428218871 /nfs/dbraw/zinc/21/88/71/428218871.db2.gz SLKNHUJGSSAAGO-UHFFFAOYSA-N 1 2 323.787 2.523 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000356470362 428193547 /nfs/dbraw/zinc/19/35/47/428193547.db2.gz GCBRSOPZQBPJMH-KFWWJZLASA-N 1 2 317.433 2.742 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000356470362 428193555 /nfs/dbraw/zinc/19/35/55/428193555.db2.gz GCBRSOPZQBPJMH-KFWWJZLASA-N 1 2 317.433 2.742 20 30 DFEDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352822052 428264869 /nfs/dbraw/zinc/26/48/69/428264869.db2.gz IZIRHYPXONTNFV-SNVBAGLBSA-N 1 2 303.387 2.883 20 30 DFEDLO CCCCOc1ncccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352832173 428272237 /nfs/dbraw/zinc/27/22/37/428272237.db2.gz DPSKSCCAZSIMSK-UHFFFAOYSA-N 1 2 302.403 2.878 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)n1 ZINC000352857653 428282421 /nfs/dbraw/zinc/28/24/21/428282421.db2.gz YZIOCNPUMIRMGH-UHFFFAOYSA-N 1 2 313.430 2.690 20 30 DFEDLO Cc1csc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000352886609 428296579 /nfs/dbraw/zinc/29/65/79/428296579.db2.gz HTYYJMVSNFCQQR-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000346649535 428256149 /nfs/dbraw/zinc/25/61/49/428256149.db2.gz UWTJVRVENIYLBI-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)[nH]1 ZINC000370944860 428325905 /nfs/dbraw/zinc/32/59/05/428325905.db2.gz OTYRVOBDYPRSSU-MRXNPFEDSA-N 1 2 311.389 2.591 20 30 DFEDLO Cc1nnc([C@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)[nH]1 ZINC000370944860 428325910 /nfs/dbraw/zinc/32/59/10/428325910.db2.gz OTYRVOBDYPRSSU-MRXNPFEDSA-N 1 2 311.389 2.591 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000371042281 428347762 /nfs/dbraw/zinc/34/77/62/428347762.db2.gz IMXYYGSNMVVMPO-CQSZACIVSA-N 1 2 309.373 2.508 20 30 DFEDLO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371681384 428400048 /nfs/dbraw/zinc/40/00/48/428400048.db2.gz QIHVQHQLCXLSPO-RDTXWAMCSA-N 1 2 301.409 2.819 20 30 DFEDLO C[C@H](CCc1cccc(F)c1)[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000371681384 428400052 /nfs/dbraw/zinc/40/00/52/428400052.db2.gz QIHVQHQLCXLSPO-RDTXWAMCSA-N 1 2 301.409 2.819 20 30 DFEDLO C=CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346877468 428356785 /nfs/dbraw/zinc/35/67/85/428356785.db2.gz XNCUBOQQSIBQFN-UHFFFAOYSA-N 1 2 323.849 2.952 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346877468 428356792 /nfs/dbraw/zinc/35/67/92/428356792.db2.gz XNCUBOQQSIBQFN-UHFFFAOYSA-N 1 2 323.849 2.952 20 30 DFEDLO Cc1ccn2cc(CNC(=O)CCc3ccc(C#N)cc3)[nH+]c2c1 ZINC000342271028 428375896 /nfs/dbraw/zinc/37/58/96/428375896.db2.gz ITZKFYRKWGYELV-UHFFFAOYSA-N 1 2 318.380 2.763 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc(C#N)cs2)c1 ZINC000378378234 428383600 /nfs/dbraw/zinc/38/36/00/428383600.db2.gz OCKBRFYMCKLVSD-UHFFFAOYSA-N 1 2 322.393 2.950 20 30 DFEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2noc(CC)n2)cc1 ZINC000371381096 428384533 /nfs/dbraw/zinc/38/45/33/428384533.db2.gz CLUJLHZNQRENGR-MRXNPFEDSA-N 1 2 311.385 2.981 20 30 DFEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2noc(CC)n2)cc1 ZINC000371381096 428384536 /nfs/dbraw/zinc/38/45/36/428384536.db2.gz CLUJLHZNQRENGR-MRXNPFEDSA-N 1 2 311.385 2.981 20 30 DFEDLO C=CCSCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000357276967 428463980 /nfs/dbraw/zinc/46/39/80/428463980.db2.gz SLHUYZWCKPUQIB-UHFFFAOYSA-N 1 2 301.415 2.830 20 30 DFEDLO CN1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1Cc1ccccc1 ZINC000342838726 428467384 /nfs/dbraw/zinc/46/73/84/428467384.db2.gz DGCKSFXTOLHGLD-MRXNPFEDSA-N 1 2 311.454 2.978 20 30 DFEDLO CN1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1Cc1ccccc1 ZINC000342838726 428467387 /nfs/dbraw/zinc/46/73/87/428467387.db2.gz DGCKSFXTOLHGLD-MRXNPFEDSA-N 1 2 311.454 2.978 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000342841818 428468261 /nfs/dbraw/zinc/46/82/61/428468261.db2.gz SMUDJMOQYLSXST-UHFFFAOYSA-N 1 2 310.401 2.829 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000342841818 428468266 /nfs/dbraw/zinc/46/82/66/428468266.db2.gz SMUDJMOQYLSXST-UHFFFAOYSA-N 1 2 310.401 2.829 20 30 DFEDLO CNC(=O)C[N@H+](CCCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000342508402 428431319 /nfs/dbraw/zinc/43/13/19/428431319.db2.gz DDJVVHAYTZFQEO-UHFFFAOYSA-N 1 2 313.323 2.557 20 30 DFEDLO CNC(=O)C[N@@H+](CCCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000342508402 428431325 /nfs/dbraw/zinc/43/13/25/428431325.db2.gz DDJVVHAYTZFQEO-UHFFFAOYSA-N 1 2 313.323 2.557 20 30 DFEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000357323316 428481959 /nfs/dbraw/zinc/48/19/59/428481959.db2.gz FWDDPAOEGLIERE-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=CCCOCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342971653 428497301 /nfs/dbraw/zinc/49/73/01/428497301.db2.gz NGEGYMZFJXLGRA-QGZVFWFLSA-N 1 2 318.417 2.824 20 30 DFEDLO C#CCOc1ccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1 ZINC000373021351 428511863 /nfs/dbraw/zinc/51/18/63/428511863.db2.gz DQAOUEXYMKLPOG-UHFFFAOYSA-N 1 2 309.413 2.863 20 30 DFEDLO C#CCOc1ccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1 ZINC000373021351 428511868 /nfs/dbraw/zinc/51/18/68/428511868.db2.gz DQAOUEXYMKLPOG-UHFFFAOYSA-N 1 2 309.413 2.863 20 30 DFEDLO C#CCOc1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000373021351 428511875 /nfs/dbraw/zinc/51/18/75/428511875.db2.gz DQAOUEXYMKLPOG-UHFFFAOYSA-N 1 2 309.413 2.863 20 30 DFEDLO C=CCC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000347248393 428513414 /nfs/dbraw/zinc/51/34/14/428513414.db2.gz LTHRAKMEEKFCSJ-KGLIPLIRSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCC1(c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000347248393 428513421 /nfs/dbraw/zinc/51/34/21/428513421.db2.gz LTHRAKMEEKFCSJ-KGLIPLIRSA-N 1 2 303.406 2.993 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000343125298 428519694 /nfs/dbraw/zinc/51/96/94/428519694.db2.gz RHQNAENKUNJOAV-VQISRLSMSA-N 1 2 309.360 2.584 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000343125298 428519697 /nfs/dbraw/zinc/51/96/97/428519697.db2.gz RHQNAENKUNJOAV-VQISRLSMSA-N 1 2 309.360 2.584 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000343163529 428528903 /nfs/dbraw/zinc/52/89/03/428528903.db2.gz SSUJSWSUAVICNJ-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO COc1cc(C[NH2+]Cc2c(F)ccc(O)c2F)ccc1C#N ZINC000353553778 428590802 /nfs/dbraw/zinc/59/08/02/428590802.db2.gz GHSNFIHBNUYUJV-UHFFFAOYSA-N 1 2 304.296 2.840 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](Cc2nnnn2C)C(C)(C)C)cc1 ZINC000353487411 428559304 /nfs/dbraw/zinc/55/93/04/428559304.db2.gz AIGRIANXRYZVDC-UHFFFAOYSA-N 1 2 315.421 2.576 20 30 DFEDLO C=CCOc1ccc(C[N@H+](Cc2nnnn2C)C(C)(C)C)cc1 ZINC000353487411 428559310 /nfs/dbraw/zinc/55/93/10/428559310.db2.gz AIGRIANXRYZVDC-UHFFFAOYSA-N 1 2 315.421 2.576 20 30 DFEDLO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751765 428559690 /nfs/dbraw/zinc/55/96/90/428559690.db2.gz DUPJNDCULVMVAR-LSDHHAIUSA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751765 428559695 /nfs/dbraw/zinc/55/96/95/428559695.db2.gz DUPJNDCULVMVAR-LSDHHAIUSA-N 1 2 323.400 2.782 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849450 428600230 /nfs/dbraw/zinc/60/02/30/428600230.db2.gz MWRFVULQMWIUTD-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000361849450 428600236 /nfs/dbraw/zinc/60/02/36/428600236.db2.gz MWRFVULQMWIUTD-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)cs1 ZINC000361935042 428605955 /nfs/dbraw/zinc/60/59/55/428605955.db2.gz AYNJUDPQSYSIAO-CQSZACIVSA-N 1 2 320.462 2.741 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)cs1 ZINC000361935042 428605958 /nfs/dbraw/zinc/60/59/58/428605958.db2.gz AYNJUDPQSYSIAO-CQSZACIVSA-N 1 2 320.462 2.741 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000358558879 428608628 /nfs/dbraw/zinc/60/86/28/428608628.db2.gz GONDNKNHUWZVRY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000358558879 428608631 /nfs/dbraw/zinc/60/86/31/428608631.db2.gz GONDNKNHUWZVRY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC000353601016 428617587 /nfs/dbraw/zinc/61/75/87/428617587.db2.gz JPGZBAZRHSROKH-ZDUSSCGKSA-N 1 2 319.368 2.766 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000347687583 428619344 /nfs/dbraw/zinc/61/93/44/428619344.db2.gz JAEATUKIKYANMA-CMPLNLGQSA-N 1 2 311.307 2.926 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000347708673 428623096 /nfs/dbraw/zinc/62/30/96/428623096.db2.gz RULYUJQKNIZBEN-BFHYXJOUSA-N 1 2 301.390 2.694 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH+]1 ZINC000344088225 428623790 /nfs/dbraw/zinc/62/37/90/428623790.db2.gz QSDKRQDEUFGRAJ-UHFFFAOYSA-N 1 2 305.341 2.753 20 30 DFEDLO CCc1noc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344129792 428623903 /nfs/dbraw/zinc/62/39/03/428623903.db2.gz UXJMJHQCHDIJAP-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO CCc1noc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344129792 428623908 /nfs/dbraw/zinc/62/39/08/428623908.db2.gz UXJMJHQCHDIJAP-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000353682683 428657013 /nfs/dbraw/zinc/65/70/13/428657013.db2.gz DAWHQSOXTSCGMY-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000353682683 428657018 /nfs/dbraw/zinc/65/70/18/428657018.db2.gz DAWHQSOXTSCGMY-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO COC1(C)C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000362312634 428699245 /nfs/dbraw/zinc/69/92/45/428699245.db2.gz LYISPNLBGCLFJM-UHFFFAOYSA-N 1 2 310.401 2.684 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374638615 428718875 /nfs/dbraw/zinc/71/88/75/428718875.db2.gz VHXQCEDIWUWSRC-MAUKXSAKSA-N 1 2 317.408 2.565 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374638615 428718883 /nfs/dbraw/zinc/71/88/83/428718883.db2.gz VHXQCEDIWUWSRC-MAUKXSAKSA-N 1 2 317.408 2.565 20 30 DFEDLO N#CC[N@@H+](CCC(=O)N1CCOc2ccccc21)C1CCCC1 ZINC000348373137 428722514 /nfs/dbraw/zinc/72/25/14/428722514.db2.gz VZMDQJSXLOMPEV-UHFFFAOYSA-N 1 2 313.401 2.570 20 30 DFEDLO N#CC[N@H+](CCC(=O)N1CCOc2ccccc21)C1CCCC1 ZINC000348373137 428722521 /nfs/dbraw/zinc/72/25/21/428722521.db2.gz VZMDQJSXLOMPEV-UHFFFAOYSA-N 1 2 313.401 2.570 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000348382827 428726155 /nfs/dbraw/zinc/72/61/55/428726155.db2.gz LPKXCXAZRVHYJA-WDEREUQCSA-N 1 2 316.361 2.742 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411189132 428757608 /nfs/dbraw/zinc/75/76/08/428757608.db2.gz MRVAORPWSVVNMK-CQSZACIVSA-N 1 2 315.392 2.765 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411189132 428757613 /nfs/dbraw/zinc/75/76/13/428757613.db2.gz MRVAORPWSVVNMK-CQSZACIVSA-N 1 2 315.392 2.765 20 30 DFEDLO Cc1csc2c1C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000374836317 428760978 /nfs/dbraw/zinc/76/09/78/428760978.db2.gz NHBGODNYPWSKJS-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cc1csc2c1C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000374836317 428760983 /nfs/dbraw/zinc/76/09/83/428760983.db2.gz NHBGODNYPWSKJS-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000348542193 428777797 /nfs/dbraw/zinc/77/77/97/428777797.db2.gz BDIIRCUXGVWNNF-HTZUNMPGSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000348542193 428777799 /nfs/dbraw/zinc/77/77/99/428777799.db2.gz BDIIRCUXGVWNNF-HTZUNMPGSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411137683 428745952 /nfs/dbraw/zinc/74/59/52/428745952.db2.gz VHQBKAGHMIHCKT-MRXNPFEDSA-N 1 2 303.402 2.785 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411137683 428745955 /nfs/dbraw/zinc/74/59/55/428745955.db2.gz VHQBKAGHMIHCKT-MRXNPFEDSA-N 1 2 303.402 2.785 20 30 DFEDLO C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348589561 428796507 /nfs/dbraw/zinc/79/65/07/428796507.db2.gz PYKDYYCTGYCIET-HOTGVXAUSA-N 1 2 324.384 2.580 20 30 DFEDLO C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348589561 428796510 /nfs/dbraw/zinc/79/65/10/428796510.db2.gz PYKDYYCTGYCIET-HOTGVXAUSA-N 1 2 324.384 2.580 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000359093660 428812113 /nfs/dbraw/zinc/81/21/13/428812113.db2.gz RCVSFGCNGUHQQL-UHFFFAOYSA-N 1 2 318.340 2.897 20 30 DFEDLO C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359186520 428858830 /nfs/dbraw/zinc/85/88/30/428858830.db2.gz PYKDYYCTGYCIET-CVEARBPZSA-N 1 2 324.384 2.580 20 30 DFEDLO C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359186520 428858854 /nfs/dbraw/zinc/85/88/54/428858854.db2.gz PYKDYYCTGYCIET-CVEARBPZSA-N 1 2 324.384 2.580 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363101803 428859541 /nfs/dbraw/zinc/85/95/41/428859541.db2.gz VHXGZTLZUIOZBJ-MRXNPFEDSA-N 1 2 308.385 2.620 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363413928 428910970 /nfs/dbraw/zinc/91/09/70/428910970.db2.gz IRTAJMDEQKJZSX-MRXNPFEDSA-N 1 2 319.408 2.964 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363413928 428910975 /nfs/dbraw/zinc/91/09/75/428910975.db2.gz IRTAJMDEQKJZSX-MRXNPFEDSA-N 1 2 319.408 2.964 20 30 DFEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000375415187 428878571 /nfs/dbraw/zinc/87/85/71/428878571.db2.gz MNVNAGGZWHEHGQ-UHFFFAOYSA-N 1 2 323.799 2.795 20 30 DFEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000375415187 428878575 /nfs/dbraw/zinc/87/85/75/428878575.db2.gz MNVNAGGZWHEHGQ-UHFFFAOYSA-N 1 2 323.799 2.795 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccccc1C#N ZINC000375421333 428880273 /nfs/dbraw/zinc/88/02/73/428880273.db2.gz GHBZKUHVVBZCHX-UKRRQHHQSA-N 1 2 306.369 2.664 20 30 DFEDLO N#CC1(CCn2c3ccccc3[nH+]c2NCCO)CCCCC1 ZINC000418771591 428919773 /nfs/dbraw/zinc/91/97/73/428919773.db2.gz YBFRMXPXCMPRPS-UHFFFAOYSA-N 1 2 312.417 3.305 20 30 DFEDLO CC[N@H+](CCCNC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000419406176 428930887 /nfs/dbraw/zinc/93/08/87/428930887.db2.gz URVMZDZKOIOGRZ-UHFFFAOYSA-N 1 2 314.433 2.896 20 30 DFEDLO CC[N@@H+](CCCNC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000419406176 428930891 /nfs/dbraw/zinc/93/08/91/428930891.db2.gz URVMZDZKOIOGRZ-UHFFFAOYSA-N 1 2 314.433 2.896 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(C#N)CCCCC1)CCC2 ZINC000363506814 428931588 /nfs/dbraw/zinc/93/15/88/428931588.db2.gz OEMNQTZMXAPLBX-AWEZNQCLSA-N 1 2 300.406 2.659 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1C1CC1 ZINC000363520528 428935679 /nfs/dbraw/zinc/93/56/79/428935679.db2.gz RZBOJZYCTSSQCN-INIZCTEOSA-N 1 2 307.397 2.718 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1C1CC1 ZINC000363520528 428935684 /nfs/dbraw/zinc/93/56/84/428935684.db2.gz RZBOJZYCTSSQCN-INIZCTEOSA-N 1 2 307.397 2.718 20 30 DFEDLO N#Cc1ccc(Cl)cc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375657848 428936437 /nfs/dbraw/zinc/93/64/37/428936437.db2.gz NSIOUCYWVHFJLO-HNNXBMFYSA-N 1 2 316.792 2.885 20 30 DFEDLO C=CCCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000354274361 428949672 /nfs/dbraw/zinc/94/96/72/428949672.db2.gz AYYBPEHIDDBNAD-UHFFFAOYSA-N 1 2 302.418 2.605 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)N(CCC#N)c1ccccc1 ZINC000349252528 428950341 /nfs/dbraw/zinc/95/03/41/428950341.db2.gz UQPGSLDNUCANGB-ZIAGYGMSSA-N 1 2 312.373 2.661 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354896559 429016037 /nfs/dbraw/zinc/01/60/37/429016037.db2.gz LOQYJRHIHMWAAJ-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354896559 429016044 /nfs/dbraw/zinc/01/60/44/429016044.db2.gz LOQYJRHIHMWAAJ-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000433287275 429018099 /nfs/dbraw/zinc/01/80/99/429018099.db2.gz WRNBZRMKAFNQMD-UHFFFAOYSA-N 1 2 316.748 2.937 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000354943150 429018644 /nfs/dbraw/zinc/01/86/44/429018644.db2.gz OBJZMEQBZHNXFE-HEHGZKQESA-N 1 2 323.437 2.717 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000354943150 429018649 /nfs/dbraw/zinc/01/86/49/429018649.db2.gz OBJZMEQBZHNXFE-HEHGZKQESA-N 1 2 323.437 2.717 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2CCCC)c1 ZINC000354368354 428977198 /nfs/dbraw/zinc/97/71/98/428977198.db2.gz VKXGWAGUWQYLKF-QGZVFWFLSA-N 1 2 318.417 2.691 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CCCC)c1 ZINC000354368354 428977204 /nfs/dbraw/zinc/97/72/04/428977204.db2.gz VKXGWAGUWQYLKF-QGZVFWFLSA-N 1 2 318.417 2.691 20 30 DFEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000452039444 429042897 /nfs/dbraw/zinc/04/28/97/429042897.db2.gz OJRWPSPPNQGQQN-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000452039444 429042900 /nfs/dbraw/zinc/04/29/00/429042900.db2.gz OJRWPSPPNQGQQN-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO COc1ccc([C@H](Nc2cc(C#N)ccn2)c2[nH+]ccn2C)cc1 ZINC000376080219 429052839 /nfs/dbraw/zinc/05/28/39/429052839.db2.gz NCACNPLUBYTCIQ-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2ncnn2CC)ccc1OC ZINC000355576503 429053691 /nfs/dbraw/zinc/05/36/91/429053691.db2.gz CARMRWDHNDPICJ-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452093171 429053721 /nfs/dbraw/zinc/05/37/21/429053721.db2.gz IOGJPPPVKWHMTC-UONOGXRCSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452093171 429053724 /nfs/dbraw/zinc/05/37/24/429053724.db2.gz IOGJPPPVKWHMTC-UONOGXRCSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)nn1 ZINC000424295940 429121407 /nfs/dbraw/zinc/12/14/07/429121407.db2.gz NUKBYRYBTAFGGV-OAHLLOKOSA-N 1 2 300.410 2.598 20 30 DFEDLO C=CCn1cc(CN[C@@H](c2[nH]cc[nH+]2)C2CCCCC2)nn1 ZINC000424295940 429121409 /nfs/dbraw/zinc/12/14/09/429121409.db2.gz NUKBYRYBTAFGGV-OAHLLOKOSA-N 1 2 300.410 2.598 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000454223036 429162101 /nfs/dbraw/zinc/16/21/01/429162101.db2.gz FMIDRCMZCIKLBJ-UHFFFAOYSA-N 1 2 302.422 2.693 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000454905433 429175134 /nfs/dbraw/zinc/17/51/34/429175134.db2.gz GWHOISXDPLGFEP-HSBZDZAISA-N 1 2 303.410 2.593 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000454979707 429177193 /nfs/dbraw/zinc/17/71/93/429177193.db2.gz QNBZFTCQPZNVHJ-AWEZNQCLSA-N 1 2 324.384 2.743 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000456014239 429231823 /nfs/dbraw/zinc/23/18/23/429231823.db2.gz XIFJQVOELYXNIK-MRXNPFEDSA-N 1 2 309.373 2.760 20 30 DFEDLO C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000455731963 429204472 /nfs/dbraw/zinc/20/44/72/429204472.db2.gz KTFXNXFRXABYLS-OAHLLOKOSA-N 1 2 324.428 2.776 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nnc(CCCC)s1 ZINC000489440253 429242473 /nfs/dbraw/zinc/24/24/73/429242473.db2.gz BEYVAMXMFJBMAY-GFCCVEGCSA-N 1 2 308.451 2.860 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(CCCC)s1 ZINC000489440253 429242476 /nfs/dbraw/zinc/24/24/76/429242476.db2.gz BEYVAMXMFJBMAY-GFCCVEGCSA-N 1 2 308.451 2.860 20 30 DFEDLO COCC[N@H+](CC#Cc1ccccc1)Cc1scnc1C ZINC000489467810 429244790 /nfs/dbraw/zinc/24/47/90/429244790.db2.gz WBPLGRGDDGEGGP-UHFFFAOYSA-N 1 2 300.427 2.952 20 30 DFEDLO COCC[N@@H+](CC#Cc1ccccc1)Cc1scnc1C ZINC000489467810 429244793 /nfs/dbraw/zinc/24/47/93/429244793.db2.gz WBPLGRGDDGEGGP-UHFFFAOYSA-N 1 2 300.427 2.952 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(C#N)c[nH+]1 ZINC000425228406 429248573 /nfs/dbraw/zinc/24/85/73/429248573.db2.gz BCTNZGRLEFOVJM-CYBMUJFWSA-N 1 2 314.339 2.653 20 30 DFEDLO Cc1cc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)c(C#N)c[nH+]1 ZINC000425259509 429253070 /nfs/dbraw/zinc/25/30/70/429253070.db2.gz MFGLHAFLMQMWQN-AWEZNQCLSA-N 1 2 324.384 2.501 20 30 DFEDLO CC(C)(CC#N)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425317816 429261747 /nfs/dbraw/zinc/26/17/47/429261747.db2.gz SHMZGVLJXVPCNY-HNNXBMFYSA-N 1 2 310.401 2.988 20 30 DFEDLO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccnn1C ZINC000489836031 429264396 /nfs/dbraw/zinc/26/43/96/429264396.db2.gz FFYBYGBTCFBVER-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccnn1C ZINC000489836031 429264400 /nfs/dbraw/zinc/26/44/00/429264400.db2.gz FFYBYGBTCFBVER-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000364845261 429267154 /nfs/dbraw/zinc/26/71/54/429267154.db2.gz HAGUUGUWZJMAQQ-MRXNPFEDSA-N 1 2 324.432 2.552 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000364845261 429267156 /nfs/dbraw/zinc/26/71/56/429267156.db2.gz HAGUUGUWZJMAQQ-MRXNPFEDSA-N 1 2 324.432 2.552 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000425339276 429270106 /nfs/dbraw/zinc/27/01/06/429270106.db2.gz ROOMFPSQMJGXGQ-MSOLQXFVSA-N 1 2 323.444 2.758 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000425339276 429270109 /nfs/dbraw/zinc/27/01/09/429270109.db2.gz ROOMFPSQMJGXGQ-MSOLQXFVSA-N 1 2 323.444 2.758 20 30 DFEDLO Cc1cc(C)cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000444688896 429274143 /nfs/dbraw/zinc/27/41/43/429274143.db2.gz DNFBCWYFLQMRGM-SFHVURJKSA-N 1 2 307.397 2.834 20 30 DFEDLO Cc1cc(C)cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000444688896 429274149 /nfs/dbraw/zinc/27/41/49/429274149.db2.gz DNFBCWYFLQMRGM-SFHVURJKSA-N 1 2 307.397 2.834 20 30 DFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(F)cc(F)c1 ZINC000444716628 429274524 /nfs/dbraw/zinc/27/45/24/429274524.db2.gz PUGPOKPOWFATOD-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(F)cc(F)c1 ZINC000444716628 429274529 /nfs/dbraw/zinc/27/45/29/429274529.db2.gz PUGPOKPOWFATOD-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000491231913 429337841 /nfs/dbraw/zinc/33/78/41/429337841.db2.gz WSWXECBUPOLKOV-UHFFFAOYSA-N 1 2 309.413 2.648 20 30 DFEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000491231913 429337844 /nfs/dbraw/zinc/33/78/44/429337844.db2.gz WSWXECBUPOLKOV-UHFFFAOYSA-N 1 2 309.413 2.648 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000445994312 429294656 /nfs/dbraw/zinc/29/46/56/429294656.db2.gz WFTDBTQAQSAUJR-MRXNPFEDSA-N 1 2 304.821 2.538 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000445994312 429294660 /nfs/dbraw/zinc/29/46/60/429294660.db2.gz WFTDBTQAQSAUJR-MRXNPFEDSA-N 1 2 304.821 2.538 20 30 DFEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000445902768 429294935 /nfs/dbraw/zinc/29/49/35/429294935.db2.gz GMWICFLTJLMRLA-QGZVFWFLSA-N 1 2 304.821 2.682 20 30 DFEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000445902768 429294938 /nfs/dbraw/zinc/29/49/38/429294938.db2.gz GMWICFLTJLMRLA-QGZVFWFLSA-N 1 2 304.821 2.682 20 30 DFEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000490680061 429299217 /nfs/dbraw/zinc/29/92/17/429299217.db2.gz XJXFOYABXCUORO-UHFFFAOYSA-N 1 2 308.425 2.771 20 30 DFEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000490680061 429299220 /nfs/dbraw/zinc/29/92/20/429299220.db2.gz XJXFOYABXCUORO-UHFFFAOYSA-N 1 2 308.425 2.771 20 30 DFEDLO C#CCN(CC#CC)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000490674299 429300094 /nfs/dbraw/zinc/30/00/94/429300094.db2.gz AOKPJORDKKDOAT-UHFFFAOYSA-N 1 2 304.349 2.973 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000456426090 429304720 /nfs/dbraw/zinc/30/47/20/429304720.db2.gz QKZHDOVILCXEIX-DOMZBBRYSA-N 1 2 306.369 2.609 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)c2[nH+]ccn21 ZINC000456427576 429304740 /nfs/dbraw/zinc/30/47/40/429304740.db2.gz RBQMLGSIBOKDKL-RISCZKNCSA-N 1 2 312.398 2.935 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccccc1C#N ZINC000365378434 429309391 /nfs/dbraw/zinc/30/93/91/429309391.db2.gz LKDNGNXDNQCYHL-MDZDMXLPSA-N 1 2 320.396 2.763 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000491738253 429399680 /nfs/dbraw/zinc/39/96/80/429399680.db2.gz HWFFVESWGYVVHF-JKSUJKDBSA-N 1 2 324.428 2.857 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000491744211 429400915 /nfs/dbraw/zinc/40/09/15/429400915.db2.gz YPKVCJPZWSFVEI-XJKSGUPXSA-N 1 2 313.788 2.590 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000491418800 429358040 /nfs/dbraw/zinc/35/80/40/429358040.db2.gz PHMWWBBWNUFQSQ-WAYWQWQTSA-N 1 2 306.369 2.632 20 30 DFEDLO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491406492 429358506 /nfs/dbraw/zinc/35/85/06/429358506.db2.gz OASQQIITJAYZOA-IUODEOHRSA-N 1 2 301.777 2.978 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491465138 429362687 /nfs/dbraw/zinc/36/26/87/429362687.db2.gz VHKQBMVLGJLBTG-ZDUSSCGKSA-N 1 2 313.426 2.527 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491465138 429362694 /nfs/dbraw/zinc/36/26/94/429362694.db2.gz VHKQBMVLGJLBTG-ZDUSSCGKSA-N 1 2 313.426 2.527 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)CCCCC1 ZINC000514989347 429373005 /nfs/dbraw/zinc/37/30/05/429373005.db2.gz DGGKFMKGHHOXRJ-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)CCCCC1 ZINC000514989347 429373008 /nfs/dbraw/zinc/37/30/08/429373008.db2.gz DGGKFMKGHHOXRJ-UHFFFAOYSA-N 1 2 324.428 2.513 20 30 DFEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(O[C@H]2CCOC2)c1 ZINC000515007433 429373241 /nfs/dbraw/zinc/37/32/41/429373241.db2.gz KWAVJJXKQDCBOM-RDJZCZTQSA-N 1 2 313.401 2.696 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000366401254 429449371 /nfs/dbraw/zinc/44/93/71/429449371.db2.gz INKPAXPOWJUSCG-DLBZAZTESA-N 1 2 308.385 2.641 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366401254 429449376 /nfs/dbraw/zinc/44/93/76/429449376.db2.gz INKPAXPOWJUSCG-DLBZAZTESA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1nn(C)c(CNc2cc(CC#N)cc[nH+]2)c1Br ZINC000519521065 429461374 /nfs/dbraw/zinc/46/13/74/429461374.db2.gz JLMRWLGUACCNOL-UHFFFAOYSA-N 1 2 320.194 2.564 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491816428 429414104 /nfs/dbraw/zinc/41/41/04/429414104.db2.gz WSFGZKMHMWXGDW-DOMZBBRYSA-N 1 2 316.792 2.599 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(C#N)nc1 ZINC000366541218 429472147 /nfs/dbraw/zinc/47/21/47/429472147.db2.gz RAGSNQMVEOWBEQ-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)CC(C)(C)C#N ZINC000457514045 429478296 /nfs/dbraw/zinc/47/82/96/429478296.db2.gz HCEXNDJAFNFZBP-UHFFFAOYSA-N 1 2 313.405 2.536 20 30 DFEDLO Cn1cc([C@]2(C)C[N@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000520188998 429501415 /nfs/dbraw/zinc/50/14/15/429501415.db2.gz DRQDGFNVBZATKV-KRWDZBQOSA-N 1 2 316.449 2.832 20 30 DFEDLO Cn1cc([C@]2(C)C[N@@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000520188998 429501419 /nfs/dbraw/zinc/50/14/19/429501419.db2.gz DRQDGFNVBZATKV-KRWDZBQOSA-N 1 2 316.449 2.832 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238578 429504329 /nfs/dbraw/zinc/50/43/29/429504329.db2.gz NXZVFABSXWCHAR-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238578 429504331 /nfs/dbraw/zinc/50/43/31/429504331.db2.gz NXZVFABSXWCHAR-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026155 429561475 /nfs/dbraw/zinc/56/14/75/429561475.db2.gz KCCOBNQMHYOPTK-MSOLQXFVSA-N 1 2 317.408 2.612 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026155 429561477 /nfs/dbraw/zinc/56/14/77/429561477.db2.gz KCCOBNQMHYOPTK-MSOLQXFVSA-N 1 2 317.408 2.612 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000522004858 429573315 /nfs/dbraw/zinc/57/33/15/429573315.db2.gz AKYKIZFAKNXPIK-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000522004858 429573318 /nfs/dbraw/zinc/57/33/18/429573318.db2.gz AKYKIZFAKNXPIK-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO N#Cc1ccnc(NC2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000429190207 429585094 /nfs/dbraw/zinc/58/50/94/429585094.db2.gz DOXACAQQZKFQSK-UHFFFAOYSA-N 1 2 313.792 3.083 20 30 DFEDLO COCC1(C#N)CCN(c2[nH+]ccc3c(OC)cccc32)CC1 ZINC000450511502 429642366 /nfs/dbraw/zinc/64/23/66/429642366.db2.gz BEDOPFCNRJFMID-UHFFFAOYSA-N 1 2 311.385 3.000 20 30 DFEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)nc2ccccc12 ZINC000522904402 429597667 /nfs/dbraw/zinc/59/76/67/429597667.db2.gz PJEQKJWVDSEFKF-UHFFFAOYSA-N 1 2 313.364 3.409 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000523449806 429606566 /nfs/dbraw/zinc/60/65/66/429606566.db2.gz YQBWVUDVLKAYIC-KPZWWZAWSA-N 1 2 315.392 2.553 20 30 DFEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000523449806 429606570 /nfs/dbraw/zinc/60/65/70/429606570.db2.gz YQBWVUDVLKAYIC-KPZWWZAWSA-N 1 2 315.392 2.553 20 30 DFEDLO C[C@@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000450379923 429613582 /nfs/dbraw/zinc/61/35/82/429613582.db2.gz QFBFFFBDDVUZLP-DOMZBBRYSA-N 1 2 311.345 2.750 20 30 DFEDLO CC1=C[C@H](C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266099 429670582 /nfs/dbraw/zinc/67/05/82/429670582.db2.gz GIYTVCKZXIYJGP-FZMZJTMJSA-N 1 2 301.415 2.623 20 30 DFEDLO CC1=C[C@H](C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266099 429670584 /nfs/dbraw/zinc/67/05/84/429670584.db2.gz GIYTVCKZXIYJGP-FZMZJTMJSA-N 1 2 301.415 2.623 20 30 DFEDLO CN1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000459339365 429696361 /nfs/dbraw/zinc/69/63/61/429696361.db2.gz NRAWFCTVPZKAGE-UHFFFAOYSA-N 1 2 322.368 2.918 20 30 DFEDLO CN1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000459339365 429696369 /nfs/dbraw/zinc/69/63/69/429696369.db2.gz NRAWFCTVPZKAGE-UHFFFAOYSA-N 1 2 322.368 2.918 20 30 DFEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000459516966 429700039 /nfs/dbraw/zinc/70/00/39/429700039.db2.gz FBNFSFKOBVATAZ-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000459516966 429700044 /nfs/dbraw/zinc/70/00/44/429700044.db2.gz FBNFSFKOBVATAZ-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO CC(=O)Nc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459620321 429700646 /nfs/dbraw/zinc/70/06/46/429700646.db2.gz VPIYNEMMWAXTAB-UHFFFAOYSA-N 1 2 321.380 2.780 20 30 DFEDLO COc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1C#N ZINC000459603579 429700656 /nfs/dbraw/zinc/70/06/56/429700656.db2.gz AKTQJCIIBZTWGZ-UHFFFAOYSA-N 1 2 319.364 2.702 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000450832125 429708268 /nfs/dbraw/zinc/70/82/68/429708268.db2.gz QNQBINAQLWCROQ-VIFPVBQESA-N 1 2 309.295 3.362 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000475399584 429715975 /nfs/dbraw/zinc/71/59/75/429715975.db2.gz JCVMWVVRTLHLJH-DZGCQCFKSA-N 1 2 305.805 2.823 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000475399584 429715979 /nfs/dbraw/zinc/71/59/79/429715979.db2.gz JCVMWVVRTLHLJH-DZGCQCFKSA-N 1 2 305.805 2.823 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000482452043 429725835 /nfs/dbraw/zinc/72/58/35/429725835.db2.gz UAHSMKVZSKKNCB-KURKYZTESA-N 1 2 317.429 2.965 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1)C1CC1 ZINC000367866823 429733746 /nfs/dbraw/zinc/73/37/46/429733746.db2.gz VPEYIPKBFHXLDR-RDJZCZTQSA-N 1 2 317.458 2.939 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1)C1CC1 ZINC000367866823 429733750 /nfs/dbraw/zinc/73/37/50/429733750.db2.gz VPEYIPKBFHXLDR-RDJZCZTQSA-N 1 2 317.458 2.939 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1(C#N)CCC1)C2 ZINC000527506320 429754362 /nfs/dbraw/zinc/75/43/62/429754362.db2.gz YFEQWFXGGXNKIV-GFCCVEGCSA-N 1 2 300.406 2.543 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1(C#N)CCC1)CC2 ZINC000527506320 429754367 /nfs/dbraw/zinc/75/43/67/429754367.db2.gz YFEQWFXGGXNKIV-GFCCVEGCSA-N 1 2 300.406 2.543 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc(OCC#N)cc2)[nH+]1 ZINC000493432066 429762003 /nfs/dbraw/zinc/76/20/03/429762003.db2.gz KHQKLBLTQIEBNQ-TWGQIWQCSA-N 1 2 324.384 2.685 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000527621282 429768088 /nfs/dbraw/zinc/76/80/88/429768088.db2.gz FATXVBIEOLMZMU-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000527621282 429768093 /nfs/dbraw/zinc/76/80/93/429768093.db2.gz FATXVBIEOLMZMU-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527686362 429779066 /nfs/dbraw/zinc/77/90/66/429779066.db2.gz PVCRAWKCEQRKBF-UHFFFAOYSA-N 1 2 324.428 2.532 20 30 DFEDLO N#CC1(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000493814178 429833403 /nfs/dbraw/zinc/83/34/03/429833403.db2.gz DOFFXNCQLRRRAB-DAXSKMNVSA-N 1 2 306.369 2.696 20 30 DFEDLO CC(C)n1nccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000368439184 429849886 /nfs/dbraw/zinc/84/98/86/429849886.db2.gz RRDGSRCBZDKCQK-SFHVURJKSA-N 1 2 310.401 2.909 20 30 DFEDLO CC(C)n1nccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000368439184 429849888 /nfs/dbraw/zinc/84/98/88/429849888.db2.gz RRDGSRCBZDKCQK-SFHVURJKSA-N 1 2 310.401 2.909 20 30 DFEDLO N#Cc1ccsc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368772696 429893115 /nfs/dbraw/zinc/89/31/15/429893115.db2.gz MWFJIBUUZPFUTN-CYBMUJFWSA-N 1 2 312.398 2.870 20 30 DFEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(OCc2cccnc2)c1 ZINC000573551582 429959588 /nfs/dbraw/zinc/95/95/88/429959588.db2.gz ZASPOWVPTGYYKS-CQSZACIVSA-N 1 2 311.385 2.918 20 30 DFEDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103514 429962051 /nfs/dbraw/zinc/96/20/51/429962051.db2.gz KOWHTITWSUDFOH-VXGBXAGGSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103514 429962055 /nfs/dbraw/zinc/96/20/55/429962055.db2.gz KOWHTITWSUDFOH-VXGBXAGGSA-N 1 2 323.234 2.914 20 30 DFEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000557484120 429941825 /nfs/dbraw/zinc/94/18/25/429941825.db2.gz DXJIUXZQHVBPNR-OAHLLOKOSA-N 1 2 304.357 2.592 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810965 429988425 /nfs/dbraw/zinc/98/84/25/429988425.db2.gz NMQZKYAWMXLSBK-ZDUSSCGKSA-N 1 2 313.323 2.951 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810965 429988429 /nfs/dbraw/zinc/98/84/29/429988429.db2.gz NMQZKYAWMXLSBK-ZDUSSCGKSA-N 1 2 313.323 2.951 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000639921155 430022243 /nfs/dbraw/zinc/02/22/43/430022243.db2.gz RUZSJKREBHSYLB-INIZCTEOSA-N 1 2 320.481 2.765 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639921155 430022249 /nfs/dbraw/zinc/02/22/49/430022249.db2.gz RUZSJKREBHSYLB-INIZCTEOSA-N 1 2 320.481 2.765 20 30 DFEDLO C[C@@H](CSCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576044448 430101706 /nfs/dbraw/zinc/10/17/06/430101706.db2.gz UAPDQFYYXBNWFB-WMLDXEAASA-N 1 2 319.474 2.516 20 30 DFEDLO C[C@H](CSCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576044446 430101777 /nfs/dbraw/zinc/10/17/77/430101777.db2.gz UAPDQFYYXBNWFB-PBHICJAKSA-N 1 2 319.474 2.516 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000576339427 430105858 /nfs/dbraw/zinc/10/58/58/430105858.db2.gz OHCJCEYKESCVGF-ZBFHGGJFSA-N 1 2 318.417 2.647 20 30 DFEDLO CC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000576994975 430110328 /nfs/dbraw/zinc/11/03/28/430110328.db2.gz ZBDPRQUMJWROOV-QAPCUYQASA-N 1 2 301.434 2.839 20 30 DFEDLO CCCn1ccc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000574686333 430051447 /nfs/dbraw/zinc/05/14/47/430051447.db2.gz QCUPOCXQJXZAJQ-KRWDZBQOSA-N 1 2 314.433 2.670 20 30 DFEDLO CCCn1ccc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000574686333 430051450 /nfs/dbraw/zinc/05/14/50/430051450.db2.gz QCUPOCXQJXZAJQ-KRWDZBQOSA-N 1 2 314.433 2.670 20 30 DFEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1ccc(C#N)s1 ZINC000580962600 430165181 /nfs/dbraw/zinc/16/51/81/430165181.db2.gz HKIMZMQDDHEDEH-UHFFFAOYSA-N 1 2 300.387 3.216 20 30 DFEDLO Cc1cc(N2CCC(Oc3ncccc3F)CC2)c(C#N)c[nH+]1 ZINC000581128377 430180227 /nfs/dbraw/zinc/18/02/27/430180227.db2.gz ZSBQLFHVTZMMNI-UHFFFAOYSA-N 1 2 312.348 2.844 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000563368552 430183297 /nfs/dbraw/zinc/18/32/97/430183297.db2.gz XHUFYZJXNYCNID-AWEZNQCLSA-N 1 2 313.357 2.910 20 30 DFEDLO N#CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000540992838 430183352 /nfs/dbraw/zinc/18/33/52/430183352.db2.gz KIRPEPZUJGLUEK-UHFFFAOYSA-N 1 2 323.400 2.708 20 30 DFEDLO C=CCCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566434978 430262589 /nfs/dbraw/zinc/26/25/89/430262589.db2.gz KZCMAFSSWFIEFK-MRXNPFEDSA-N 1 2 303.406 2.991 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566564281 430269323 /nfs/dbraw/zinc/26/93/23/430269323.db2.gz TWASJGLATAKWNJ-HNNXBMFYSA-N 1 2 302.422 2.624 20 30 DFEDLO Cc1cccc(OCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567995693 430303587 /nfs/dbraw/zinc/30/35/87/430303587.db2.gz SESKUUPBHOHEDL-GOSISDBHSA-N 1 2 317.433 2.504 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000568181205 430327108 /nfs/dbraw/zinc/32/71/08/430327108.db2.gz NMGHLKWCWCXDBJ-LLVKDONJSA-N 1 2 302.403 2.541 20 30 DFEDLO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2[nH+]ccn21 ZINC000568474479 430359933 /nfs/dbraw/zinc/35/99/33/430359933.db2.gz SWLYXODCLXUEGN-WCBMZHEXSA-N 1 2 307.279 3.286 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000568516477 430367813 /nfs/dbraw/zinc/36/78/13/430367813.db2.gz BOSPXUSJHAAVQM-HNNXBMFYSA-N 1 2 311.345 2.917 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000568516477 430367816 /nfs/dbraw/zinc/36/78/16/430367816.db2.gz BOSPXUSJHAAVQM-HNNXBMFYSA-N 1 2 311.345 2.917 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568897805 430404051 /nfs/dbraw/zinc/40/40/51/430404051.db2.gz CFZIZYULEHLPLO-PWSUYJOCSA-N 1 2 304.781 2.821 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583567188 430407566 /nfs/dbraw/zinc/40/75/66/430407566.db2.gz MEDHKWABKOVJHP-ZDUSSCGKSA-N 1 2 301.415 2.722 20 30 DFEDLO CC(C)[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000583938441 430443618 /nfs/dbraw/zinc/44/36/18/430443618.db2.gz XLCZVSZDUYFVFJ-FUHWJXTLSA-N 1 2 301.434 2.776 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000569441005 430453609 /nfs/dbraw/zinc/45/36/09/430453609.db2.gz WEWZMTFGFPGDKX-MFKMUULPSA-N 1 2 311.345 2.591 20 30 DFEDLO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635986213 430429850 /nfs/dbraw/zinc/42/98/50/430429850.db2.gz CDESUXDHMSGJMR-MRXNPFEDSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CC(C)(C)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635986213 430429853 /nfs/dbraw/zinc/42/98/53/430429853.db2.gz CDESUXDHMSGJMR-MRXNPFEDSA-N 1 2 302.418 2.598 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000569845332 430491280 /nfs/dbraw/zinc/49/12/80/430491280.db2.gz HOTBWRBSIKQAOP-RISCZKNCSA-N 1 2 322.206 2.516 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754423 430497486 /nfs/dbraw/zinc/49/74/86/430497486.db2.gz IVRNZTPGEPMCML-AXFHLTTASA-N 1 2 303.431 2.918 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754423 430497487 /nfs/dbraw/zinc/49/74/87/430497487.db2.gz IVRNZTPGEPMCML-AXFHLTTASA-N 1 2 303.431 2.918 20 30 DFEDLO Cc1cc(Nc2cc(C#N)cnn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000596188135 430509508 /nfs/dbraw/zinc/50/95/08/430509508.db2.gz BOLRMGCNNZALJL-ZDUSSCGKSA-N 1 2 308.389 3.174 20 30 DFEDLO N#Cc1cnnc(N[C@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000596285789 430512298 /nfs/dbraw/zinc/51/22/98/430512298.db2.gz DDJPAAWJTXJKFB-KBPBESRZSA-N 1 2 318.384 3.363 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1C#N ZINC000599314689 430529537 /nfs/dbraw/zinc/52/95/37/430529537.db2.gz IEAQPKVHXRGQJT-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO N#Cc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1Cl ZINC000619747263 430597304 /nfs/dbraw/zinc/59/73/04/430597304.db2.gz PZJVSAXFTYWOCS-UHFFFAOYSA-N 1 2 309.760 2.771 20 30 DFEDLO N#Cc1ccc2nc(NCc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000552462767 430598752 /nfs/dbraw/zinc/59/87/52/430598752.db2.gz KFUMOTPUKHKELL-UHFFFAOYSA-N 1 2 303.369 3.251 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(C(F)(F)F)C1 ZINC000571612463 430640078 /nfs/dbraw/zinc/64/00/78/430640078.db2.gz JEZQWYVHGMZEDO-CQSZACIVSA-N 1 2 315.335 2.649 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980831 278064143 /nfs/dbraw/zinc/06/41/43/278064143.db2.gz ZMSVPQYFDCBTPU-VKJFTORMSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980831 278064145 /nfs/dbraw/zinc/06/41/45/278064145.db2.gz ZMSVPQYFDCBTPU-VKJFTORMSA-N 1 2 319.832 2.960 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000661508829 430742730 /nfs/dbraw/zinc/74/27/30/430742730.db2.gz QZLLYKFADCXTPO-MJEQTWJJSA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCCCCCNC(=O)N1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000654667046 430772555 /nfs/dbraw/zinc/77/25/55/430772555.db2.gz OLKNGHWYXCXFFT-KGLIPLIRSA-N 1 2 306.410 2.628 20 30 DFEDLO C=C(C)C[C@@H](NC(C)=O)c1nc(CCc2[nH+]cccc2C)no1 ZINC000664896184 430773743 /nfs/dbraw/zinc/77/37/43/430773743.db2.gz FDCPXJDQQRKOEM-OAHLLOKOSA-N 1 2 314.389 2.702 20 30 DFEDLO C=C(C)C[C@H](NC(C)=O)c1nc(CCc2[nH+]cccc2C)no1 ZINC000664896183 430774212 /nfs/dbraw/zinc/77/42/12/430774212.db2.gz FDCPXJDQQRKOEM-HNNXBMFYSA-N 1 2 314.389 2.702 20 30 DFEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000645143635 430914933 /nfs/dbraw/zinc/91/49/33/430914933.db2.gz JSFKYYJBBBBETC-AWEZNQCLSA-N 1 2 309.207 2.631 20 30 DFEDLO COCC#CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000645143635 430914937 /nfs/dbraw/zinc/91/49/37/430914937.db2.gz JSFKYYJBBBBETC-AWEZNQCLSA-N 1 2 309.207 2.631 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665616372 430984240 /nfs/dbraw/zinc/98/42/40/430984240.db2.gz CIRCMWXVZUKOJA-INIZCTEOSA-N 1 2 314.433 2.932 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000645262138 430954439 /nfs/dbraw/zinc/95/44/39/430954439.db2.gz MDMXEIIMVGWCHU-UHFFFAOYSA-N 1 2 309.291 2.809 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000645262138 430954443 /nfs/dbraw/zinc/95/44/43/430954443.db2.gz MDMXEIIMVGWCHU-UHFFFAOYSA-N 1 2 309.291 2.809 20 30 DFEDLO CC#CC[C@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000649187535 431024517 /nfs/dbraw/zinc/02/45/17/431024517.db2.gz RTNSTQUFAPUIQQ-MRXNPFEDSA-N 1 2 324.380 2.686 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645925464 431115215 /nfs/dbraw/zinc/11/52/15/431115215.db2.gz RXTMJAASWORCBF-NEPJUHHUSA-N 1 2 323.755 2.962 20 30 DFEDLO C=CCOCCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000665975130 431081290 /nfs/dbraw/zinc/08/12/90/431081290.db2.gz FRGJPQUOFUHACS-UHFFFAOYSA-N 1 2 314.389 2.801 20 30 DFEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)nn1 ZINC000653492406 431401003 /nfs/dbraw/zinc/40/10/03/431401003.db2.gz KUHIUJQJYMGFDA-UHFFFAOYSA-N 1 2 314.389 2.605 20 30 DFEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)nn1 ZINC000653492406 431401009 /nfs/dbraw/zinc/40/10/09/431401009.db2.gz KUHIUJQJYMGFDA-UHFFFAOYSA-N 1 2 314.389 2.605 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2c(F)cccc2OC)nn1 ZINC000653606645 431456619 /nfs/dbraw/zinc/45/66/19/431456619.db2.gz WJBHGIWSSNFCPT-LBPRGKRZSA-N 1 2 304.369 2.853 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CCN2CCn3c[nH+]cc3C2)cc1 ZINC000660581994 431501706 /nfs/dbraw/zinc/50/17/06/431501706.db2.gz JNMQMLBRJNCDRD-UHFFFAOYSA-N 1 2 321.302 2.649 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663776976 431533871 /nfs/dbraw/zinc/53/38/71/431533871.db2.gz VDXAHRFMXIIYIR-CQSZACIVSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663776976 431533878 /nfs/dbraw/zinc/53/38/78/431533878.db2.gz VDXAHRFMXIIYIR-CQSZACIVSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664589620 431824980 /nfs/dbraw/zinc/82/49/80/431824980.db2.gz LCNCLJAKHCJZHM-UONOGXRCSA-N 1 2 322.453 2.524 20 30 DFEDLO Cc1nc(N2CCCN(c3ccccc3C#N)CC2)c(C)c(C)[nH+]1 ZINC000301701996 281865403 /nfs/dbraw/zinc/86/54/03/281865403.db2.gz TYCPMKZKZNOBRR-UHFFFAOYSA-N 1 2 321.428 2.990 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000370575643 294917158 /nfs/dbraw/zinc/91/71/58/294917158.db2.gz KPMNUZQDOMKETJ-CYBMUJFWSA-N 1 2 300.749 2.912 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000537551443 301302146 /nfs/dbraw/zinc/30/21/46/301302146.db2.gz WMFMMPYDLXAVHN-UHFFFAOYSA-N 1 2 308.366 2.940 20 30 DFEDLO Cc1cccn2cc(CC(=O)N3CCc4ccc(C#N)cc43)[nH+]c12 ZINC000550154527 301646701 /nfs/dbraw/zinc/64/67/01/301646701.db2.gz ILIIGGGMEHPPKT-UHFFFAOYSA-N 1 2 316.364 2.646 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919955 302174108 /nfs/dbraw/zinc/17/41/08/302174108.db2.gz CQVWQHCOJRZKOB-ROUUACIJSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919955 302174112 /nfs/dbraw/zinc/17/41/12/302174112.db2.gz CQVWQHCOJRZKOB-ROUUACIJSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919953 302174131 /nfs/dbraw/zinc/17/41/31/302174131.db2.gz CQVWQHCOJRZKOB-MSOLQXFVSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919953 302174133 /nfs/dbraw/zinc/17/41/33/302174133.db2.gz CQVWQHCOJRZKOB-MSOLQXFVSA-N 1 2 321.380 2.657 20 30 DFEDLO Cn1c2ccc(CNc3ccncc3C#N)cc2[nH+]c1C1CC1 ZINC000569120497 302500830 /nfs/dbraw/zinc/50/08/30/302500830.db2.gz JFLCNGBGMWVFHO-UHFFFAOYSA-N 1 2 303.369 2.751 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnnn1-c1ccccc1 ZINC000174061754 315960434 /nfs/dbraw/zinc/96/04/34/315960434.db2.gz USMXWHGNHJBGIQ-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181319781 316056971 /nfs/dbraw/zinc/05/69/71/316056971.db2.gz GLIXIVZYUZSNQB-LBPRGKRZSA-N 1 2 305.341 2.563 20 30 DFEDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cnn1C ZINC000183343289 316138699 /nfs/dbraw/zinc/13/86/99/316138699.db2.gz UGYKUMDRXOBFDY-LLVKDONJSA-N 1 2 322.372 2.501 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)nc1 ZINC000574864035 318045351 /nfs/dbraw/zinc/04/53/51/318045351.db2.gz DGTOGSRHHZQZCF-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)nc1 ZINC000574864035 318045352 /nfs/dbraw/zinc/04/53/52/318045352.db2.gz DGTOGSRHHZQZCF-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1ccc2ncc(C[NH+]3CC(COc4ccccc4)C3)n2c1 ZINC000575014822 318057620 /nfs/dbraw/zinc/05/76/20/318057620.db2.gz CTCPFRBQYFYBJF-UHFFFAOYSA-N 1 2 318.380 2.717 20 30 DFEDLO C[C@@H]1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000575384256 318075522 /nfs/dbraw/zinc/07/55/22/318075522.db2.gz PEFZVKFOBGXHKI-DYVFJYSZSA-N 1 2 307.401 2.726 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000577843746 318220633 /nfs/dbraw/zinc/22/06/33/318220633.db2.gz DENAYHZRQDQOKT-IUODEOHRSA-N 1 2 323.400 2.541 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000577843746 318220636 /nfs/dbraw/zinc/22/06/36/318220636.db2.gz DENAYHZRQDQOKT-IUODEOHRSA-N 1 2 323.400 2.541 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000578049971 318234551 /nfs/dbraw/zinc/23/45/51/318234551.db2.gz MDAIDNNOYSBODU-JKSUJKDBSA-N 1 2 320.396 2.895 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000578049971 318234553 /nfs/dbraw/zinc/23/45/53/318234553.db2.gz MDAIDNNOYSBODU-JKSUJKDBSA-N 1 2 320.396 2.895 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000578872992 318291901 /nfs/dbraw/zinc/29/19/01/318291901.db2.gz HNOQSKWWGRKOAQ-MRXNPFEDSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000578872992 318291902 /nfs/dbraw/zinc/29/19/02/318291902.db2.gz HNOQSKWWGRKOAQ-MRXNPFEDSA-N 1 2 315.373 2.857 20 30 DFEDLO C=CCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000102323194 332878716 /nfs/dbraw/zinc/87/87/16/332878716.db2.gz VFZRSLWSCYTLBP-UHFFFAOYSA-N 1 2 322.836 2.829 20 30 DFEDLO CCc1nc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)cs1 ZINC000063455485 331824304 /nfs/dbraw/zinc/82/43/04/331824304.db2.gz KBCQCRAYMOTRTC-UHFFFAOYSA-N 1 2 321.402 2.560 20 30 DFEDLO C[C@H](C[NH+]1CCN(CC#N)CC1)c1cccc(Br)c1 ZINC000092936483 332132557 /nfs/dbraw/zinc/13/25/57/332132557.db2.gz QZQCDLYOWBOTAJ-CYBMUJFWSA-N 1 2 322.250 2.694 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000093418592 332138549 /nfs/dbraw/zinc/13/85/49/332138549.db2.gz OGBCNPYGWYCWPG-CABCVRRESA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000093418592 332138550 /nfs/dbraw/zinc/13/85/50/332138550.db2.gz OGBCNPYGWYCWPG-CABCVRRESA-N 1 2 318.417 2.987 20 30 DFEDLO C=C(C)CN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000181434259 332194895 /nfs/dbraw/zinc/19/48/95/332194895.db2.gz XFOSESNAYNEXEI-AWEZNQCLSA-N 1 2 311.376 2.785 20 30 DFEDLO C=CCC(F)(F)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000292949262 335098381 /nfs/dbraw/zinc/09/83/81/335098381.db2.gz BWAHIDARRZQKBZ-UHFFFAOYSA-N 1 2 309.360 2.900 20 30 DFEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902397 332292705 /nfs/dbraw/zinc/29/27/05/332292705.db2.gz IRAYLOWAIHSQDC-WMLDXEAASA-N 1 2 311.385 2.592 20 30 DFEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902397 332292706 /nfs/dbraw/zinc/29/27/06/332292706.db2.gz IRAYLOWAIHSQDC-WMLDXEAASA-N 1 2 311.385 2.592 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111209650 332302091 /nfs/dbraw/zinc/30/20/91/332302091.db2.gz VKFGLHBTMIBOEJ-HNNXBMFYSA-N 1 2 303.793 2.681 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000184967708 335100696 /nfs/dbraw/zinc/10/06/96/335100696.db2.gz ZQZWGDSXYCBPHP-HUUCEWRRSA-N 1 2 322.474 2.840 20 30 DFEDLO Cc1cc(C(N)=[NH+]OCc2nc(CC(C)C)no2)ccc1F ZINC000112969191 332318286 /nfs/dbraw/zinc/31/82/86/332318286.db2.gz CJAIXRNKOKEOGV-UHFFFAOYSA-N 1 2 306.341 2.553 20 30 DFEDLO C=CCC(F)(F)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000293152851 335101130 /nfs/dbraw/zinc/10/11/30/335101130.db2.gz UAKNQLLXOVABJT-ZDUSSCGKSA-N 1 2 323.318 2.976 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293024448 335101980 /nfs/dbraw/zinc/10/19/80/335101980.db2.gz FTXKYWJVQLDPFB-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293024448 335101981 /nfs/dbraw/zinc/10/19/81/335101981.db2.gz FTXKYWJVQLDPFB-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119266322 332368219 /nfs/dbraw/zinc/36/82/19/332368219.db2.gz JUDBZZQSCQKTCG-INIZCTEOSA-N 1 2 318.442 2.607 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119266322 332368220 /nfs/dbraw/zinc/36/82/20/332368220.db2.gz JUDBZZQSCQKTCG-INIZCTEOSA-N 1 2 318.442 2.607 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000185036839 335108241 /nfs/dbraw/zinc/10/82/41/335108241.db2.gz RLBIMVNQTLARBV-FUHWJXTLSA-N 1 2 316.445 2.778 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371671 335109140 /nfs/dbraw/zinc/10/91/40/335109140.db2.gz AYBHXYQPSBHMNV-UONOGXRCSA-N 1 2 320.462 2.678 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371671 335109142 /nfs/dbraw/zinc/10/91/42/335109142.db2.gz AYBHXYQPSBHMNV-UONOGXRCSA-N 1 2 320.462 2.678 20 30 DFEDLO CC1CCN(c2ccc(CNC(=O)C3(C#N)CCC3)c[nH+]2)CC1 ZINC000134619154 332606930 /nfs/dbraw/zinc/60/69/30/332606930.db2.gz AQPCHJRTNBVXIX-UHFFFAOYSA-N 1 2 312.417 2.628 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000293639500 335113732 /nfs/dbraw/zinc/11/37/32/335113732.db2.gz RQIXAGRBAKFIPV-LLVKDONJSA-N 1 2 319.327 2.904 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000293639500 335113733 /nfs/dbraw/zinc/11/37/33/335113733.db2.gz RQIXAGRBAKFIPV-LLVKDONJSA-N 1 2 319.327 2.904 20 30 DFEDLO C[C@H](CCCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580202817 333003702 /nfs/dbraw/zinc/00/37/02/333003702.db2.gz RZBFKUGBRZDUGF-QAPCUYQASA-N 1 2 301.434 2.605 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000580269882 333046464 /nfs/dbraw/zinc/04/64/64/333046464.db2.gz LDQNPAJGLABVNE-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000580269882 333046465 /nfs/dbraw/zinc/04/64/65/333046465.db2.gz LDQNPAJGLABVNE-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174225830 333083441 /nfs/dbraw/zinc/08/34/41/333083441.db2.gz NTIKIRFFMMAGRR-ZIAGYGMSSA-N 1 2 321.421 2.672 20 30 DFEDLO CN(C)C(=O)COc1ccc([NH2+]CC(C)(C)CCC#N)cc1 ZINC000174289605 333084524 /nfs/dbraw/zinc/08/45/24/333084524.db2.gz LISXJWPFHTYHRZ-UHFFFAOYSA-N 1 2 303.406 2.895 20 30 DFEDLO COc1ccccc1CCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000180649995 333164084 /nfs/dbraw/zinc/16/40/84/333164084.db2.gz NAJXYXOEGYOQSS-UHFFFAOYSA-N 1 2 319.430 2.924 20 30 DFEDLO COC(=O)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000181578903 333170370 /nfs/dbraw/zinc/17/03/70/333170370.db2.gz YDUFIISSWKXYTB-UHFFFAOYSA-N 1 2 322.408 2.991 20 30 DFEDLO COC(=O)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000181578903 333170372 /nfs/dbraw/zinc/17/03/72/333170372.db2.gz YDUFIISSWKXYTB-UHFFFAOYSA-N 1 2 322.408 2.991 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181731550 333171778 /nfs/dbraw/zinc/17/17/78/333171778.db2.gz JIIOPRVJOHCQOD-NSHDSACASA-N 1 2 311.788 2.892 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000363829685 333179797 /nfs/dbraw/zinc/17/97/97/333179797.db2.gz OAXORIBIZDJTTQ-UHFFFAOYSA-N 1 2 317.433 2.887 20 30 DFEDLO C#CCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000294428421 335122962 /nfs/dbraw/zinc/12/29/62/335122962.db2.gz BRJUXMKOKAYNCI-MRXNPFEDSA-N 1 2 323.396 2.832 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294442144 335123232 /nfs/dbraw/zinc/12/32/32/335123232.db2.gz VGRORRKTGQWMJX-KBMXLJTQSA-N 1 2 316.380 2.604 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491777043 333203080 /nfs/dbraw/zinc/20/30/80/333203080.db2.gz GZZHLAALPPYMBZ-NSHDSACASA-N 1 2 301.415 2.687 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000491777043 333203082 /nfs/dbraw/zinc/20/30/82/333203082.db2.gz GZZHLAALPPYMBZ-NSHDSACASA-N 1 2 301.415 2.687 20 30 DFEDLO Cc1cc2[nH+]cn(CC(=O)NC3(C#N)CCCCC3)c2cc1C ZINC000189442384 333257712 /nfs/dbraw/zinc/25/77/12/333257712.db2.gz ZGVSSLUIFRTWFE-UHFFFAOYSA-N 1 2 310.401 2.996 20 30 DFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cncc(C)c2)c[nH+]1 ZINC000191339635 333279313 /nfs/dbraw/zinc/27/93/13/333279313.db2.gz HEVYUSNQYWGLCU-GQCTYLIASA-N 1 2 311.385 2.764 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C[C@@H](C)C#N ZINC000195595855 333324850 /nfs/dbraw/zinc/32/48/50/333324850.db2.gz JWMFVUZZYGEMJV-QWHCGFSZSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C[C@@H](C)C#N ZINC000195595855 333324852 /nfs/dbraw/zinc/32/48/52/333324852.db2.gz JWMFVUZZYGEMJV-QWHCGFSZSA-N 1 2 307.825 2.999 20 30 DFEDLO C#CC[C@H](NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000364695661 333329464 /nfs/dbraw/zinc/32/94/64/333329464.db2.gz KQEIUQPWMFMAAU-WBVHZDCISA-N 1 2 322.412 2.509 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000364744178 333331490 /nfs/dbraw/zinc/33/14/90/333331490.db2.gz WXJLOVPFDPWYBA-QGZVFWFLSA-N 1 2 316.449 2.545 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000364744178 333331492 /nfs/dbraw/zinc/33/14/92/333331492.db2.gz WXJLOVPFDPWYBA-QGZVFWFLSA-N 1 2 316.449 2.545 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000295266104 335134472 /nfs/dbraw/zinc/13/44/72/335134472.db2.gz LGDVRFLZOSUPQI-ZIAGYGMSSA-N 1 2 322.474 2.838 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000295266104 335134473 /nfs/dbraw/zinc/13/44/73/335134473.db2.gz LGDVRFLZOSUPQI-ZIAGYGMSSA-N 1 2 322.474 2.838 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000119112959 333342903 /nfs/dbraw/zinc/34/29/03/333342903.db2.gz GUDMSLPRGDBJEA-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000119112959 333342905 /nfs/dbraw/zinc/34/29/05/333342905.db2.gz GUDMSLPRGDBJEA-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CN(C)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)c[nH+]1 ZINC000337340654 333446384 /nfs/dbraw/zinc/44/63/84/333446384.db2.gz HLJDDAZFGXESAP-UHFFFAOYSA-N 1 2 309.373 2.535 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068320 335141042 /nfs/dbraw/zinc/14/10/42/335141042.db2.gz VCVMSBWZZUHQET-DLBZAZTESA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068320 335141044 /nfs/dbraw/zinc/14/10/44/335141044.db2.gz VCVMSBWZZUHQET-DLBZAZTESA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068320 335141045 /nfs/dbraw/zinc/14/10/45/335141045.db2.gz VCVMSBWZZUHQET-DLBZAZTESA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068320 335141046 /nfs/dbraw/zinc/14/10/46/335141046.db2.gz VCVMSBWZZUHQET-DLBZAZTESA-N 1 2 324.428 2.795 20 30 DFEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000296234555 335142545 /nfs/dbraw/zinc/14/25/45/335142545.db2.gz ONMCRASZTAUHCE-IRXDYDNUSA-N 1 2 316.445 2.729 20 30 DFEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000296234555 335142546 /nfs/dbraw/zinc/14/25/46/335142546.db2.gz ONMCRASZTAUHCE-IRXDYDNUSA-N 1 2 316.445 2.729 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296332711 335143407 /nfs/dbraw/zinc/14/34/07/335143407.db2.gz QWEQUGWKBWNRBE-DZGCQCFKSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296332711 335143409 /nfs/dbraw/zinc/14/34/09/335143409.db2.gz QWEQUGWKBWNRBE-DZGCQCFKSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCOc1cccc(NC(=O)NCc2[nH+]ccn2CC)c1 ZINC000296584171 335144859 /nfs/dbraw/zinc/14/48/59/335144859.db2.gz TZSNBYGAUTWVIV-UHFFFAOYSA-N 1 2 300.362 2.790 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cn2cccc(C)c2[nH+]1)OCC ZINC000339363870 333520643 /nfs/dbraw/zinc/52/06/43/333520643.db2.gz QWHGJAQNFPIVLW-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CCNC(=O)c1ccccc1NCc1cc(OC)cc(C)[nH+]1 ZINC000354253795 333529469 /nfs/dbraw/zinc/52/94/69/333529469.db2.gz NZFLAXQEUHWMTK-UHFFFAOYSA-N 1 2 311.385 2.927 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000356418187 333529515 /nfs/dbraw/zinc/52/95/15/333529515.db2.gz BHKZBFCEYFJTHQ-MFKMUULPSA-N 1 2 319.206 2.879 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000339719965 333530992 /nfs/dbraw/zinc/53/09/92/333530992.db2.gz YYIFCMIRYPOBRO-UHFFFAOYSA-N 1 2 309.772 2.541 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000411164415 333638925 /nfs/dbraw/zinc/63/89/25/333638925.db2.gz MKSRGCNYAGBMFK-UHFFFAOYSA-N 1 2 317.414 2.917 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411360780 333660899 /nfs/dbraw/zinc/66/08/99/333660899.db2.gz WVFODASNYCISJM-GFCCVEGCSA-N 1 2 303.406 2.806 20 30 DFEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000265145212 333963510 /nfs/dbraw/zinc/96/35/10/333963510.db2.gz OVXKUGWDKJWJNU-WXSRTPMLSA-N 1 2 318.417 2.857 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270370831 334012418 /nfs/dbraw/zinc/01/24/18/334012418.db2.gz HOWPHSAIKRWJSL-YOEHRIQHSA-N 1 2 308.385 2.672 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000271999994 334029397 /nfs/dbraw/zinc/02/93/97/334029397.db2.gz HHHQOQIVAOICLA-UHFFFAOYSA-N 1 2 321.371 2.662 20 30 DFEDLO COc1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC000272525602 334036498 /nfs/dbraw/zinc/03/64/98/334036498.db2.gz HVGGUJOQSWHZIV-UHFFFAOYSA-N 1 2 321.808 2.913 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000272563766 334037351 /nfs/dbraw/zinc/03/73/51/334037351.db2.gz MAROWEFUFLWVIQ-UHFFFAOYSA-N 1 2 315.421 2.562 20 30 DFEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272649169 334038651 /nfs/dbraw/zinc/03/86/51/334038651.db2.gz YWGUOOFQKYHJPI-GFCCVEGCSA-N 1 2 316.361 2.547 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000274119318 334055275 /nfs/dbraw/zinc/05/52/75/334055275.db2.gz GNXAZTJJESCQNS-UHFFFAOYSA-N 1 2 309.413 2.648 20 30 DFEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000274119318 334055277 /nfs/dbraw/zinc/05/52/77/334055277.db2.gz GNXAZTJJESCQNS-UHFFFAOYSA-N 1 2 309.413 2.648 20 30 DFEDLO CC1(C#N)CCN(c2cc(N3CCC(C)(C#N)CC3)[nH+]cn2)CC1 ZINC000274660253 334064701 /nfs/dbraw/zinc/06/47/01/334064701.db2.gz FIDZLPMBEJGYMK-UHFFFAOYSA-N 1 2 324.432 2.737 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000276364612 334076068 /nfs/dbraw/zinc/07/60/68/334076068.db2.gz ZPOPWDLMTHXYMP-GFCCVEGCSA-N 1 2 323.799 2.929 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278810203 334101702 /nfs/dbraw/zinc/10/17/02/334101702.db2.gz HJBRZJJGHKAKFJ-KBPBESRZSA-N 1 2 302.353 2.507 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278810203 334101703 /nfs/dbraw/zinc/10/17/03/334101703.db2.gz HJBRZJJGHKAKFJ-KBPBESRZSA-N 1 2 302.353 2.507 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3ccc(CC#N)cc3)[nH+]c2c1 ZINC000340102341 334127217 /nfs/dbraw/zinc/12/72/17/334127217.db2.gz WBPRVZOIKJIWOZ-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000282446681 334134840 /nfs/dbraw/zinc/13/48/40/334134840.db2.gz OLYBCAJLGKHFIQ-DQPZFDDXSA-N 1 2 318.392 2.829 20 30 DFEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000284016607 334142181 /nfs/dbraw/zinc/14/21/81/334142181.db2.gz HWFCKFPLZUPOKV-DGCLKSJQSA-N 1 2 301.346 2.870 20 30 DFEDLO NC(=[NH+]OCc1cc(F)ccc1Br)[C@@H]1CCCO1 ZINC000284078137 334142311 /nfs/dbraw/zinc/14/23/11/334142311.db2.gz KJMPILFFCZRASQ-NSHDSACASA-N 1 2 317.158 2.556 20 30 DFEDLO NC(=[NH+]OCCCCCF)c1ccc(N2CCCCC2)nc1 ZINC000284464896 334143511 /nfs/dbraw/zinc/14/35/11/334143511.db2.gz QYQBWBOJKJJCAI-UHFFFAOYSA-N 1 2 308.401 2.849 20 30 DFEDLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284596477 334143964 /nfs/dbraw/zinc/14/39/64/334143964.db2.gz YGOURHRYDPYSEE-YPMHNXCESA-N 1 2 316.361 2.574 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285193358 334146270 /nfs/dbraw/zinc/14/62/70/334146270.db2.gz SCHTXPRDQNFDAH-KRWDZBQOSA-N 1 2 300.406 2.628 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000285431925 334147911 /nfs/dbraw/zinc/14/79/11/334147911.db2.gz HQGVCULZBLXWAC-CJNGLKHVSA-N 1 2 309.360 2.624 20 30 DFEDLO CC[C@](C)(C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000285497606 334148334 /nfs/dbraw/zinc/14/83/34/334148334.db2.gz FBPIISVSGKHERB-RDTXWAMCSA-N 1 2 315.417 2.958 20 30 DFEDLO CC[C@](C)(C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000285497603 334148360 /nfs/dbraw/zinc/14/83/60/334148360.db2.gz FBPIISVSGKHERB-KBXCAEBGSA-N 1 2 315.417 2.958 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000285714672 334149687 /nfs/dbraw/zinc/14/96/87/334149687.db2.gz FBYSADXWEBMLOX-YQQAZPJKSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000285714672 334149689 /nfs/dbraw/zinc/14/96/89/334149689.db2.gz FBYSADXWEBMLOX-YQQAZPJKSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286158525 334151417 /nfs/dbraw/zinc/15/14/17/334151417.db2.gz ZTZPNPHHGHYXBU-KBXCAEBGSA-N 1 2 314.433 2.865 20 30 DFEDLO COc1ccccc1O[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000286497813 334153366 /nfs/dbraw/zinc/15/33/66/334153366.db2.gz PMNUJPPERLJVKW-HOTGVXAUSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1ccccc1O[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000286497813 334153367 /nfs/dbraw/zinc/15/33/67/334153367.db2.gz PMNUJPPERLJVKW-HOTGVXAUSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1ccccc1O[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000286497810 334153466 /nfs/dbraw/zinc/15/34/66/334153466.db2.gz PMNUJPPERLJVKW-CVEARBPZSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000286497810 334153468 /nfs/dbraw/zinc/15/34/68/334153468.db2.gz PMNUJPPERLJVKW-CVEARBPZSA-N 1 2 313.401 2.982 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCc2occc2C1 ZINC000288642041 334161513 /nfs/dbraw/zinc/16/15/13/334161513.db2.gz APYJGPAKIIGBMR-AWEZNQCLSA-N 1 2 315.417 2.759 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCc2occc2C1 ZINC000288642041 334161515 /nfs/dbraw/zinc/16/15/15/334161515.db2.gz APYJGPAKIIGBMR-AWEZNQCLSA-N 1 2 315.417 2.759 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000289394169 334164884 /nfs/dbraw/zinc/16/48/84/334164884.db2.gz RGUOITUSLCIKPN-INIZCTEOSA-N 1 2 316.401 2.755 20 30 DFEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)n(C)c1C ZINC000291268374 334177577 /nfs/dbraw/zinc/17/75/77/334177577.db2.gz SXRVQYOYOUQLKX-UHFFFAOYSA-N 1 2 305.422 2.882 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)n(C)c1C ZINC000291268374 334177578 /nfs/dbraw/zinc/17/75/78/334177578.db2.gz SXRVQYOYOUQLKX-UHFFFAOYSA-N 1 2 305.422 2.882 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000292112361 334184612 /nfs/dbraw/zinc/18/46/12/334184612.db2.gz HHDSDMVWPWWIRF-QGZVFWFLSA-N 1 2 310.397 2.981 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000292112361 334184614 /nfs/dbraw/zinc/18/46/14/334184614.db2.gz HHDSDMVWPWWIRF-QGZVFWFLSA-N 1 2 310.397 2.981 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(Br)cc1 ZINC000292102538 334184652 /nfs/dbraw/zinc/18/46/52/334184652.db2.gz GMLPGCMDZVBVJC-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(Br)cc1 ZINC000292102538 334184654 /nfs/dbraw/zinc/18/46/54/334184654.db2.gz GMLPGCMDZVBVJC-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1c1ccccc1 ZINC000292276652 334186257 /nfs/dbraw/zinc/18/62/57/334186257.db2.gz BKBGYMXPCKPMKF-GGPKGHCWSA-N 1 2 322.408 2.665 20 30 DFEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1c1ccccc1 ZINC000292276652 334186258 /nfs/dbraw/zinc/18/62/58/334186258.db2.gz BKBGYMXPCKPMKF-GGPKGHCWSA-N 1 2 322.408 2.665 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(OCC)cc1 ZINC000292332431 334186839 /nfs/dbraw/zinc/18/68/39/334186839.db2.gz WKYGQQDDVIFFBD-UHFFFAOYSA-N 1 2 301.390 2.816 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(OCC)cc1 ZINC000292332431 334186840 /nfs/dbraw/zinc/18/68/40/334186840.db2.gz WKYGQQDDVIFFBD-UHFFFAOYSA-N 1 2 301.390 2.816 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551088 334189149 /nfs/dbraw/zinc/18/91/49/334189149.db2.gz YPCXJMBZWAFCOO-IDCNUPLLSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551088 334189150 /nfs/dbraw/zinc/18/91/50/334189150.db2.gz YPCXJMBZWAFCOO-IDCNUPLLSA-N 1 2 313.445 2.919 20 30 DFEDLO CC[N@H+](CCC#N)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000292893875 334193884 /nfs/dbraw/zinc/19/38/84/334193884.db2.gz VJVRTLBSEYNQQT-CJNGLKHVSA-N 1 2 303.381 2.723 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000292893875 334193885 /nfs/dbraw/zinc/19/38/85/334193885.db2.gz VJVRTLBSEYNQQT-CJNGLKHVSA-N 1 2 303.381 2.723 20 30 DFEDLO N#CC[C@@H]1CC[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000294963512 334215053 /nfs/dbraw/zinc/21/50/53/334215053.db2.gz KGTNITPFPISXIE-STQMWFEESA-N 1 2 303.435 2.524 20 30 DFEDLO N#CC[C@@H]1CC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000294963512 334215056 /nfs/dbraw/zinc/21/50/56/334215056.db2.gz KGTNITPFPISXIE-STQMWFEESA-N 1 2 303.435 2.524 20 30 DFEDLO N#CCCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295664080 334226400 /nfs/dbraw/zinc/22/64/00/334226400.db2.gz WINNXHVJXIWPDP-UHFFFAOYSA-N 1 2 302.765 2.836 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000297016333 334238750 /nfs/dbraw/zinc/23/87/50/334238750.db2.gz ZWKPEKQLYYAXKO-GFCCVEGCSA-N 1 2 313.361 2.516 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000299174357 334253656 /nfs/dbraw/zinc/25/36/56/334253656.db2.gz VPRWGYGYSLJIKQ-GOEBONIOSA-N 1 2 304.434 2.815 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000299174357 334253657 /nfs/dbraw/zinc/25/36/57/334253657.db2.gz VPRWGYGYSLJIKQ-GOEBONIOSA-N 1 2 304.434 2.815 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000534660123 334315917 /nfs/dbraw/zinc/31/59/17/334315917.db2.gz SZSOVSAXCIAVAF-OAHLLOKOSA-N 1 2 324.465 2.607 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000534660123 334315918 /nfs/dbraw/zinc/31/59/18/334315918.db2.gz SZSOVSAXCIAVAF-OAHLLOKOSA-N 1 2 324.465 2.607 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000121593572 334354691 /nfs/dbraw/zinc/35/46/91/334354691.db2.gz IYXMMGZQRDUHQZ-UHFFFAOYSA-N 1 2 312.417 2.854 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000121593572 334354693 /nfs/dbraw/zinc/35/46/93/334354693.db2.gz IYXMMGZQRDUHQZ-UHFFFAOYSA-N 1 2 312.417 2.854 20 30 DFEDLO C=C1CC[NH+](CC(=O)NCCSc2ccc(C)cc2)CC1 ZINC000341996641 334499190 /nfs/dbraw/zinc/49/91/90/334499190.db2.gz HOTLXWRJZIKTHS-UHFFFAOYSA-N 1 2 304.459 2.855 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CCC2 ZINC000328657139 334746095 /nfs/dbraw/zinc/74/60/95/334746095.db2.gz OLEOZJCQKZBIKI-CYBMUJFWSA-N 1 2 313.405 2.685 20 30 DFEDLO CC(C)(CNC(=O)c1cncc2ccccc21)[NH+]1CCOCC1 ZINC000328884788 334763459 /nfs/dbraw/zinc/76/34/59/334763459.db2.gz NAPPZMDUCPJPBB-UHFFFAOYSA-N 1 2 313.401 2.650 20 30 DFEDLO C[C@@H]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000328895247 334764087 /nfs/dbraw/zinc/76/40/87/334764087.db2.gz BGRXGEMEUUFUPQ-UKRRQHHQSA-N 1 2 320.437 2.534 20 30 DFEDLO COCCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330773330 334809424 /nfs/dbraw/zinc/80/94/24/334809424.db2.gz FJTHHZDHLSMYPK-ZDUSSCGKSA-N 1 2 306.410 2.741 20 30 DFEDLO CC(C)(C#N)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000330941303 334823265 /nfs/dbraw/zinc/82/32/65/334823265.db2.gz CXVWHBNBQWQNFW-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1C=CCCC1 ZINC000330999968 334829617 /nfs/dbraw/zinc/82/96/17/334829617.db2.gz ZZMBEAXIBFMASZ-SNVBAGLBSA-N 1 2 302.300 2.558 20 30 DFEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331048992 334831845 /nfs/dbraw/zinc/83/18/45/334831845.db2.gz WQXRUIQCYXDFPP-SOUVJXGZSA-N 1 2 321.469 2.827 20 30 DFEDLO CC[C@@H](C)n1ncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000331081649 334833657 /nfs/dbraw/zinc/83/36/57/334833657.db2.gz OJDWZARLDYIWFS-CYBMUJFWSA-N 1 2 322.453 2.578 20 30 DFEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)c1C ZINC000331354027 334858105 /nfs/dbraw/zinc/85/81/05/334858105.db2.gz PIODELSGFTVFCT-FPMFFAJLSA-N 1 2 301.390 2.687 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331360490 334858276 /nfs/dbraw/zinc/85/82/76/334858276.db2.gz XWRACEJZBAKQRK-BFHYXJOUSA-N 1 2 301.390 2.613 20 30 DFEDLO CC(C)c1nc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cs1 ZINC000331360785 334858468 /nfs/dbraw/zinc/85/84/68/334858468.db2.gz YGASNTLKXHVBDA-UHFFFAOYSA-N 1 2 311.451 2.682 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ncccn1 ZINC000344080891 335216197 /nfs/dbraw/zinc/21/61/97/335216197.db2.gz WVZKRTVCIHKOBU-GFCCVEGCSA-N 1 2 302.403 2.553 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ncccn1 ZINC000344080891 335216199 /nfs/dbraw/zinc/21/61/99/335216199.db2.gz WVZKRTVCIHKOBU-GFCCVEGCSA-N 1 2 302.403 2.553 20 30 DFEDLO CSCC[C@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000344664592 335269803 /nfs/dbraw/zinc/26/98/03/335269803.db2.gz IGVXDLUPRKDMJG-MRXNPFEDSA-N 1 2 316.430 2.647 20 30 DFEDLO CO[C@@H]1C[C@H](c2nnc(C3CC3)[nH]2)[N@H+](CCCC(C)(C)C#N)C1 ZINC000344675021 335271049 /nfs/dbraw/zinc/27/10/49/335271049.db2.gz KCIYPNMBBWESLZ-ZIAGYGMSSA-N 1 2 317.437 2.774 20 30 DFEDLO CO[C@@H]1C[C@H](c2nnc(C3CC3)[nH]2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000344675021 335271051 /nfs/dbraw/zinc/27/10/51/335271051.db2.gz KCIYPNMBBWESLZ-ZIAGYGMSSA-N 1 2 317.437 2.774 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ncc(C)s2)C1=O ZINC000366906430 335339716 /nfs/dbraw/zinc/33/97/16/335339716.db2.gz YCZSBUSWRRLGDT-ZIAGYGMSSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ncc(C)s2)C1=O ZINC000366906430 335339718 /nfs/dbraw/zinc/33/97/18/335339718.db2.gz YCZSBUSWRRLGDT-ZIAGYGMSSA-N 1 2 305.447 2.765 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000345798275 335351866 /nfs/dbraw/zinc/35/18/66/335351866.db2.gz MQVBBXXNEGTGAO-XJKSGUPXSA-N 1 2 310.357 2.757 20 30 DFEDLO CC(C)[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCS1 ZINC000328600451 335369139 /nfs/dbraw/zinc/36/91/39/335369139.db2.gz CZOWXWPYXQKYGA-KGLIPLIRSA-N 1 2 322.478 2.748 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000347690953 335521628 /nfs/dbraw/zinc/52/16/28/335521628.db2.gz NFWWYJRMUAMXFX-GHMZBOCLSA-N 1 2 309.316 2.508 20 30 DFEDLO C=C(Br)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064267 335621233 /nfs/dbraw/zinc/62/12/33/335621233.db2.gz CEQXRTJRAVQXJY-UHFFFAOYSA-N 1 2 306.207 2.847 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000350389969 335751989 /nfs/dbraw/zinc/75/19/89/335751989.db2.gz JIQSPHAMEMTDMT-KOLCDFICSA-N 1 2 310.300 2.799 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329336715 335965522 /nfs/dbraw/zinc/96/55/22/335965522.db2.gz PKOYXUUHADRKQI-OAHLLOKOSA-N 1 2 322.449 2.690 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000329356562 335967783 /nfs/dbraw/zinc/96/77/83/335967783.db2.gz FVIMPSHPKVTOCN-UHFFFAOYSA-N 1 2 316.449 2.838 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000520507299 335981805 /nfs/dbraw/zinc/98/18/05/335981805.db2.gz BBHDSLBJDBARHY-UHFFFAOYSA-N 1 2 306.431 2.606 20 30 DFEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@@]12CCOC2 ZINC000329540455 335991765 /nfs/dbraw/zinc/99/17/65/335991765.db2.gz CYLLLBLWZVRLPD-SUMWQHHRSA-N 1 2 315.348 2.895 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329621992 336014756 /nfs/dbraw/zinc/01/47/56/336014756.db2.gz UNTWMJRYBHCXHP-CQDKDKBSSA-N 1 2 303.793 2.727 20 30 DFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(C2CC2)CCOCC1 ZINC000329637039 336021125 /nfs/dbraw/zinc/02/11/25/336021125.db2.gz VKZQAMBXAXRRNN-OAHLLOKOSA-N 1 2 315.417 2.824 20 30 DFEDLO Cc1cccc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)c1 ZINC000329648809 336026794 /nfs/dbraw/zinc/02/67/94/336026794.db2.gz FEIPHSHKFLQPHP-HZPDHXFCSA-N 1 2 324.428 2.979 20 30 DFEDLO Cc1cccc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000329648809 336026796 /nfs/dbraw/zinc/02/67/96/336026796.db2.gz FEIPHSHKFLQPHP-HZPDHXFCSA-N 1 2 324.428 2.979 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](CC)C[C@@H](C)C#N)n1 ZINC000351480467 336039224 /nfs/dbraw/zinc/03/92/24/336039224.db2.gz VBAAXLVSFNFZQF-HNNXBMFYSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](CC)C[C@@H](C)C#N)n1 ZINC000351480467 336039226 /nfs/dbraw/zinc/03/92/26/336039226.db2.gz VBAAXLVSFNFZQF-HNNXBMFYSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(Cc1cccc(N(CC)CCOC)[nH+]1)C[C@@H](C)C#N ZINC000351480467 336039227 /nfs/dbraw/zinc/03/92/27/336039227.db2.gz VBAAXLVSFNFZQF-HNNXBMFYSA-N 1 2 304.438 2.536 20 30 DFEDLO N#CCc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329709223 336061823 /nfs/dbraw/zinc/06/18/23/336061823.db2.gz LLIBKZIYGYYPBO-HZPDHXFCSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329709223 336061824 /nfs/dbraw/zinc/06/18/24/336061824.db2.gz LLIBKZIYGYYPBO-HZPDHXFCSA-N 1 2 324.384 2.728 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000351772911 336068337 /nfs/dbraw/zinc/06/83/37/336068337.db2.gz AOXVSSHHSKFVNA-SJCJKPOMSA-N 1 2 302.422 2.551 20 30 DFEDLO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329726414 336070958 /nfs/dbraw/zinc/07/09/58/336070958.db2.gz OLKBJEOLEUTZCB-MNOVXSKESA-N 1 2 316.430 2.862 20 30 DFEDLO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329726414 336070960 /nfs/dbraw/zinc/07/09/60/336070960.db2.gz OLKBJEOLEUTZCB-MNOVXSKESA-N 1 2 316.430 2.862 20 30 DFEDLO O=C(N[C@@H]1CCCOc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329842244 336088441 /nfs/dbraw/zinc/08/84/41/336088441.db2.gz NSNSJSKTJXKLDX-CQSZACIVSA-N 1 2 312.373 2.527 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)C1CC1 ZINC000329857153 336089837 /nfs/dbraw/zinc/08/98/37/336089837.db2.gz VEURKPGOWQGETK-YSVLISHTSA-N 1 2 305.422 2.525 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)C1CC1 ZINC000329857153 336089839 /nfs/dbraw/zinc/08/98/39/336089839.db2.gz VEURKPGOWQGETK-YSVLISHTSA-N 1 2 305.422 2.525 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329898899 336093372 /nfs/dbraw/zinc/09/33/72/336093372.db2.gz MPBOKWFGZQQGRJ-BZNIZROVSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329898899 336093374 /nfs/dbraw/zinc/09/33/74/336093374.db2.gz MPBOKWFGZQQGRJ-BZNIZROVSA-N 1 2 318.373 2.503 20 30 DFEDLO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000329993185 336103657 /nfs/dbraw/zinc/10/36/57/336103657.db2.gz LDLRLYICSZMYIJ-OAHLLOKOSA-N 1 2 316.405 2.543 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330023881 336107102 /nfs/dbraw/zinc/10/71/02/336107102.db2.gz JGRLNUBTDMAKMY-UHFFFAOYSA-N 1 2 304.394 2.802 20 30 DFEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCOC2(C1)CCCCCC2 ZINC000330065276 336110841 /nfs/dbraw/zinc/11/08/41/336110841.db2.gz RVWLHRMXTFFQAF-UHFFFAOYSA-N 1 2 320.437 2.531 20 30 DFEDLO [O-]C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199929 336123467 /nfs/dbraw/zinc/12/34/67/336123467.db2.gz WBGVGEUWLIRTKW-GBJTYRQASA-N 1 2 302.422 2.670 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330199929 336123468 /nfs/dbraw/zinc/12/34/68/336123468.db2.gz WBGVGEUWLIRTKW-GBJTYRQASA-N 1 2 302.422 2.670 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS[C@@H](C)CC1)CCC2 ZINC000330205399 336124086 /nfs/dbraw/zinc/12/40/86/336124086.db2.gz CKSBNEUINVMCPY-KBPBESRZSA-N 1 2 322.478 2.810 20 30 DFEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC12CCC2 ZINC000330232457 336127501 /nfs/dbraw/zinc/12/75/01/336127501.db2.gz XJSSUEKXAOCAEQ-WFASDCNBSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC12CCC2 ZINC000330232456 336127657 /nfs/dbraw/zinc/12/76/57/336127657.db2.gz XJSSUEKXAOCAEQ-DOMZBBRYSA-N 1 2 302.422 2.692 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330241827 336128908 /nfs/dbraw/zinc/12/89/08/336128908.db2.gz WGUNELNVRLCPDE-UONOGXRCSA-N 1 2 318.421 2.605 20 30 DFEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCS1 ZINC000330240998 336128914 /nfs/dbraw/zinc/12/89/14/336128914.db2.gz FNHUMZJVULMGNX-OLZOCXBDSA-N 1 2 308.451 2.502 20 30 DFEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248536 336129695 /nfs/dbraw/zinc/12/96/95/336129695.db2.gz GDNLDLZBPAWOLO-VQHPVUNQSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248536 336129697 /nfs/dbraw/zinc/12/96/97/336129697.db2.gz GDNLDLZBPAWOLO-VQHPVUNQSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1cccc2c1OC[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000330259854 336130619 /nfs/dbraw/zinc/13/06/19/336130619.db2.gz SHPSVSNRFFINJM-LSDHHAIUSA-N 1 2 311.385 2.714 20 30 DFEDLO Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330285987 336133627 /nfs/dbraw/zinc/13/36/27/336133627.db2.gz AETZPKSCPHAOGK-LBPRGKRZSA-N 1 2 302.378 2.737 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC12CCCCC2 ZINC000330302951 336146039 /nfs/dbraw/zinc/14/60/39/336146039.db2.gz OTWKHSKPDUUEHV-CQSZACIVSA-N 1 2 302.422 2.911 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC12CCCCC2 ZINC000330302951 336146041 /nfs/dbraw/zinc/14/60/41/336146041.db2.gz OTWKHSKPDUUEHV-CQSZACIVSA-N 1 2 302.422 2.911 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000331894914 336151857 /nfs/dbraw/zinc/15/18/57/336151857.db2.gz HARJEOKOMPQZGE-GOSISDBHSA-N 1 2 324.428 2.677 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331894914 336151858 /nfs/dbraw/zinc/15/18/58/336151858.db2.gz HARJEOKOMPQZGE-GOSISDBHSA-N 1 2 324.428 2.677 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCO1 ZINC000330325483 336158327 /nfs/dbraw/zinc/15/83/27/336158327.db2.gz JHHIBSWFXSPUGU-NHYWBVRUSA-N 1 2 316.361 2.510 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000332167744 336161195 /nfs/dbraw/zinc/16/11/95/336161195.db2.gz KIXSDVOURQBEDL-IAQYHMDHSA-N 1 2 301.781 2.703 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@H]2CCCCO2)CCO1 ZINC000330330415 336166227 /nfs/dbraw/zinc/16/62/27/336166227.db2.gz NHARIVTVXHXUHL-NFAWXSAZSA-N 1 2 307.394 2.556 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296111 336167137 /nfs/dbraw/zinc/16/71/37/336167137.db2.gz IDDWFCOKOUUDRH-CABCVRRESA-N 1 2 306.454 2.585 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCCO2)CCO1 ZINC000330335784 336168181 /nfs/dbraw/zinc/16/81/81/336168181.db2.gz RVBLLDKQVPBYLD-FMKPAKJESA-N 1 2 321.421 2.946 20 30 DFEDLO C[C@@H]1CN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000332392062 336170920 /nfs/dbraw/zinc/17/09/20/336170920.db2.gz MIROABVXIBZBIL-LXTVHRRPSA-N 1 2 300.406 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332722824 336180131 /nfs/dbraw/zinc/18/01/31/336180131.db2.gz OVPMVHTURLCTNU-LJQANCHMSA-N 1 2 313.445 2.834 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332722824 336180132 /nfs/dbraw/zinc/18/01/32/336180132.db2.gz OVPMVHTURLCTNU-LJQANCHMSA-N 1 2 313.445 2.834 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000333549647 336205383 /nfs/dbraw/zinc/20/53/83/336205383.db2.gz FKBSFOZGEOMZQI-GLQYFDAESA-N 1 2 303.793 2.727 20 30 DFEDLO C[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000333577742 336206274 /nfs/dbraw/zinc/20/62/74/336206274.db2.gz QTVOREUNNLWREM-VKJFTORMSA-N 1 2 312.417 2.767 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1=O ZINC000333627854 336207436 /nfs/dbraw/zinc/20/74/36/336207436.db2.gz QPJUXFGJKJYGGJ-KBMXLJTQSA-N 1 2 315.392 2.911 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1C ZINC000352450534 336219780 /nfs/dbraw/zinc/21/97/80/336219780.db2.gz RHSAYZZXMZYVBO-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458833 336220438 /nfs/dbraw/zinc/22/04/38/336220438.db2.gz PQHKUIMDCXPKQP-NSHDSACASA-N 1 2 309.772 2.995 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(F)cc1 ZINC000352462697 336220643 /nfs/dbraw/zinc/22/06/43/336220643.db2.gz GFJWUUYXEAVGSD-STQMWFEESA-N 1 2 321.371 2.719 20 30 DFEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352466396 336220680 /nfs/dbraw/zinc/22/06/80/336220680.db2.gz CLTRFQFLIWJXEW-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000352464763 336220774 /nfs/dbraw/zinc/22/07/74/336220774.db2.gz WWBMXLYRBKUSBC-HNNXBMFYSA-N 1 2 301.365 2.510 20 30 DFEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352481976 336221318 /nfs/dbraw/zinc/22/13/18/336221318.db2.gz FWUFHYCUXGKWLM-INIZCTEOSA-N 1 2 317.408 2.924 20 30 DFEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352481144 336221348 /nfs/dbraw/zinc/22/13/48/336221348.db2.gz DDAIZNSJDHIAPE-GFCCVEGCSA-N 1 2 323.799 2.845 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nc(C)cs1 ZINC000352702058 336231315 /nfs/dbraw/zinc/23/13/15/336231315.db2.gz QNXWIRDQSVVUSV-UHFFFAOYSA-N 1 2 305.403 2.714 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nc(C)cs1 ZINC000352702058 336231316 /nfs/dbraw/zinc/23/13/16/336231316.db2.gz QNXWIRDQSVVUSV-UHFFFAOYSA-N 1 2 305.403 2.714 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC)n1 ZINC000352797213 336237633 /nfs/dbraw/zinc/23/76/33/336237633.db2.gz IHGKKESFAWBACL-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC)n1 ZINC000352797213 336237634 /nfs/dbraw/zinc/23/76/34/336237634.db2.gz IHGKKESFAWBACL-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2ccccn12 ZINC000352797791 336237825 /nfs/dbraw/zinc/23/78/25/336237825.db2.gz CGWUVAFGZCTEFD-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2ccccn12 ZINC000352797791 336237826 /nfs/dbraw/zinc/23/78/26/336237826.db2.gz CGWUVAFGZCTEFD-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352807149 336242769 /nfs/dbraw/zinc/24/27/69/336242769.db2.gz WGOCBHTYMZRMCI-OAHLLOKOSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000352807149 336242770 /nfs/dbraw/zinc/24/27/70/336242770.db2.gz WGOCBHTYMZRMCI-OAHLLOKOSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000353015388 336382058 /nfs/dbraw/zinc/38/20/58/336382058.db2.gz UTBABAVTTNMFTH-ZMSDIMECSA-N 1 2 305.422 2.521 20 30 DFEDLO N#CCc1cccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000367342655 336669467 /nfs/dbraw/zinc/66/94/67/336669467.db2.gz OWXNHICQBHRVKV-QGZVFWFLSA-N 1 2 320.396 2.546 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000362371325 336793943 /nfs/dbraw/zinc/79/39/43/336793943.db2.gz QLPLFCSYLBVUQW-BXUZGUMPSA-N 1 2 302.353 2.522 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000362377898 336794144 /nfs/dbraw/zinc/79/41/44/336794144.db2.gz AFENRYDSKUNLQA-SMDDNHRTSA-N 1 2 302.353 2.522 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000362377896 336794255 /nfs/dbraw/zinc/79/42/55/336794255.db2.gz AFENRYDSKUNLQA-FZMZJTMJSA-N 1 2 302.353 2.522 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000115538461 336824868 /nfs/dbraw/zinc/82/48/68/336824868.db2.gz CJMQAEADDYYBRB-INIZCTEOSA-N 1 2 301.365 2.557 20 30 DFEDLO C=CC[C@@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369495325 336866089 /nfs/dbraw/zinc/86/60/89/336866089.db2.gz ZCSNUNNKWDOGOQ-NVXWUHKLSA-N 1 2 309.413 2.922 20 30 DFEDLO C=C(C)[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000372205996 336924858 /nfs/dbraw/zinc/92/48/58/336924858.db2.gz YMEIZORKXKGFFG-INIZCTEOSA-N 1 2 317.433 2.538 20 30 DFEDLO C#CCOCCC(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000372306703 336927470 /nfs/dbraw/zinc/92/74/70/336927470.db2.gz HDIUWISSJKHNRC-UHFFFAOYSA-N 1 2 311.385 2.939 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121401646 336953150 /nfs/dbraw/zinc/95/31/50/336953150.db2.gz PSXDKOJQKZNMQQ-OAHLLOKOSA-N 1 2 321.490 2.683 20 30 DFEDLO CC(C)(C#N)CCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000375406885 337010640 /nfs/dbraw/zinc/01/06/40/337010640.db2.gz UXVFRKXFEAHELX-AWEZNQCLSA-N 1 2 305.447 2.941 20 30 DFEDLO CC(C)(C#N)CCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000375406885 337010641 /nfs/dbraw/zinc/01/06/41/337010641.db2.gz UXVFRKXFEAHELX-AWEZNQCLSA-N 1 2 305.447 2.941 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375634914 337015244 /nfs/dbraw/zinc/01/52/44/337015244.db2.gz MSHAQHYMKTYWMY-GJZGRUSLSA-N 1 2 302.422 2.704 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000375729428 337018052 /nfs/dbraw/zinc/01/80/52/337018052.db2.gz GTRBQYWWVGXYDE-UHFFFAOYSA-N 1 2 315.373 2.597 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000375729428 337018053 /nfs/dbraw/zinc/01/80/53/337018053.db2.gz GTRBQYWWVGXYDE-UHFFFAOYSA-N 1 2 315.373 2.597 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375842250 337021154 /nfs/dbraw/zinc/02/11/54/337021154.db2.gz VCWSODJSUYPHID-HNNXBMFYSA-N 1 2 300.381 2.781 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375842250 337021155 /nfs/dbraw/zinc/02/11/55/337021155.db2.gz VCWSODJSUYPHID-HNNXBMFYSA-N 1 2 300.381 2.781 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376013434 337025181 /nfs/dbraw/zinc/02/51/81/337025181.db2.gz ODIRTMWNFNYEOU-HNNXBMFYSA-N 1 2 311.385 2.711 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000376013434 337025182 /nfs/dbraw/zinc/02/51/82/337025182.db2.gz ODIRTMWNFNYEOU-HNNXBMFYSA-N 1 2 311.385 2.711 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000376919341 337043691 /nfs/dbraw/zinc/04/36/91/337043691.db2.gz RDEXQCAKZRWNGB-KRWDZBQOSA-N 1 2 322.412 2.606 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000377387923 337051536 /nfs/dbraw/zinc/05/15/36/337051536.db2.gz CCVGQLBGDSCVLA-KBPBESRZSA-N 1 2 305.447 2.869 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nccs1 ZINC000377387923 337051537 /nfs/dbraw/zinc/05/15/37/337051537.db2.gz CCVGQLBGDSCVLA-KBPBESRZSA-N 1 2 305.447 2.869 20 30 DFEDLO C#Cc1ccc(C[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000377612466 337056102 /nfs/dbraw/zinc/05/61/02/337056102.db2.gz AFQQQGYRVNTABK-GOSISDBHSA-N 1 2 302.381 2.974 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176577260 337152170 /nfs/dbraw/zinc/15/21/70/337152170.db2.gz REMCRQMLYYUZHQ-OAHLLOKOSA-N 1 2 322.474 2.902 20 30 DFEDLO N#CCc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178165215 337162783 /nfs/dbraw/zinc/16/27/83/337162783.db2.gz JBILUMJWKCMUAY-UHFFFAOYSA-N 1 2 305.341 2.722 20 30 DFEDLO N#CCSc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178379842 337164222 /nfs/dbraw/zinc/16/42/22/337164222.db2.gz HTWRMYDXFWLLSB-UHFFFAOYSA-N 1 2 322.393 2.880 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000178760624 337164841 /nfs/dbraw/zinc/16/48/41/337164841.db2.gz HUFSFIXWAGXASP-ZDUSSCGKSA-N 1 2 308.385 2.885 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000180424698 337174359 /nfs/dbraw/zinc/17/43/59/337174359.db2.gz DRODXULHGJRTHZ-AWEZNQCLSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000180424698 337174360 /nfs/dbraw/zinc/17/43/60/337174360.db2.gz DRODXULHGJRTHZ-AWEZNQCLSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000191133577 337294409 /nfs/dbraw/zinc/29/44/09/337294409.db2.gz WQSGINHDYPJJKU-UHFFFAOYSA-N 1 2 317.389 2.770 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000191133577 337294410 /nfs/dbraw/zinc/29/44/10/337294410.db2.gz WQSGINHDYPJJKU-UHFFFAOYSA-N 1 2 317.389 2.770 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C1CC1 ZINC000007017051 337385143 /nfs/dbraw/zinc/38/51/43/337385143.db2.gz HAJUIPOPWGQXBM-IBGZPJMESA-N 1 2 309.413 2.584 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C1CC1 ZINC000007017051 337385144 /nfs/dbraw/zinc/38/51/44/337385144.db2.gz HAJUIPOPWGQXBM-IBGZPJMESA-N 1 2 309.413 2.584 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425606900 337398206 /nfs/dbraw/zinc/39/82/06/337398206.db2.gz GDMQWKPKENZFJC-LSDHHAIUSA-N 1 2 317.437 2.559 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000571873963 337579546 /nfs/dbraw/zinc/57/95/46/337579546.db2.gz LUSQCIULKVVNAL-CJNGLKHVSA-N 1 2 315.348 2.931 20 30 DFEDLO C#Cc1cccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000079216917 337617241 /nfs/dbraw/zinc/61/72/41/337617241.db2.gz PNJDQOGVGVISRM-UHFFFAOYSA-N 1 2 317.352 2.570 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000580436062 337675043 /nfs/dbraw/zinc/67/50/43/337675043.db2.gz MUPFWCAIJNKADU-YIZWMMSDSA-N 1 2 319.371 2.705 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000527829340 337767280 /nfs/dbraw/zinc/76/72/80/337767280.db2.gz BYOKFFBVNBJDQR-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936058 337910589 /nfs/dbraw/zinc/91/05/89/337910589.db2.gz DINXIHJTDGISDW-UHFFFAOYSA-N 1 2 323.444 2.637 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)cc1 ZINC000428457539 338052957 /nfs/dbraw/zinc/05/29/57/338052957.db2.gz JVWUCENDOKOQRU-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)cc1 ZINC000428457539 338052958 /nfs/dbraw/zinc/05/29/58/338052958.db2.gz JVWUCENDOKOQRU-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO N#CCCC[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000430934520 338119154 /nfs/dbraw/zinc/11/91/54/338119154.db2.gz PDOFHLCBOWTGQM-INIZCTEOSA-N 1 2 311.389 2.617 20 30 DFEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1ncc(Br)cn1 ZINC000432986592 338175332 /nfs/dbraw/zinc/17/53/32/338175332.db2.gz AQJAXVNKFKCCKC-LBPRGKRZSA-N 1 2 316.202 2.941 20 30 DFEDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290120 338189645 /nfs/dbraw/zinc/18/96/45/338189645.db2.gz RWODPAASHDJJED-OLZOCXBDSA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290120 338189646 /nfs/dbraw/zinc/18/96/46/338189646.db2.gz RWODPAASHDJJED-OLZOCXBDSA-N 1 2 305.397 2.873 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433299180 338190248 /nfs/dbraw/zinc/19/02/48/338190248.db2.gz BFMDNHKOFQKOEN-CQSZACIVSA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433299180 338190249 /nfs/dbraw/zinc/19/02/49/338190249.db2.gz BFMDNHKOFQKOEN-CQSZACIVSA-N 1 2 301.434 2.908 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301456 338190543 /nfs/dbraw/zinc/19/05/43/338190543.db2.gz VQPUIBRKWXJDJX-GFCCVEGCSA-N 1 2 323.387 2.966 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301456 338190544 /nfs/dbraw/zinc/19/05/44/338190544.db2.gz VQPUIBRKWXJDJX-GFCCVEGCSA-N 1 2 323.387 2.966 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433303583 338190636 /nfs/dbraw/zinc/19/06/36/338190636.db2.gz LIQIEKMDJVLQKZ-UHFFFAOYSA-N 1 2 317.433 2.525 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433303583 338190637 /nfs/dbraw/zinc/19/06/37/338190637.db2.gz LIQIEKMDJVLQKZ-UHFFFAOYSA-N 1 2 317.433 2.525 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433496233 338195847 /nfs/dbraw/zinc/19/58/47/338195847.db2.gz DVOCWSCKMLFUBA-SQWLQELKSA-N 1 2 320.437 2.684 20 30 DFEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC12CCCC2 ZINC000448557588 338237595 /nfs/dbraw/zinc/23/75/95/338237595.db2.gz RECBVZUZZJSLTJ-HXUWFJFHSA-N 1 2 323.440 2.805 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437465089 338311008 /nfs/dbraw/zinc/31/10/08/338311008.db2.gz DMZVGWGERCWUSB-NVXWUHKLSA-N 1 2 311.385 2.583 20 30 DFEDLO CC(C)=CC[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1 ZINC000439480715 338371309 /nfs/dbraw/zinc/37/13/09/338371309.db2.gz DZUFWRAQDOQNPO-UHFFFAOYSA-N 1 2 305.809 2.748 20 30 DFEDLO CC(C)=CC[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1 ZINC000439480715 338371310 /nfs/dbraw/zinc/37/13/10/338371310.db2.gz DZUFWRAQDOQNPO-UHFFFAOYSA-N 1 2 305.809 2.748 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000448768540 338574423 /nfs/dbraw/zinc/57/44/23/338574423.db2.gz DQMSWAUDYRVRRN-NHYWBVRUSA-N 1 2 304.419 2.617 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000448901627 338579130 /nfs/dbraw/zinc/57/91/30/338579130.db2.gz WWYFBCVBYANRLO-IYOUNJFTSA-N 1 2 315.392 2.581 20 30 DFEDLO N#CCN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449020633 338584374 /nfs/dbraw/zinc/58/43/74/338584374.db2.gz WLWBIBSLROOZHE-UHFFFAOYSA-N 1 2 316.405 2.590 20 30 DFEDLO C=CC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451423031 338734012 /nfs/dbraw/zinc/73/40/12/338734012.db2.gz QWJJWWQCIGSNDC-ZDUSSCGKSA-N 1 2 314.345 2.865 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CCCC#N)ccc2n1[C@@H](C)CO ZINC000456701831 338937527 /nfs/dbraw/zinc/93/75/27/338937527.db2.gz PIVIEYGATZKGGQ-NSHDSACASA-N 1 2 300.362 2.530 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459094176 339013512 /nfs/dbraw/zinc/01/35/12/339013512.db2.gz CSTOPIVCZNQXJX-ZFWWWQNUSA-N 1 2 314.389 2.922 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000459466301 339030801 /nfs/dbraw/zinc/03/08/01/339030801.db2.gz OGRWASJZNJKWQN-GXFFZTMASA-N 1 2 309.316 2.508 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459470046 339031091 /nfs/dbraw/zinc/03/10/91/339031091.db2.gz SXWXYQZAJSJXRK-ZWNOBZJWSA-N 1 2 311.307 2.926 20 30 DFEDLO C#C[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)C(C)C ZINC000490995684 339845578 /nfs/dbraw/zinc/84/55/78/339845578.db2.gz KRDUNFIYPTXXGZ-HNNXBMFYSA-N 1 2 304.438 2.525 20 30 DFEDLO C#C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(F)cc1 ZINC000491316985 339857791 /nfs/dbraw/zinc/85/77/91/339857791.db2.gz YTKKOKPKQVPCPD-HNNXBMFYSA-N 1 2 324.346 2.593 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491734132 339877013 /nfs/dbraw/zinc/87/70/13/339877013.db2.gz RRGBESUDCCWICA-ZBFHGGJFSA-N 1 2 308.385 2.734 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895119 339911916 /nfs/dbraw/zinc/91/19/16/339911916.db2.gz HRWOJVWAHGJGNG-MGSINWNPSA-N 1 2 306.369 2.721 20 30 DFEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493229788 339920335 /nfs/dbraw/zinc/92/03/35/339920335.db2.gz VZPIWEGXIKZNQY-SREVYHEPSA-N 1 2 319.286 2.610 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc2ccccc2c1 ZINC000493365763 339924031 /nfs/dbraw/zinc/92/40/31/339924031.db2.gz IFMJXSNSPAPQTN-ZMOVQZPESA-N 1 2 307.397 2.813 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/CC2CCN(C(=O)OC)CC2)c1 ZINC000495677453 339990047 /nfs/dbraw/zinc/99/00/47/339990047.db2.gz OOBYHRIMALTZBF-LDADJPATSA-N 1 2 320.389 2.688 20 30 DFEDLO Cn1cc[nH+]c1NN=Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000496505483 340006766 /nfs/dbraw/zinc/00/67/66/340006766.db2.gz PRCMIFAAIOHESI-UHFFFAOYSA-N 1 2 322.394 2.670 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040454 341268936 /nfs/dbraw/zinc/26/89/36/341268936.db2.gz GLDKVKNJBYWNHM-OLZOCXBDSA-N 1 2 323.387 2.966 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040454 341268937 /nfs/dbraw/zinc/26/89/37/341268937.db2.gz GLDKVKNJBYWNHM-OLZOCXBDSA-N 1 2 323.387 2.966 20 30 DFEDLO C=CCC(CC=C)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000552374351 341389877 /nfs/dbraw/zinc/38/98/77/341389877.db2.gz RSKSCVRPOMWIGS-UHFFFAOYSA-N 1 2 300.393 2.848 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249274082 341395747 /nfs/dbraw/zinc/39/57/47/341395747.db2.gz LADYGKGJRHJOTM-GJZGRUSLSA-N 1 2 309.360 2.585 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249274082 341395748 /nfs/dbraw/zinc/39/57/48/341395748.db2.gz LADYGKGJRHJOTM-GJZGRUSLSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249604083 341399794 /nfs/dbraw/zinc/39/97/94/341399794.db2.gz ZDTVJUVYLCCLLA-DZGCQCFKSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249604083 341399795 /nfs/dbraw/zinc/39/97/95/341399795.db2.gz ZDTVJUVYLCCLLA-DZGCQCFKSA-N 1 2 320.458 2.606 20 30 DFEDLO C[C@@](C#N)(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000554423816 341454255 /nfs/dbraw/zinc/45/42/55/341454255.db2.gz BIUCIESNQIDBNQ-SFHVURJKSA-N 1 2 323.400 2.860 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000567791440 341633643 /nfs/dbraw/zinc/63/36/43/341633643.db2.gz RLEBXAQEOZNUMM-UHFFFAOYSA-N 1 2 318.446 2.586 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000576600081 341854677 /nfs/dbraw/zinc/85/46/77/341854677.db2.gz MWMMXAHFOSCGNG-CQSZACIVSA-N 1 2 302.422 2.776 20 30 DFEDLO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577454779 341910562 /nfs/dbraw/zinc/91/05/62/341910562.db2.gz VDRDNABPDSCYBX-MRXNPFEDSA-N 1 2 319.792 2.968 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(NCc2cc(C#N)ccc2F)[nH+]1 ZINC000301956309 528294234 /nfs/dbraw/zinc/29/42/34/528294234.db2.gz FQCXRLYYTOANPV-UHFFFAOYSA-N 1 2 314.368 2.684 20 30 DFEDLO CC(C)c1nc(NCc2cc(C#N)ccc2F)nc(N(C)C)[nH+]1 ZINC000301956309 528294240 /nfs/dbraw/zinc/29/42/40/528294240.db2.gz FQCXRLYYTOANPV-UHFFFAOYSA-N 1 2 314.368 2.684 20 30 DFEDLO COCC[N@H+](Cc1csc(C)n1)Cc1ccc(C#N)cc1 ZINC000076723490 185035910 /nfs/dbraw/zinc/03/59/10/185035910.db2.gz OPYQWNGRWBPZEZ-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO COCC[N@@H+](Cc1csc(C)n1)Cc1ccc(C#N)cc1 ZINC000076723490 185035912 /nfs/dbraw/zinc/03/59/12/185035912.db2.gz OPYQWNGRWBPZEZ-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO C#CCn1ccc(CN(CC)c2cc(C(F)(F)F)cc[nH+]2)n1 ZINC000278606899 214271181 /nfs/dbraw/zinc/27/11/81/214271181.db2.gz FOVRQEOSHBBTJV-UHFFFAOYSA-N 1 2 308.307 2.957 20 30 DFEDLO CCc1nc(C#N)cc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000596203641 398356031 /nfs/dbraw/zinc/35/60/31/398356031.db2.gz PXKAJDHILXQWPP-HNNXBMFYSA-N 1 2 322.416 2.854 20 30 DFEDLO CCCOc1cccc2c(N3CC[C@](O)(CC#N)C3)cc[nH+]c12 ZINC000591975711 398366648 /nfs/dbraw/zinc/36/66/48/398366648.db2.gz QWNFMYUPXUUHIE-GOSISDBHSA-N 1 2 311.385 2.878 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000066314330 398369100 /nfs/dbraw/zinc/36/91/00/398369100.db2.gz UATDLFKFAJOPQF-AWEZNQCLSA-N 1 2 315.417 2.832 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000578765248 398375768 /nfs/dbraw/zinc/37/57/68/398375768.db2.gz PMCQGBYIOCKGQX-UHFFFAOYSA-N 1 2 320.458 2.996 20 30 DFEDLO CC(C)N(CCC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000579611086 398381889 /nfs/dbraw/zinc/38/18/89/398381889.db2.gz NQOODHVZQWGRLP-LLVKDONJSA-N 1 2 316.327 2.607 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000181310712 199280485 /nfs/dbraw/zinc/28/04/85/199280485.db2.gz LGZFQXGZSVKWFM-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000181310712 199280487 /nfs/dbraw/zinc/28/04/87/199280487.db2.gz LGZFQXGZSVKWFM-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592104398 398384696 /nfs/dbraw/zinc/38/46/96/398384696.db2.gz UZOITLFPUJETCH-AWEZNQCLSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592104398 398384702 /nfs/dbraw/zinc/38/47/02/398384702.db2.gz UZOITLFPUJETCH-AWEZNQCLSA-N 1 2 301.390 2.507 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000579906867 398383965 /nfs/dbraw/zinc/38/39/65/398383965.db2.gz SQBZUZIEMKKYJG-CABCVRRESA-N 1 2 302.422 2.819 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361163 185313846 /nfs/dbraw/zinc/31/38/46/185313846.db2.gz HCUPGSBJTAMRKX-GFCCVEGCSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361163 185313847 /nfs/dbraw/zinc/31/38/47/185313847.db2.gz HCUPGSBJTAMRKX-GFCCVEGCSA-N 1 2 317.813 2.654 20 30 DFEDLO C[N@H+](Cc1ccncc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000592126305 398388002 /nfs/dbraw/zinc/38/80/02/398388002.db2.gz MRHIGLKREPZNAJ-INIZCTEOSA-N 1 2 301.777 2.772 20 30 DFEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000592126305 398388003 /nfs/dbraw/zinc/38/80/03/398388003.db2.gz MRHIGLKREPZNAJ-INIZCTEOSA-N 1 2 301.777 2.772 20 30 DFEDLO Cc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)o1 ZINC000592146562 398391634 /nfs/dbraw/zinc/39/16/34/398391634.db2.gz JJTNIUHQFDQVHJ-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)o1 ZINC000592146562 398391637 /nfs/dbraw/zinc/39/16/37/398391637.db2.gz JJTNIUHQFDQVHJ-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000014914311 398391935 /nfs/dbraw/zinc/39/19/35/398391935.db2.gz KEMIDFRNYBPBJC-IJLUTSLNSA-N 1 2 321.808 2.648 20 30 DFEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151806 398392225 /nfs/dbraw/zinc/39/22/25/398392225.db2.gz RLMJZIBTVPGBNJ-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151806 398392231 /nfs/dbraw/zinc/39/22/31/398392231.db2.gz RLMJZIBTVPGBNJ-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147150 398392521 /nfs/dbraw/zinc/39/25/21/398392521.db2.gz MDSXIUUFHXROFP-ZBEGNZNMSA-N 1 2 320.343 2.843 20 30 DFEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147150 398392522 /nfs/dbraw/zinc/39/25/22/398392522.db2.gz MDSXIUUFHXROFP-ZBEGNZNMSA-N 1 2 320.343 2.843 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000592147762 398392759 /nfs/dbraw/zinc/39/27/59/398392759.db2.gz ODZIFXGKQNIPFR-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000592147762 398392761 /nfs/dbraw/zinc/39/27/61/398392761.db2.gz ODZIFXGKQNIPFR-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000592158202 398393447 /nfs/dbraw/zinc/39/34/47/398393447.db2.gz YVLPROHYUBTHLP-CQSZACIVSA-N 1 2 305.422 2.874 20 30 DFEDLO C=CCCSCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000596413066 398406767 /nfs/dbraw/zinc/40/67/67/398406767.db2.gz CJENTNLDKOEHNB-CQSZACIVSA-N 1 2 322.478 2.549 20 30 DFEDLO C=CCCSCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000596413066 398406770 /nfs/dbraw/zinc/40/67/70/398406770.db2.gz CJENTNLDKOEHNB-CQSZACIVSA-N 1 2 322.478 2.549 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000021739872 398413915 /nfs/dbraw/zinc/41/39/15/398413915.db2.gz JFYFJGIOGMCXGO-QGZVFWFLSA-N 1 2 316.364 2.811 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000086277113 398419985 /nfs/dbraw/zinc/41/99/85/398419985.db2.gz WUECBUSUVAZBFI-UHFFFAOYSA-N 1 2 307.332 2.772 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000086277113 398419988 /nfs/dbraw/zinc/41/99/88/398419988.db2.gz WUECBUSUVAZBFI-UHFFFAOYSA-N 1 2 307.332 2.772 20 30 DFEDLO CCOc1c(Cl)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592524276 398442068 /nfs/dbraw/zinc/44/20/68/398442068.db2.gz WXOJOCIZIUMHIR-MRXNPFEDSA-N 1 2 324.808 2.598 20 30 DFEDLO CCOc1c(Cl)cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592524276 398442070 /nfs/dbraw/zinc/44/20/70/398442070.db2.gz WXOJOCIZIUMHIR-MRXNPFEDSA-N 1 2 324.808 2.598 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000267691859 398444116 /nfs/dbraw/zinc/44/41/16/398444116.db2.gz QYGBMLIOTLHMME-WMLDXEAASA-N 1 2 323.400 2.690 20 30 DFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325747 398451973 /nfs/dbraw/zinc/45/19/73/398451973.db2.gz FCUHHLSZNTVMDD-ZDUSSCGKSA-N 1 2 318.380 2.988 20 30 DFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325747 398451977 /nfs/dbraw/zinc/45/19/77/398451977.db2.gz FCUHHLSZNTVMDD-ZDUSSCGKSA-N 1 2 318.380 2.988 20 30 DFEDLO CCC1(CC)CN(c2cc(C)[nH+]c(C)c2C#N)CC[S@]1=O ZINC000302216756 282378835 /nfs/dbraw/zinc/37/88/35/282378835.db2.gz IXMNUHOVMWPUOZ-NRFANRHFSA-N 1 2 305.447 2.698 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000029447424 398485480 /nfs/dbraw/zinc/48/54/80/398485480.db2.gz MWPOZZGUGKDLAC-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000029667770 398489535 /nfs/dbraw/zinc/48/95/35/398489535.db2.gz GAFNBIALHNMRFG-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO Cc1cc(NC(=O)C[NH2+][C@H](C)CC#N)ccc1Br ZINC000068616055 398516572 /nfs/dbraw/zinc/51/65/72/398516572.db2.gz YERRIJWDHVUCHL-SNVBAGLBSA-N 1 2 310.195 2.588 20 30 DFEDLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000588953334 398519738 /nfs/dbraw/zinc/51/97/38/398519738.db2.gz SMBUGHLVBNJGSU-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000588953334 398519745 /nfs/dbraw/zinc/51/97/45/398519745.db2.gz SMBUGHLVBNJGSU-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1(C#N)CCC1 ZINC000596911700 398527891 /nfs/dbraw/zinc/52/78/91/398527891.db2.gz WJOGAPMNGDZNCF-OAHLLOKOSA-N 1 2 308.385 2.836 20 30 DFEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccnc(C#N)c1)CC1CC1 ZINC000593072343 398537933 /nfs/dbraw/zinc/53/79/33/398537933.db2.gz XYTSVAZJRDMSHE-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccnc(C#N)c1)CC1CC1 ZINC000593072343 398537936 /nfs/dbraw/zinc/53/79/36/398537936.db2.gz XYTSVAZJRDMSHE-UHFFFAOYSA-N 1 2 301.390 2.507 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596973072 398538661 /nfs/dbraw/zinc/53/86/61/398538661.db2.gz FMDUOAARDHBVMR-MRXNPFEDSA-N 1 2 320.396 2.601 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596973072 398538663 /nfs/dbraw/zinc/53/86/63/398538663.db2.gz FMDUOAARDHBVMR-MRXNPFEDSA-N 1 2 320.396 2.601 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012988 398546611 /nfs/dbraw/zinc/54/66/11/398546611.db2.gz GTOXIDGQQSJWHS-HKZYLEAXSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012988 398546615 /nfs/dbraw/zinc/54/66/15/398546615.db2.gz GTOXIDGQQSJWHS-HKZYLEAXSA-N 1 2 302.443 2.583 20 30 DFEDLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589314930 398544869 /nfs/dbraw/zinc/54/48/69/398544869.db2.gz KBNLPESZTIWMLJ-GFCCVEGCSA-N 1 2 301.371 2.637 20 30 DFEDLO N#Cc1cccc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000589499254 398557131 /nfs/dbraw/zinc/55/71/31/398557131.db2.gz MTRXKDPRBYWHQF-MRXNPFEDSA-N 1 2 321.384 2.532 20 30 DFEDLO Cc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000593155607 398560591 /nfs/dbraw/zinc/56/05/91/398560591.db2.gz JXLUWENKUMEJOQ-MRXNPFEDSA-N 1 2 307.825 2.541 20 30 DFEDLO CC(C)Cc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593154481 398559440 /nfs/dbraw/zinc/55/94/40/398559440.db2.gz WCGGLOLINHQSLZ-IBGZPJMESA-N 1 2 315.461 2.778 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc(C#N)ccn1 ZINC000589535723 398559460 /nfs/dbraw/zinc/55/94/60/398559460.db2.gz SBPPEOUNGLWUGG-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000589536558 398559751 /nfs/dbraw/zinc/55/97/51/398559751.db2.gz WWHOKUVJXAQFLL-OAHLLOKOSA-N 1 2 324.384 2.848 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000597080852 398561919 /nfs/dbraw/zinc/56/19/19/398561919.db2.gz UJEKAWBBWOJDIO-MSOLQXFVSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000597080852 398561923 /nfs/dbraw/zinc/56/19/23/398561923.db2.gz UJEKAWBBWOJDIO-MSOLQXFVSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000597080855 398562226 /nfs/dbraw/zinc/56/22/26/398562226.db2.gz UJEKAWBBWOJDIO-ZWKOTPCHSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000597080855 398562230 /nfs/dbraw/zinc/56/22/30/398562230.db2.gz UJEKAWBBWOJDIO-ZWKOTPCHSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)S1=O ZINC000597113639 398568017 /nfs/dbraw/zinc/56/80/17/398568017.db2.gz QCFXBTPORBWIBI-KBPBESRZSA-N 1 2 302.443 2.583 20 30 DFEDLO C=CCCOCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000280541411 334968100 /nfs/dbraw/zinc/96/81/00/334968100.db2.gz DJBPVSAJIVHLQE-HNNXBMFYSA-N 1 2 320.437 2.732 20 30 DFEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC#N)C2)o1 ZINC000589708179 398572378 /nfs/dbraw/zinc/57/23/78/398572378.db2.gz PWFNXGJLZVFBOK-AWEZNQCLSA-N 1 2 318.421 2.525 20 30 DFEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC#N)C2)o1 ZINC000589708179 398572382 /nfs/dbraw/zinc/57/23/82/398572382.db2.gz PWFNXGJLZVFBOK-AWEZNQCLSA-N 1 2 318.421 2.525 20 30 DFEDLO N#Cc1cccnc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000069447787 398570471 /nfs/dbraw/zinc/57/04/71/398570471.db2.gz XAEDLQMJAKUOSB-AWEZNQCLSA-N 1 2 314.414 2.500 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000597165799 398580724 /nfs/dbraw/zinc/58/07/24/398580724.db2.gz MEJXBFGAPACPGN-MCIONIFRSA-N 1 2 314.776 2.558 20 30 DFEDLO COc1ccccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184705 398583796 /nfs/dbraw/zinc/58/37/96/398583796.db2.gz ZLYQQLFPZDFVRR-UHFFFAOYSA-N 1 2 313.426 2.951 20 30 DFEDLO CCCn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597184056 398584107 /nfs/dbraw/zinc/58/41/07/398584107.db2.gz RTXJYHUQSSLGFF-UHFFFAOYSA-N 1 2 315.446 2.548 20 30 DFEDLO N#Cc1c(Cl)nsc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000092623954 398588360 /nfs/dbraw/zinc/58/83/60/398588360.db2.gz DZIVZTVCCKKXFI-UHFFFAOYSA-N 1 2 316.777 2.861 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597196534 398587592 /nfs/dbraw/zinc/58/75/92/398587592.db2.gz FOETVWGXYLNWMA-TZMCWYRMSA-N 1 2 304.390 2.884 20 30 DFEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)c(Br)c1 ZINC000597203567 398589853 /nfs/dbraw/zinc/58/98/53/398589853.db2.gz KYSPZFXTCRWRHK-UHFFFAOYSA-N 1 2 323.190 2.581 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000070695448 398596239 /nfs/dbraw/zinc/59/62/39/398596239.db2.gz GONDNKNHUWZVRY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000070695448 398596244 /nfs/dbraw/zinc/59/62/44/398596244.db2.gz GONDNKNHUWZVRY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO N#CCCCCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350188769 398597748 /nfs/dbraw/zinc/59/77/48/398597748.db2.gz ZMSPZMYCRKHAIL-ZIAGYGMSSA-N 1 2 304.394 2.622 20 30 DFEDLO N#CCCCCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350188769 398597750 /nfs/dbraw/zinc/59/77/50/398597750.db2.gz ZMSPZMYCRKHAIL-ZIAGYGMSSA-N 1 2 304.394 2.622 20 30 DFEDLO COc1ccc(C)cc1C[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590154476 398600869 /nfs/dbraw/zinc/60/08/69/398600869.db2.gz HBLPPZJHEXTDLZ-WMZOPIPTSA-N 1 2 313.445 2.814 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]2CCC[C@H]21 ZINC000590147373 398601292 /nfs/dbraw/zinc/60/12/92/398601292.db2.gz YATFPUKJSXVFEV-ZIAGYGMSSA-N 1 2 310.405 2.755 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]2CCC[C@H]21 ZINC000590147368 398601317 /nfs/dbraw/zinc/60/13/17/398601317.db2.gz YATFPUKJSXVFEV-KGLIPLIRSA-N 1 2 310.405 2.755 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)C2 ZINC000597249740 398607526 /nfs/dbraw/zinc/60/75/26/398607526.db2.gz ZGGDMTUARYJAID-ACJLOTCBSA-N 1 2 314.433 2.802 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)CC2 ZINC000597249740 398607527 /nfs/dbraw/zinc/60/75/27/398607527.db2.gz ZGGDMTUARYJAID-ACJLOTCBSA-N 1 2 314.433 2.802 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000593388704 398616756 /nfs/dbraw/zinc/61/67/56/398616756.db2.gz JTZJHDWEHSMSFO-AWEZNQCLSA-N 1 2 305.809 2.534 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@@]2(C#N)C[C@@H]2C)n1 ZINC000351094011 398617220 /nfs/dbraw/zinc/61/72/20/398617220.db2.gz RIHOAWPUGDKWOU-APPDUMDISA-N 1 2 307.357 2.831 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000593417219 398622948 /nfs/dbraw/zinc/62/29/48/398622948.db2.gz PKTSPXIEJMQYBQ-GFCCVEGCSA-N 1 2 306.435 2.863 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(CC)CC2)c1C ZINC000072724032 398633979 /nfs/dbraw/zinc/63/39/79/398633979.db2.gz FWVLGBGCSHAYIX-UHFFFAOYSA-N 1 2 304.434 2.711 20 30 DFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1SC ZINC000072690693 398630994 /nfs/dbraw/zinc/63/09/94/398630994.db2.gz RXBVHSLLBGIWDI-UHFFFAOYSA-N 1 2 321.446 2.599 20 30 DFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1SC ZINC000072690693 398630998 /nfs/dbraw/zinc/63/09/98/398630998.db2.gz RXBVHSLLBGIWDI-UHFFFAOYSA-N 1 2 321.446 2.599 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)S[C@H](C)C2)c(C#N)c1C ZINC000072768872 398635724 /nfs/dbraw/zinc/63/57/24/398635724.db2.gz XBLRZXCACNSZJR-FOGDFJRCSA-N 1 2 321.446 2.921 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440266 398641545 /nfs/dbraw/zinc/64/15/45/398641545.db2.gz FJEFAEHBCWHRGR-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440266 398641549 /nfs/dbraw/zinc/64/15/49/398641549.db2.gz FJEFAEHBCWHRGR-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648847 398645442 /nfs/dbraw/zinc/64/54/42/398645442.db2.gz GNTARXZCDNSVEQ-RHSMWYFYSA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648847 398645443 /nfs/dbraw/zinc/64/54/43/398645443.db2.gz GNTARXZCDNSVEQ-RHSMWYFYSA-N 1 2 320.458 2.819 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593552249 398655515 /nfs/dbraw/zinc/65/55/15/398655515.db2.gz JUWVAPCHDPRJGI-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593552249 398655519 /nfs/dbraw/zinc/65/55/19/398655519.db2.gz JUWVAPCHDPRJGI-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCCCC1(F)F ZINC000590706973 398655845 /nfs/dbraw/zinc/65/58/45/398655845.db2.gz QVXBBSLCLSTOBQ-LLVKDONJSA-N 1 2 320.347 2.977 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000593571102 398657072 /nfs/dbraw/zinc/65/70/72/398657072.db2.gz AARCCUYFOPVJMT-INIZCTEOSA-N 1 2 322.412 2.560 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000590714548 398657321 /nfs/dbraw/zinc/65/73/21/398657321.db2.gz DPVSMODVCMYRRR-KRWDZBQOSA-N 1 2 312.392 2.702 20 30 DFEDLO CC(C)[C@@H]1[C@@H](C(C)C)CN1c1[nH+]cnc2c1cnn2CCC#N ZINC000590723366 398658816 /nfs/dbraw/zinc/65/88/16/398658816.db2.gz RHLUBDUJBAGDJK-HUUCEWRRSA-N 1 2 312.421 2.857 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000172715928 198140090 /nfs/dbraw/zinc/14/00/90/198140090.db2.gz VWQVHOGQXYVBHU-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000172715928 198140092 /nfs/dbraw/zinc/14/00/92/198140092.db2.gz VWQVHOGQXYVBHU-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2sc(C)nc2C)c1 ZINC000172756272 198146181 /nfs/dbraw/zinc/14/61/81/198146181.db2.gz LNCIBPBAKKUMNX-UHFFFAOYSA-N 1 2 313.426 2.812 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2sc(C)nc2C)c1 ZINC000172756272 198146183 /nfs/dbraw/zinc/14/61/83/198146183.db2.gz LNCIBPBAKKUMNX-UHFFFAOYSA-N 1 2 313.426 2.812 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000590836184 398684645 /nfs/dbraw/zinc/68/46/45/398684645.db2.gz HRACGELXOKCPIR-RLCCDNCMSA-N 1 2 321.384 2.747 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)[C@]2(C#N)CC23CCCC3)n1 ZINC000590894635 398697183 /nfs/dbraw/zinc/69/71/83/398697183.db2.gz TZUNZWSARICDCY-OAHLLOKOSA-N 1 2 304.419 2.617 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000593969599 398710425 /nfs/dbraw/zinc/71/04/25/398710425.db2.gz ATCKWCOZLCPJTM-LBPRGKRZSA-N 1 2 301.350 2.613 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000593971783 398711389 /nfs/dbraw/zinc/71/13/89/398711389.db2.gz GQZOQBVRAMSAQC-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281290013 334979233 /nfs/dbraw/zinc/97/92/33/334979233.db2.gz AFPRTCLCANJZTL-HUUCEWRRSA-N 1 2 305.422 2.938 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593974799 398712235 /nfs/dbraw/zinc/71/22/35/398712235.db2.gz YXAVKGXIOLHSFF-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593974799 398712238 /nfs/dbraw/zinc/71/22/38/398712238.db2.gz YXAVKGXIOLHSFF-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000594008922 398720293 /nfs/dbraw/zinc/72/02/93/398720293.db2.gz LUGUSZNTBVEQRO-LBPRGKRZSA-N 1 2 324.222 2.978 20 30 DFEDLO COC(=O)c1cnoc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035035 398727243 /nfs/dbraw/zinc/72/72/43/398727243.db2.gz JVWZUKICORVINE-UHFFFAOYSA-N 1 2 311.341 2.502 20 30 DFEDLO C=CCCSCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000597972527 398730086 /nfs/dbraw/zinc/73/00/86/398730086.db2.gz URPTVGAIWBCONJ-UHFFFAOYSA-N 1 2 315.442 2.971 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000047259515 398742825 /nfs/dbraw/zinc/74/28/25/398742825.db2.gz SKKYWOGECMFUJQ-LLVKDONJSA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000047259515 398742827 /nfs/dbraw/zinc/74/28/27/398742827.db2.gz SKKYWOGECMFUJQ-LLVKDONJSA-N 1 2 314.414 2.782 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000047411005 398748279 /nfs/dbraw/zinc/74/82/79/398748279.db2.gz OEQIWBMDXSLOPF-OAHLLOKOSA-N 1 2 306.369 2.808 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000591322695 398748720 /nfs/dbraw/zinc/74/87/20/398748720.db2.gz IFTNJRAEWQJWMK-RDJZCZTQSA-N 1 2 320.396 2.511 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2Nc1ccc2c(c1)CCCN2 ZINC000591427118 398758897 /nfs/dbraw/zinc/75/88/97/398758897.db2.gz OYZRTXDGDKBJBC-UHFFFAOYSA-N 1 2 319.372 2.842 20 30 DFEDLO N#CCCn1ncc2c1ncnc2Nc1ccc2c(c1)CCC[NH2+]2 ZINC000591427118 398758902 /nfs/dbraw/zinc/75/89/02/398758902.db2.gz OYZRTXDGDKBJBC-UHFFFAOYSA-N 1 2 319.372 2.842 20 30 DFEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)c(C(F)(F)F)c1 ZINC000356289018 283143453 /nfs/dbraw/zinc/14/34/53/283143453.db2.gz XHIHXTUNYRNKDD-UHFFFAOYSA-N 1 2 306.291 2.789 20 30 DFEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000081011230 192212573 /nfs/dbraw/zinc/21/25/73/192212573.db2.gz OFIQXDYGTBELAC-UHFFFAOYSA-N 1 2 307.397 2.582 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000594232186 398769885 /nfs/dbraw/zinc/76/98/85/398769885.db2.gz WYQWYVFWKVONPZ-AWEZNQCLSA-N 1 2 322.412 2.514 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000594256598 398776089 /nfs/dbraw/zinc/77/60/89/398776089.db2.gz SIZFRDBVMWIYLW-OAHLLOKOSA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594273464 398777743 /nfs/dbraw/zinc/77/77/43/398777743.db2.gz OVFRYQIXCGYJIF-YJBOKZPZSA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)c1ccc(C#N)cc1 ZINC000591616619 398777039 /nfs/dbraw/zinc/77/70/39/398777039.db2.gz XAUMZBXAMAXASE-SWLSCSKDSA-N 1 2 312.373 2.686 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000594265815 398777196 /nfs/dbraw/zinc/77/71/96/398777196.db2.gz JZCYGFFKYZSWOB-CQSZACIVSA-N 1 2 322.412 2.586 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000594313058 398782088 /nfs/dbraw/zinc/78/20/88/398782088.db2.gz GLKDOBYBPACORZ-AWEZNQCLSA-N 1 2 322.412 2.866 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000594313058 398782089 /nfs/dbraw/zinc/78/20/89/398782089.db2.gz GLKDOBYBPACORZ-AWEZNQCLSA-N 1 2 322.412 2.866 20 30 DFEDLO Cc1ccc(-c2cccnc2)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000591776900 398786991 /nfs/dbraw/zinc/78/69/91/398786991.db2.gz FZDGGNISDHPKMV-GOSISDBHSA-N 1 2 324.428 2.675 20 30 DFEDLO Cc1ccc(-c2cccnc2)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000591776900 398786993 /nfs/dbraw/zinc/78/69/93/398786993.db2.gz FZDGGNISDHPKMV-GOSISDBHSA-N 1 2 324.428 2.675 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C#N ZINC000135161964 283210411 /nfs/dbraw/zinc/21/04/11/283210411.db2.gz LDQVFZUNZYWFKE-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C#N ZINC000135161964 283210412 /nfs/dbraw/zinc/21/04/12/283210412.db2.gz LDQVFZUNZYWFKE-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO N#Cc1c2c(cnc1N1CC[C@@H](CNc3cccc[nH+]3)C1)CCC2 ZINC000591818724 398791414 /nfs/dbraw/zinc/79/14/14/398791414.db2.gz ZRIPDPZEPVIGEJ-AWEZNQCLSA-N 1 2 319.412 2.775 20 30 DFEDLO Cc1cc(N[C@@H]2CCOC3(CCSCC3)C2)c(C#N)c[nH+]1 ZINC000591821611 398791759 /nfs/dbraw/zinc/79/17/59/398791759.db2.gz YYGOAOCPJOKMNV-CQSZACIVSA-N 1 2 303.431 2.540 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@]1(F)c1ccccc1 ZINC000591827489 398793356 /nfs/dbraw/zinc/79/33/56/398793356.db2.gz JOLLPPUXADWPRJ-YOEHRIQHSA-N 1 2 322.347 2.789 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000179655213 199070399 /nfs/dbraw/zinc/07/03/99/199070399.db2.gz UNJQVMHEULVHJC-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000179655213 199070401 /nfs/dbraw/zinc/07/04/01/199070401.db2.gz UNJQVMHEULVHJC-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCS1 ZINC000075715348 398819512 /nfs/dbraw/zinc/81/95/12/398819512.db2.gz VEINBTFUNFVRKG-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCS1 ZINC000075715348 398819515 /nfs/dbraw/zinc/81/95/15/398819515.db2.gz VEINBTFUNFVRKG-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000075721704 398819785 /nfs/dbraw/zinc/81/97/85/398819785.db2.gz LYWBAZPNKAWMNZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000075721704 398819787 /nfs/dbraw/zinc/81/97/87/398819787.db2.gz LYWBAZPNKAWMNZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000075961990 398830417 /nfs/dbraw/zinc/83/04/17/398830417.db2.gz QMXFQSKWERIHJJ-UHFFFAOYSA-N 1 2 323.278 2.639 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3ncccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052218850 398836084 /nfs/dbraw/zinc/83/60/84/398836084.db2.gz HBKFDNPGMQGQOI-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000052238931 398837135 /nfs/dbraw/zinc/83/71/35/398837135.db2.gz SSTUNLMEDXRZDY-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(Br)cn1 ZINC000598615794 398841588 /nfs/dbraw/zinc/84/15/88/398841588.db2.gz FWOUZSBIFWLXIZ-BXKDBHETSA-N 1 2 310.195 2.635 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598623946 398842453 /nfs/dbraw/zinc/84/24/53/398842453.db2.gz CDXQQDWUOPADLK-XYPHTWIQSA-N 1 2 320.408 2.888 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598623946 398842458 /nfs/dbraw/zinc/84/24/58/398842458.db2.gz CDXQQDWUOPADLK-XYPHTWIQSA-N 1 2 320.408 2.888 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153106 398843771 /nfs/dbraw/zinc/84/37/71/398843771.db2.gz DOQQKFQMNSXKII-RBUKOAKNSA-N 1 2 323.440 2.959 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153106 398843773 /nfs/dbraw/zinc/84/37/73/398843773.db2.gz DOQQKFQMNSXKII-RBUKOAKNSA-N 1 2 323.440 2.959 20 30 DFEDLO CCOc1cncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000598673312 398852292 /nfs/dbraw/zinc/85/22/92/398852292.db2.gz XXRIXSPUDUGMLT-UHFFFAOYSA-N 1 2 322.412 2.933 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)n2c1CCCC2 ZINC000598675716 398853159 /nfs/dbraw/zinc/85/31/59/398853159.db2.gz HVGRFTLJWIGUTN-UHFFFAOYSA-N 1 2 303.406 2.593 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C#N)n2c1CCCC2 ZINC000598675716 398853161 /nfs/dbraw/zinc/85/31/61/398853161.db2.gz HVGRFTLJWIGUTN-UHFFFAOYSA-N 1 2 303.406 2.593 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1)C1CC1 ZINC000598649178 398847720 /nfs/dbraw/zinc/84/77/20/398847720.db2.gz JGCYQJAOCHSARW-ZBFHGGJFSA-N 1 2 313.392 2.598 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649933 398848139 /nfs/dbraw/zinc/84/81/39/398848139.db2.gz NVYVINKIUFCXDB-AWEZNQCLSA-N 1 2 301.381 2.552 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000598705375 398858319 /nfs/dbraw/zinc/85/83/19/398858319.db2.gz IHMUITQDEFVVJL-ZDUSSCGKSA-N 1 2 300.324 2.808 20 30 DFEDLO CCCC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000598687966 398855549 /nfs/dbraw/zinc/85/55/49/398855549.db2.gz SMSDSSQKIBABIE-QGZVFWFLSA-N 1 2 323.481 2.523 20 30 DFEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)NCC#N ZINC000076668701 398864642 /nfs/dbraw/zinc/86/46/42/398864642.db2.gz IOISMIUVPUPKBU-VIFPVBQESA-N 1 2 300.189 2.626 20 30 DFEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)NCC#N ZINC000076668701 398864647 /nfs/dbraw/zinc/86/46/47/398864647.db2.gz IOISMIUVPUPKBU-VIFPVBQESA-N 1 2 300.189 2.626 20 30 DFEDLO C#CCC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000276629233 213011778 /nfs/dbraw/zinc/01/17/78/213011778.db2.gz JCMDFGZZESLUPN-MRXNPFEDSA-N 1 2 311.429 2.750 20 30 DFEDLO COC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(OC)c1 ZINC000594969160 398883724 /nfs/dbraw/zinc/88/37/24/398883724.db2.gz NKQYVHLWCMQSFA-CQSZACIVSA-N 1 2 303.387 2.501 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCN1CC(F)F ZINC000153460959 283369252 /nfs/dbraw/zinc/36/92/52/283369252.db2.gz DTQICTQCCBDPOT-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCN1CC(F)F ZINC000153460959 283369254 /nfs/dbraw/zinc/36/92/54/283369254.db2.gz DTQICTQCCBDPOT-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000598950102 398896623 /nfs/dbraw/zinc/89/66/23/398896623.db2.gz OKAITHJFLROWON-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000598950102 398896626 /nfs/dbraw/zinc/89/66/26/398896626.db2.gz OKAITHJFLROWON-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000186989924 200044082 /nfs/dbraw/zinc/04/40/82/200044082.db2.gz CWEGKUZTXFREJG-HNNXBMFYSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000186989924 200044083 /nfs/dbraw/zinc/04/40/83/200044083.db2.gz CWEGKUZTXFREJG-HNNXBMFYSA-N 1 2 301.781 2.640 20 30 DFEDLO Cc1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595296577 398917774 /nfs/dbraw/zinc/91/77/74/398917774.db2.gz GCAWJHJDORVFNQ-UHFFFAOYSA-N 1 2 312.329 2.928 20 30 DFEDLO Cc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595296577 398917777 /nfs/dbraw/zinc/91/77/77/398917777.db2.gz GCAWJHJDORVFNQ-UHFFFAOYSA-N 1 2 312.329 2.928 20 30 DFEDLO C=C(Cl)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000077790502 398925527 /nfs/dbraw/zinc/92/55/27/398925527.db2.gz NHEBTUQVJDQLNS-CYBMUJFWSA-N 1 2 322.771 2.700 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000282145110 334990156 /nfs/dbraw/zinc/99/01/56/334990156.db2.gz HFVDPIXSVLHABI-MRXNPFEDSA-N 1 2 314.433 2.529 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077978480 398932683 /nfs/dbraw/zinc/93/26/83/398932683.db2.gz YHTXIDGHCTXFEY-SFHVURJKSA-N 1 2 305.381 2.666 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077978480 398932686 /nfs/dbraw/zinc/93/26/86/398932686.db2.gz YHTXIDGHCTXFEY-SFHVURJKSA-N 1 2 305.381 2.666 20 30 DFEDLO CC[N@H+](CCCNC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595434174 398937111 /nfs/dbraw/zinc/93/71/11/398937111.db2.gz YZDWMQIQLVWQPU-SFHVURJKSA-N 1 2 314.433 2.848 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595434174 398937115 /nfs/dbraw/zinc/93/71/15/398937115.db2.gz YZDWMQIQLVWQPU-SFHVURJKSA-N 1 2 314.433 2.848 20 30 DFEDLO Cc1nc2[nH]ccc2c(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC000599195648 398938138 /nfs/dbraw/zinc/93/81/38/398938138.db2.gz TUSWQVNBIVZECR-UHFFFAOYSA-N 1 2 303.369 2.895 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055695908 398939923 /nfs/dbraw/zinc/93/99/23/398939923.db2.gz DYEOBZJIIORSPV-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000078320966 398948353 /nfs/dbraw/zinc/94/83/53/398948353.db2.gz QXRTZNGXIPQHAP-LLVKDONJSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000078320966 398948354 /nfs/dbraw/zinc/94/83/54/398948354.db2.gz QXRTZNGXIPQHAP-LLVKDONJSA-N 1 2 303.189 2.579 20 30 DFEDLO COc1cncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000599305231 398951493 /nfs/dbraw/zinc/95/14/93/398951493.db2.gz WPCUAYWZIUTPHL-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1cncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000599305231 398951495 /nfs/dbraw/zinc/95/14/95/398951495.db2.gz WPCUAYWZIUTPHL-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO N#CC1(CC[NH+]2CCN(c3ncns3)CC2)CCCCC1 ZINC000595518103 398955347 /nfs/dbraw/zinc/95/53/47/398955347.db2.gz ZMQQNMRGMXTMLO-UHFFFAOYSA-N 1 2 305.451 2.524 20 30 DFEDLO CC(C)(C)CNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599342812 398957115 /nfs/dbraw/zinc/95/71/15/398957115.db2.gz WNUCMZSFUAETDI-UHFFFAOYSA-N 1 2 311.429 2.810 20 30 DFEDLO CC(C)(C)CNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599342812 398957116 /nfs/dbraw/zinc/95/71/16/398957116.db2.gz WNUCMZSFUAETDI-UHFFFAOYSA-N 1 2 311.429 2.810 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599346376 398957672 /nfs/dbraw/zinc/95/76/72/398957672.db2.gz IOSJOUQWAPBZAD-MRXNPFEDSA-N 1 2 316.449 2.932 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1ccc(F)c(F)c1 ZINC000604559803 398958358 /nfs/dbraw/zinc/95/83/58/398958358.db2.gz VRNWNBUJOWGATQ-UHFFFAOYSA-N 1 2 314.299 2.630 20 30 DFEDLO Cc1c[nH]c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000600158948 398977818 /nfs/dbraw/zinc/97/78/18/398977818.db2.gz DNRWDVZPWBQCRU-UHFFFAOYSA-N 1 2 314.364 2.772 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000613420482 398978200 /nfs/dbraw/zinc/97/82/00/398978200.db2.gz CJJBITAPQYWZTJ-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000613420482 398978206 /nfs/dbraw/zinc/97/82/06/398978206.db2.gz CJJBITAPQYWZTJ-UHFFFAOYSA-N 1 2 316.449 2.773 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)CC2 ZINC000599508011 398998686 /nfs/dbraw/zinc/99/86/86/398998686.db2.gz MAFQEOUUQSBAME-KDOFPFPSSA-N 1 2 314.433 2.733 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614412 399000722 /nfs/dbraw/zinc/00/07/22/399000722.db2.gz HRMMCHKCJOOJJQ-CXAGYDPISA-N 1 2 315.392 2.771 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614412 399000726 /nfs/dbraw/zinc/00/07/26/399000726.db2.gz HRMMCHKCJOOJJQ-CXAGYDPISA-N 1 2 315.392 2.771 20 30 DFEDLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595613873 399000907 /nfs/dbraw/zinc/00/09/07/399000907.db2.gz FMGUDRVUQKNBJH-ZDUSSCGKSA-N 1 2 303.431 2.973 20 30 DFEDLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595613873 399000909 /nfs/dbraw/zinc/00/09/09/399000909.db2.gz FMGUDRVUQKNBJH-ZDUSSCGKSA-N 1 2 303.431 2.973 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615729 399002589 /nfs/dbraw/zinc/00/25/89/399002589.db2.gz NHEDTEVBZKOHFS-NWDGAFQWSA-N 1 2 306.797 2.688 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615729 399002593 /nfs/dbraw/zinc/00/25/93/399002593.db2.gz NHEDTEVBZKOHFS-NWDGAFQWSA-N 1 2 306.797 2.688 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620764 399006582 /nfs/dbraw/zinc/00/65/82/399006582.db2.gz QBMVEVLKNADNAL-WMLDXEAASA-N 1 2 315.392 2.947 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000595620764 399006587 /nfs/dbraw/zinc/00/65/87/399006587.db2.gz QBMVEVLKNADNAL-WMLDXEAASA-N 1 2 315.392 2.947 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccnn1CC1CC1)C2 ZINC000600213355 399008473 /nfs/dbraw/zinc/00/84/73/399008473.db2.gz UTQMOBFZAQCEAH-UHFFFAOYSA-N 1 2 306.413 2.917 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccnn1CC1CC1)C2 ZINC000600213355 399008467 /nfs/dbraw/zinc/00/84/67/399008467.db2.gz UTQMOBFZAQCEAH-UHFFFAOYSA-N 1 2 306.413 2.917 20 30 DFEDLO Cc1nnc(NCCCc2[nH]c3ccccc3[nH+]2)c(C#N)c1C ZINC000079022309 399009508 /nfs/dbraw/zinc/00/95/08/399009508.db2.gz OMGUOHURUXTUAF-UHFFFAOYSA-N 1 2 306.373 2.886 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000275520327 212390531 /nfs/dbraw/zinc/39/05/31/212390531.db2.gz DVDGAZYXBAQYQH-VXGBXAGGSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000275520327 212390532 /nfs/dbraw/zinc/39/05/32/212390532.db2.gz DVDGAZYXBAQYQH-VXGBXAGGSA-N 1 2 300.362 2.842 20 30 DFEDLO Cc1cc(CNC(=O)NCC2(C#N)CCCCC2)cc(C)[nH+]1 ZINC000595654422 399022294 /nfs/dbraw/zinc/02/22/94/399022294.db2.gz YPNPPWXZLHXAQS-UHFFFAOYSA-N 1 2 300.406 2.972 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583086 399020864 /nfs/dbraw/zinc/02/08/64/399020864.db2.gz QHEZBJYQUUMWNV-AAEUAGOBSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583086 399020867 /nfs/dbraw/zinc/02/08/67/399020867.db2.gz QHEZBJYQUUMWNV-AAEUAGOBSA-N 1 2 321.446 2.814 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000595658775 399023548 /nfs/dbraw/zinc/02/35/48/399023548.db2.gz VGOUOMBFNZYRII-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000595658775 399023550 /nfs/dbraw/zinc/02/35/50/399023550.db2.gz VGOUOMBFNZYRII-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO Cc1noc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)n1 ZINC000599608643 399028047 /nfs/dbraw/zinc/02/80/47/399028047.db2.gz YRPLGOHIBOZTSN-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)n1 ZINC000599608643 399028052 /nfs/dbraw/zinc/02/80/52/399028052.db2.gz YRPLGOHIBOZTSN-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000595689566 399036825 /nfs/dbraw/zinc/03/68/25/399036825.db2.gz MNBXSOFKLPTZFS-ZYHUDNBSSA-N 1 2 314.311 2.590 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1cc(F)ccc1F ZINC000595694636 399039446 /nfs/dbraw/zinc/03/94/46/399039446.db2.gz ZUPVCVPEMUFUID-WDMOLILDSA-N 1 2 307.344 2.964 20 30 DFEDLO C=CCOCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000079398652 399040422 /nfs/dbraw/zinc/04/04/22/399040422.db2.gz XXOWVJFBDMKPLX-QGZVFWFLSA-N 1 2 313.401 2.609 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000595698970 399042559 /nfs/dbraw/zinc/04/25/59/399042559.db2.gz PYOWFYZXDHLEJS-UONOGXRCSA-N 1 2 315.442 2.797 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000595704136 399046303 /nfs/dbraw/zinc/04/63/03/399046303.db2.gz QQLDEJOBROZTPT-NWDGAFQWSA-N 1 2 314.414 2.907 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595702252 399044429 /nfs/dbraw/zinc/04/44/29/399044429.db2.gz WKJZTAGJEVBJTK-YNEHKIRRSA-N 1 2 316.361 2.594 20 30 DFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595701540 399044564 /nfs/dbraw/zinc/04/45/64/399044564.db2.gz SNGKYFMIZQXTLB-CHWSQXEVSA-N 1 2 316.361 2.514 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)c(C#N)c1C ZINC000595704204 399046167 /nfs/dbraw/zinc/04/61/67/399046167.db2.gz QWHIXADWOSNEPJ-NJZAAPMLSA-N 1 2 314.389 2.767 20 30 DFEDLO N#CC1(C[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000595723246 399054114 /nfs/dbraw/zinc/05/41/14/399054114.db2.gz TUTUJSXPLJYIKN-UHFFFAOYSA-N 1 2 320.234 2.875 20 30 DFEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000618246633 399050675 /nfs/dbraw/zinc/05/06/75/399050675.db2.gz SKHBAUKDCMFWQG-UHFFFAOYSA-N 1 2 311.385 2.727 20 30 DFEDLO COC(=O)c1occc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685593 399062837 /nfs/dbraw/zinc/06/28/37/399062837.db2.gz HHJUOOOQBHQEGV-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO COC(=O)c1occc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685593 399062844 /nfs/dbraw/zinc/06/28/44/399062844.db2.gz HHJUOOOQBHQEGV-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000606447149 399073374 /nfs/dbraw/zinc/07/33/74/399073374.db2.gz IVTRZOWVFSYLGN-KRWDZBQOSA-N 1 2 316.445 2.791 20 30 DFEDLO N#CCCN1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000618289685 399074238 /nfs/dbraw/zinc/07/42/38/399074238.db2.gz DKONPVXOIMVPJF-UHFFFAOYSA-N 1 2 312.442 2.841 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(F)c1 ZINC000305177465 284039031 /nfs/dbraw/zinc/03/90/31/284039031.db2.gz VOWLPAZNLCQKFW-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000595789895 399086537 /nfs/dbraw/zinc/08/65/37/399086537.db2.gz YJWKZLNQMHCXNK-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595789895 399086546 /nfs/dbraw/zinc/08/65/46/399086546.db2.gz YJWKZLNQMHCXNK-CHWSQXEVSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000595834595 399105140 /nfs/dbraw/zinc/10/51/40/399105140.db2.gz MWWYCQJKYRMFPO-GDZNZVCISA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000595834595 399105146 /nfs/dbraw/zinc/10/51/46/399105146.db2.gz MWWYCQJKYRMFPO-GDZNZVCISA-N 1 2 303.381 2.627 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834560 399105773 /nfs/dbraw/zinc/10/57/73/399105773.db2.gz MMVNOLNRSMFVSS-KRWDZBQOSA-N 1 2 317.458 2.602 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834560 399105775 /nfs/dbraw/zinc/10/57/75/399105775.db2.gz MMVNOLNRSMFVSS-KRWDZBQOSA-N 1 2 317.458 2.602 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841485 399109919 /nfs/dbraw/zinc/10/99/19/399109919.db2.gz VGHJHWQWMREGRE-CQDXFGNVSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841485 399109924 /nfs/dbraw/zinc/10/99/24/399109924.db2.gz VGHJHWQWMREGRE-CQDXFGNVSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841484 399110044 /nfs/dbraw/zinc/11/00/44/399110044.db2.gz VGHJHWQWMREGRE-AUCMRZJMSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841484 399110050 /nfs/dbraw/zinc/11/00/50/399110050.db2.gz VGHJHWQWMREGRE-AUCMRZJMSA-N 1 2 316.449 2.541 20 30 DFEDLO C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595845703 399111392 /nfs/dbraw/zinc/11/13/92/399111392.db2.gz UMJRXCIALHPNCS-STQMWFEESA-N 1 2 311.389 2.755 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845494 399111424 /nfs/dbraw/zinc/11/14/24/399111424.db2.gz ODAKSIUIQGXVMB-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845494 399111427 /nfs/dbraw/zinc/11/14/27/399111427.db2.gz ODAKSIUIQGXVMB-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCC1 ZINC000600677769 399115799 /nfs/dbraw/zinc/11/57/99/399115799.db2.gz AUFRPWPJDJJQTG-UHFFFAOYSA-N 1 2 322.412 2.506 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191647 284156805 /nfs/dbraw/zinc/15/68/05/284156805.db2.gz KWFLOHVHPDGZFJ-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191647 284156806 /nfs/dbraw/zinc/15/68/06/284156806.db2.gz KWFLOHVHPDGZFJ-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO C=CCc1cc(C[N@@H+](CC(=O)OC)C(C)C)cc(OC)c1O ZINC000093287082 193224894 /nfs/dbraw/zinc/22/48/94/193224894.db2.gz XWNOMRAMOPOPDA-UHFFFAOYSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CCc1cc(C[N@H+](CC(=O)OC)C(C)C)cc(OC)c1O ZINC000093287082 193224895 /nfs/dbraw/zinc/22/48/95/193224895.db2.gz XWNOMRAMOPOPDA-UHFFFAOYSA-N 1 2 307.390 2.513 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093458051 193255034 /nfs/dbraw/zinc/25/50/34/193255034.db2.gz DZZRXPUIUBVLOX-MRXNPFEDSA-N 1 2 300.383 2.899 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093458051 193255036 /nfs/dbraw/zinc/25/50/36/193255036.db2.gz DZZRXPUIUBVLOX-MRXNPFEDSA-N 1 2 300.383 2.899 20 30 DFEDLO N#CC1(c2ccc(C(=O)NCCCNc3cccc[nH+]3)cc2)CC1 ZINC000180434004 399134588 /nfs/dbraw/zinc/13/45/88/399134588.db2.gz OEBJDFLIHVSXPZ-UHFFFAOYSA-N 1 2 320.396 2.869 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600106539 399137491 /nfs/dbraw/zinc/13/74/91/399137491.db2.gz LHJWIKBBAHRVJW-GOSISDBHSA-N 1 2 322.412 2.934 20 30 DFEDLO C[C@@]1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCS1 ZINC000600106055 399136383 /nfs/dbraw/zinc/13/63/83/399136383.db2.gz HMOICOBDUYXYSP-ROUUACIJSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@@]1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCS1 ZINC000600106055 399136388 /nfs/dbraw/zinc/13/63/88/399136388.db2.gz HMOICOBDUYXYSP-ROUUACIJSA-N 1 2 315.486 2.982 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000181410954 399139581 /nfs/dbraw/zinc/13/95/81/399139581.db2.gz JTNOFVAGUCBQKJ-MRXNPFEDSA-N 1 2 316.449 2.654 20 30 DFEDLO CC(C)(C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000080354624 399139788 /nfs/dbraw/zinc/13/97/88/399139788.db2.gz JOBSYBOZZGEMAZ-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000596008115 399147263 /nfs/dbraw/zinc/14/72/63/399147263.db2.gz IHNSXCGEYLOWLQ-RDBSUJKOSA-N 1 2 315.421 2.595 20 30 DFEDLO C#CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264717802 204100318 /nfs/dbraw/zinc/10/03/18/204100318.db2.gz FWUJOABKEFYOED-AWEZNQCLSA-N 1 2 324.384 2.833 20 30 DFEDLO C=CC[C@H](CO)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000185362202 399159685 /nfs/dbraw/zinc/15/96/85/399159685.db2.gz AQYKOBNAJRJAKN-CQSZACIVSA-N 1 2 313.357 2.932 20 30 DFEDLO Cc1cc(NCc2ccc[nH+]c2N(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596073950 399163317 /nfs/dbraw/zinc/16/33/17/399163317.db2.gz NLFNLHOAIMQBGB-UHFFFAOYSA-N 1 2 311.345 2.848 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(C#N)cc3)c2cc1C ZINC000061733373 399163338 /nfs/dbraw/zinc/16/33/38/399163338.db2.gz STXNSACFWNQKEE-INIZCTEOSA-N 1 2 321.380 2.965 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCC(n2cc[nH+]c2)CC1 ZINC000596099342 399173298 /nfs/dbraw/zinc/17/32/98/399173298.db2.gz ZOAVAMGEGZRDIA-UHFFFAOYSA-N 1 2 304.357 2.539 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1nc2ncccc2cc1C#N ZINC000596107174 399176406 /nfs/dbraw/zinc/17/64/06/399176406.db2.gz STXKEJCPUDQEBF-OAHLLOKOSA-N 1 2 318.384 2.967 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1cccc(O)c1)C1(C#N)CCCCC1 ZINC000080937200 399190574 /nfs/dbraw/zinc/19/05/74/399190574.db2.gz JYYQJZUILUMZEU-UHFFFAOYSA-N 1 2 315.417 2.509 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1cccc(O)c1)C1(C#N)CCCCC1 ZINC000080937200 399190581 /nfs/dbraw/zinc/19/05/81/399190581.db2.gz JYYQJZUILUMZEU-UHFFFAOYSA-N 1 2 315.417 2.509 20 30 DFEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(COC)n1 ZINC000266216208 205189775 /nfs/dbraw/zinc/18/97/75/205189775.db2.gz PUWHWQRQRZRDPK-UHFFFAOYSA-N 1 2 302.399 2.591 20 30 DFEDLO COc1ccc(C[NH2+]Cc2cc(C)on2)cc1OCCCC#N ZINC000064614342 399228929 /nfs/dbraw/zinc/22/89/29/399228929.db2.gz VUNFATGVIPFPTP-UHFFFAOYSA-N 1 2 315.373 2.964 20 30 DFEDLO N#CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000022859992 182337888 /nfs/dbraw/zinc/33/78/88/182337888.db2.gz XLFPUTSZIHLFFP-UHFFFAOYSA-N 1 2 313.430 2.869 20 30 DFEDLO N#Cc1ccc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000601186954 399250630 /nfs/dbraw/zinc/25/06/30/399250630.db2.gz IHFJVWWTFBKMJB-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO CC(C)c1cc(N2CCN(CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000601262322 399266113 /nfs/dbraw/zinc/26/61/13/399266113.db2.gz ZTYNXFSLKIVKGB-UHFFFAOYSA-N 1 2 301.438 2.759 20 30 DFEDLO N#CCCN1CC[NH+]([C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000601316792 399276314 /nfs/dbraw/zinc/27/63/14/399276314.db2.gz PKRBSXDLQDQFHS-AWEZNQCLSA-N 1 2 307.800 2.998 20 30 DFEDLO CC1(C#N)CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601415190 399287325 /nfs/dbraw/zinc/28/73/25/399287325.db2.gz BOBNHPMWHXCVRO-UHFFFAOYSA-N 1 2 308.385 2.567 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)c3ccc(C#N)cc3F)[nH+]c12 ZINC000609217204 399309664 /nfs/dbraw/zinc/30/96/64/399309664.db2.gz ZIZDIJQJTGFBCQ-UHFFFAOYSA-N 1 2 322.343 2.859 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000601709721 399326210 /nfs/dbraw/zinc/32/62/10/399326210.db2.gz FILIPISVYAVGDK-HOTGVXAUSA-N 1 2 319.380 2.525 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000601709721 399326213 /nfs/dbraw/zinc/32/62/13/399326213.db2.gz FILIPISVYAVGDK-HOTGVXAUSA-N 1 2 319.380 2.525 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000601716056 399327893 /nfs/dbraw/zinc/32/78/93/399327893.db2.gz UFCAXOWFFJHVMB-QGZVFWFLSA-N 1 2 324.359 2.695 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000601716056 399327897 /nfs/dbraw/zinc/32/78/97/399327897.db2.gz UFCAXOWFFJHVMB-QGZVFWFLSA-N 1 2 324.359 2.695 20 30 DFEDLO OC[C@]1(F)CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000286793133 335039970 /nfs/dbraw/zinc/03/99/70/335039970.db2.gz IHBMJJDTBOOFQU-HNNXBMFYSA-N 1 2 315.310 2.853 20 30 DFEDLO OC[C@]1(F)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000286793133 335039972 /nfs/dbraw/zinc/03/99/72/335039972.db2.gz IHBMJJDTBOOFQU-HNNXBMFYSA-N 1 2 315.310 2.853 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003967 399338772 /nfs/dbraw/zinc/33/87/72/399338772.db2.gz UVDITWMDZMDRDH-CYBMUJFWSA-N 1 2 303.381 2.507 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003967 399338774 /nfs/dbraw/zinc/33/87/74/399338774.db2.gz UVDITWMDZMDRDH-CYBMUJFWSA-N 1 2 303.381 2.507 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004230 399338809 /nfs/dbraw/zinc/33/88/09/399338809.db2.gz GJNSMZOJVYTIRA-UONOGXRCSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004230 399338811 /nfs/dbraw/zinc/33/88/11/399338811.db2.gz GJNSMZOJVYTIRA-UONOGXRCSA-N 1 2 317.408 2.753 20 30 DFEDLO N#Cc1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c(F)c1 ZINC000610026612 399339964 /nfs/dbraw/zinc/33/99/64/399339964.db2.gz PDPVSVKPEZLCBA-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO C#CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000274010715 211267882 /nfs/dbraw/zinc/26/78/82/211267882.db2.gz NQBLYCSEZHPXBS-LLVKDONJSA-N 1 2 304.394 2.754 20 30 DFEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1C#N ZINC000601813200 399341292 /nfs/dbraw/zinc/34/12/92/399341292.db2.gz FFINKDIMFPKBNQ-DLBZAZTESA-N 1 2 308.385 2.696 20 30 DFEDLO Cn1c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2sc1=O ZINC000619428819 399343821 /nfs/dbraw/zinc/34/38/21/399343821.db2.gz WYISSPZMZXXQII-INIZCTEOSA-N 1 2 301.415 2.726 20 30 DFEDLO Cn1c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2sc1=O ZINC000619428819 399343823 /nfs/dbraw/zinc/34/38/23/399343823.db2.gz WYISSPZMZXXQII-INIZCTEOSA-N 1 2 301.415 2.726 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601820579 399342994 /nfs/dbraw/zinc/34/29/94/399342994.db2.gz PDKHRCXQDCQCCI-ZFWWWQNUSA-N 1 2 310.401 2.749 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601820575 399343069 /nfs/dbraw/zinc/34/30/69/399343069.db2.gz PDKHRCXQDCQCCI-HIFRSBDPSA-N 1 2 310.401 2.749 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601820577 399343118 /nfs/dbraw/zinc/34/31/18/399343118.db2.gz PDKHRCXQDCQCCI-UKRRQHHQSA-N 1 2 310.401 2.749 20 30 DFEDLO Cn1cccc1C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714274 194029182 /nfs/dbraw/zinc/02/91/82/194029182.db2.gz JDSKSOUKWYSFJA-UHFFFAOYSA-N 1 2 323.396 2.623 20 30 DFEDLO CCn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000284658533 218119470 /nfs/dbraw/zinc/11/94/70/218119470.db2.gz GTISEKRUJFBNIX-INIZCTEOSA-N 1 2 314.389 2.625 20 30 DFEDLO CN(C)c1ccc(CNc2cc(C#N)nc3ccccc32)c[nH+]1 ZINC000610246144 399350418 /nfs/dbraw/zinc/35/04/18/399350418.db2.gz FPSZMCMPRDATGQ-UHFFFAOYSA-N 1 2 303.369 2.601 20 30 DFEDLO N#Cc1cc(NC2CC[NH+](CC(F)F)CC2)c2ccccc2n1 ZINC000610274971 399352185 /nfs/dbraw/zinc/35/21/85/399352185.db2.gz RRGUTPJMPMUPKU-UHFFFAOYSA-N 1 2 316.355 2.670 20 30 DFEDLO C[C@@H](CCc1cccn1C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280895 399353115 /nfs/dbraw/zinc/35/31/15/399353115.db2.gz FUVZXHAXGYORCC-ZDUSSCGKSA-N 1 2 323.404 2.512 20 30 DFEDLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000610351591 399359770 /nfs/dbraw/zinc/35/97/70/399359770.db2.gz KMYYTYWQYRYEGG-AWEZNQCLSA-N 1 2 323.400 2.816 20 30 DFEDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(C#N)c1 ZINC000610345010 399358116 /nfs/dbraw/zinc/35/81/16/399358116.db2.gz QBRXHBUFXGHGIN-AWEZNQCLSA-N 1 2 303.369 2.990 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000610406699 399364534 /nfs/dbraw/zinc/36/45/34/399364534.db2.gz JGNHNVTYQHYUMV-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000610407219 399365285 /nfs/dbraw/zinc/36/52/85/399365285.db2.gz ZCQLBSMCWDBMPX-CQSZACIVSA-N 1 2 323.400 2.862 20 30 DFEDLO N#CC1(C[C@H](O)Cn2cc[nH+]c2-c2ccccc2)CCOCC1 ZINC000601953381 399368033 /nfs/dbraw/zinc/36/80/33/399368033.db2.gz FQGIOXFDZSFHKI-INIZCTEOSA-N 1 2 311.385 2.621 20 30 DFEDLO N#CC1(C[C@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CC1 ZINC000601957443 399368611 /nfs/dbraw/zinc/36/86/11/399368611.db2.gz HPDSQCMNOOMTMT-VIFPVBQESA-N 1 2 310.279 2.505 20 30 DFEDLO N#C[C@]1(F)CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000615661333 399369675 /nfs/dbraw/zinc/36/96/75/399369675.db2.gz FFBRXDBIWTXAIT-QGZVFWFLSA-N 1 2 311.316 2.952 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505674 399375349 /nfs/dbraw/zinc/37/53/49/399375349.db2.gz RICUMYAXYUUSAR-CJNGLKHVSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505674 399375351 /nfs/dbraw/zinc/37/53/51/399375351.db2.gz RICUMYAXYUUSAR-CJNGLKHVSA-N 1 2 303.381 2.581 20 30 DFEDLO N#Cc1c(F)cccc1CNCc1[nH+]ccn1CC(F)(F)F ZINC000601997695 399378747 /nfs/dbraw/zinc/37/87/47/399378747.db2.gz BILIINLVRFKHNX-UHFFFAOYSA-N 1 2 312.270 2.746 20 30 DFEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N1CCCC[C@H]1C ZINC000602003318 399380672 /nfs/dbraw/zinc/38/06/72/399380672.db2.gz UDPILVAKCIVJRY-OLZOCXBDSA-N 1 2 303.381 2.576 20 30 DFEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000619715975 399381857 /nfs/dbraw/zinc/38/18/57/399381857.db2.gz FQDLZDBHUDNGCX-BBRMVZONSA-N 1 2 322.836 2.746 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000623407783 399382027 /nfs/dbraw/zinc/38/20/27/399382027.db2.gz WWUKYTQMMXPBGF-HNNXBMFYSA-N 1 2 314.433 2.789 20 30 DFEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000619715978 399381404 /nfs/dbraw/zinc/38/14/04/399381404.db2.gz FQDLZDBHUDNGCX-XJKSGUPXSA-N 1 2 322.836 2.746 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000619720248 399382300 /nfs/dbraw/zinc/38/23/00/399382300.db2.gz RQQSQLLVSDBQJI-MRXNPFEDSA-N 1 2 307.365 2.534 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000619721450 399382416 /nfs/dbraw/zinc/38/24/16/399382416.db2.gz XIPQMUNDQXTWKW-INIZCTEOSA-N 1 2 309.356 2.947 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000619719217 399382169 /nfs/dbraw/zinc/38/21/69/399382169.db2.gz MXYDTVXJZWDVSF-WMLDXEAASA-N 1 2 314.429 2.630 20 30 DFEDLO N#C[C@]1(F)CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619751883 399387131 /nfs/dbraw/zinc/38/71/31/399387131.db2.gz ABTUREDYNMQSTM-QGZVFWFLSA-N 1 2 311.316 2.952 20 30 DFEDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000109785375 194285126 /nfs/dbraw/zinc/28/51/26/194285126.db2.gz DVYLNHSLXVVLDE-LLVKDONJSA-N 1 2 315.398 2.957 20 30 DFEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000109785375 194285127 /nfs/dbraw/zinc/28/51/27/194285127.db2.gz DVYLNHSLXVVLDE-LLVKDONJSA-N 1 2 315.398 2.957 20 30 DFEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000602099236 399394149 /nfs/dbraw/zinc/39/41/49/399394149.db2.gz WMBPCXHLTKLMQM-UPJWGTAASA-N 1 2 300.749 2.548 20 30 DFEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000602099236 399394154 /nfs/dbraw/zinc/39/41/54/399394154.db2.gz WMBPCXHLTKLMQM-UPJWGTAASA-N 1 2 300.749 2.548 20 30 DFEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[nH+]1 ZINC000602096431 399394353 /nfs/dbraw/zinc/39/43/53/399394353.db2.gz JLPYVBXNRANSHH-ZDUSSCGKSA-N 1 2 302.765 2.549 20 30 DFEDLO COc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2CCC#N ZINC000610708949 399395969 /nfs/dbraw/zinc/39/59/69/399395969.db2.gz CESWQBJBWFEYOU-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000159327921 197345525 /nfs/dbraw/zinc/34/55/25/197345525.db2.gz GHWPHECVJLNGHY-ZDUSSCGKSA-N 1 2 314.364 2.844 20 30 DFEDLO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000159327921 197345527 /nfs/dbraw/zinc/34/55/27/197345527.db2.gz GHWPHECVJLNGHY-ZDUSSCGKSA-N 1 2 314.364 2.844 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC000602134730 399399689 /nfs/dbraw/zinc/39/96/89/399399689.db2.gz VLOJZIYGNJVVQQ-IAGOWNOFSA-N 1 2 318.380 2.701 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC000602134730 399399693 /nfs/dbraw/zinc/39/96/93/399399693.db2.gz VLOJZIYGNJVVQQ-IAGOWNOFSA-N 1 2 318.380 2.701 20 30 DFEDLO C=CCCSCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177135 399406049 /nfs/dbraw/zinc/40/60/49/399406049.db2.gz BQZPVYVBONCESC-LLVKDONJSA-N 1 2 321.368 2.802 20 30 DFEDLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602197680 399408742 /nfs/dbraw/zinc/40/87/42/399408742.db2.gz WULQIIUQKFSRTF-TUAOUCFPSA-N 1 2 314.311 2.527 20 30 DFEDLO Cc1nc(C2([NH2+]Cc3ccnc(C#N)c3)CCCCCC2)no1 ZINC000610993486 399425845 /nfs/dbraw/zinc/42/58/45/399425845.db2.gz QONASAZAPQUMRG-UHFFFAOYSA-N 1 2 311.389 2.984 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sc2ncccc2c1Cl ZINC000602331366 399426011 /nfs/dbraw/zinc/42/60/11/399426011.db2.gz CGFUWDOWSXBJCJ-AWEZNQCLSA-N 1 2 322.821 2.523 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179687 399442701 /nfs/dbraw/zinc/44/27/01/399442701.db2.gz HNYJXEBOORTHSZ-SNVBAGLBSA-N 1 2 313.373 2.762 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179687 399442705 /nfs/dbraw/zinc/44/27/05/399442705.db2.gz HNYJXEBOORTHSZ-SNVBAGLBSA-N 1 2 313.373 2.762 20 30 DFEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000611176277 399441540 /nfs/dbraw/zinc/44/15/40/399441540.db2.gz YEJLOQRLVMEVHZ-UHFFFAOYSA-N 1 2 310.401 2.681 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000611175407 399441568 /nfs/dbraw/zinc/44/15/68/399441568.db2.gz BSNYKMXOANPJRA-UHFFFAOYSA-N 1 2 314.820 2.919 20 30 DFEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000611254211 399451866 /nfs/dbraw/zinc/45/18/66/399451866.db2.gz SQCPCIXWHUITDF-UHFFFAOYSA-N 1 2 305.447 2.700 20 30 DFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000611260337 399453090 /nfs/dbraw/zinc/45/30/90/399453090.db2.gz TWFNPQLCPRRFIB-UHFFFAOYSA-N 1 2 314.414 2.807 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@H+](CCC#N)CC1CC1 ZINC000611268786 399454769 /nfs/dbraw/zinc/45/47/69/399454769.db2.gz XKFHEJLLEFHFLX-UHFFFAOYSA-N 1 2 303.454 2.735 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000611268786 399454773 /nfs/dbraw/zinc/45/47/73/399454773.db2.gz XKFHEJLLEFHFLX-UHFFFAOYSA-N 1 2 303.454 2.735 20 30 DFEDLO C[N@H+](Cc1cccc(C#N)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602476208 399455943 /nfs/dbraw/zinc/45/59/43/399455943.db2.gz WKHRSXVKMMNMME-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602476208 399455945 /nfs/dbraw/zinc/45/59/45/399455945.db2.gz WKHRSXVKMMNMME-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO Cc1ccc([NH2+]C[C@@H](C)CCC#N)c(OCC(=O)N(C)C)c1 ZINC000602493992 399460614 /nfs/dbraw/zinc/46/06/14/399460614.db2.gz VMIVKWULBWDDDJ-AWEZNQCLSA-N 1 2 303.406 2.814 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269109724 207247927 /nfs/dbraw/zinc/24/79/27/207247927.db2.gz HMWJZOFYIYDGDH-UHFFFAOYSA-N 1 2 317.780 2.962 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000063399023 184281270 /nfs/dbraw/zinc/28/12/70/184281270.db2.gz AACTVELIIBTGAW-UHFFFAOYSA-N 1 2 323.400 2.543 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000287363657 335045591 /nfs/dbraw/zinc/04/55/91/335045591.db2.gz IGDQITXHEFEHTQ-ZFWWWQNUSA-N 1 2 320.437 2.635 20 30 DFEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)[C@@H](CC)CN1CC1(C#N)CC1 ZINC000611430756 399475419 /nfs/dbraw/zinc/47/54/19/399475419.db2.gz LWHLUHCTAKFRLT-HOTGVXAUSA-N 1 2 300.450 2.769 20 30 DFEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](CC)CN1CC1(C#N)CC1 ZINC000611430756 399475421 /nfs/dbraw/zinc/47/54/21/399475421.db2.gz LWHLUHCTAKFRLT-HOTGVXAUSA-N 1 2 300.450 2.769 20 30 DFEDLO N#CC1(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 ZINC000611429377 399475717 /nfs/dbraw/zinc/47/57/17/399475717.db2.gz IUJAFNSIEKSCTB-UHFFFAOYSA-N 1 2 309.373 2.615 20 30 DFEDLO CCc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc[nH+]1 ZINC000611541117 399489800 /nfs/dbraw/zinc/48/98/00/399489800.db2.gz YSPQYVHIXOYFMD-INIZCTEOSA-N 1 2 321.384 2.518 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578169 399495426 /nfs/dbraw/zinc/49/54/26/399495426.db2.gz NVPRUFOWCOWFHI-FZMZJTMJSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578169 399495428 /nfs/dbraw/zinc/49/54/28/399495428.db2.gz NVPRUFOWCOWFHI-FZMZJTMJSA-N 1 2 323.343 2.589 20 30 DFEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611576946 399495494 /nfs/dbraw/zinc/49/54/94/399495494.db2.gz FNVJIRBNSKLLBU-KRWDZBQOSA-N 1 2 311.385 2.729 20 30 DFEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611576946 399495497 /nfs/dbraw/zinc/49/54/97/399495497.db2.gz FNVJIRBNSKLLBU-KRWDZBQOSA-N 1 2 311.385 2.729 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000616772647 399511201 /nfs/dbraw/zinc/51/12/01/399511201.db2.gz JVBKBMMIEZCGFL-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120063252 195089692 /nfs/dbraw/zinc/08/96/92/195089692.db2.gz UOMPPYIRTVFJAN-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120063252 195089694 /nfs/dbraw/zinc/08/96/94/195089694.db2.gz UOMPPYIRTVFJAN-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cn2ccc(C)cc2[nH+]1)OCC ZINC000270130360 208190840 /nfs/dbraw/zinc/19/08/40/208190840.db2.gz XPYBEEOBLOYJQP-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cn2cc(C)ccc2[nH+]1)OCC ZINC000270133616 208192810 /nfs/dbraw/zinc/19/28/10/208192810.db2.gz YIKXQEXJRBSSMS-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602717204 399536327 /nfs/dbraw/zinc/53/63/27/399536327.db2.gz YDZJHMQEOHNVMB-INIZCTEOSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602717204 399536330 /nfs/dbraw/zinc/53/63/30/399536330.db2.gz YDZJHMQEOHNVMB-INIZCTEOSA-N 1 2 311.360 2.883 20 30 DFEDLO CCOC(=O)[C@@]1([NH2+]C[C@H](C)CCC#N)CCc2ccccc21 ZINC000602727297 399543054 /nfs/dbraw/zinc/54/30/54/399543054.db2.gz CIONWYQJJIKINN-RDTXWAMCSA-N 1 2 300.402 2.921 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccc(OC)c(O)c1)C(=O)OC ZINC000602733526 399546873 /nfs/dbraw/zinc/54/68/73/399546873.db2.gz JAXPPSNOLIPCRR-UKRRQHHQSA-N 1 2 321.417 2.819 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1C#N ZINC000611939612 399546970 /nfs/dbraw/zinc/54/69/70/399546970.db2.gz RVUWJEMPEFPCHP-NSHDSACASA-N 1 2 313.332 2.730 20 30 DFEDLO C=CCCCC[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624084166 399547377 /nfs/dbraw/zinc/54/73/77/399547377.db2.gz UGXGPWIUNOYCIK-CQSZACIVSA-N 1 2 301.438 2.968 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC000602752665 399555812 /nfs/dbraw/zinc/55/58/12/399555812.db2.gz YFEMFVLTWXIRJK-UHFFFAOYSA-N 1 2 311.351 2.823 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1Cl ZINC000602747555 399555209 /nfs/dbraw/zinc/55/52/09/399555209.db2.gz AVVMOPQVXZBECH-UHFFFAOYSA-N 1 2 319.836 2.936 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602758625 399558036 /nfs/dbraw/zinc/55/80/36/399558036.db2.gz GVPVBZXFJQIRED-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000602758625 399558044 /nfs/dbraw/zinc/55/80/44/399558044.db2.gz GVPVBZXFJQIRED-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO CS[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)C(C)(C)C ZINC000612098132 399581070 /nfs/dbraw/zinc/58/10/70/399581070.db2.gz DUNUNHSBGNIRLK-LBPRGKRZSA-N 1 2 318.450 2.930 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160632 399594352 /nfs/dbraw/zinc/59/43/52/399594352.db2.gz KGAQQJBHRVYTCN-DYVFJYSZSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160632 399594356 /nfs/dbraw/zinc/59/43/56/399594356.db2.gz KGAQQJBHRVYTCN-DYVFJYSZSA-N 1 2 319.836 2.970 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000156645476 197130728 /nfs/dbraw/zinc/13/07/28/197130728.db2.gz HCKPKXRETQJRGR-SFHVURJKSA-N 1 2 324.428 2.997 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000156645476 197130730 /nfs/dbraw/zinc/13/07/30/197130730.db2.gz HCKPKXRETQJRGR-SFHVURJKSA-N 1 2 324.428 2.997 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162758 399595803 /nfs/dbraw/zinc/59/58/03/399595803.db2.gz MFLRLJDWBAKOLV-IEBWSBKVSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162758 399595806 /nfs/dbraw/zinc/59/58/06/399595806.db2.gz MFLRLJDWBAKOLV-IEBWSBKVSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000612163037 399595843 /nfs/dbraw/zinc/59/58/43/399595843.db2.gz NJSSIWWUAUDONJ-SOLBZPMBSA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000612163037 399595846 /nfs/dbraw/zinc/59/58/46/399595846.db2.gz NJSSIWWUAUDONJ-SOLBZPMBSA-N 1 2 303.450 2.793 20 30 DFEDLO C=C(C)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000156261912 197099731 /nfs/dbraw/zinc/09/97/31/197099731.db2.gz MADOIYBLUYZJRE-UHFFFAOYSA-N 1 2 312.417 2.891 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H](C)N1CC#N ZINC000602856140 399605224 /nfs/dbraw/zinc/60/52/24/399605224.db2.gz JBKAUXARZPQQOZ-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H](C)N1CC#N ZINC000602856140 399605228 /nfs/dbraw/zinc/60/52/28/399605228.db2.gz JBKAUXARZPQQOZ-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ncc(-c3cccs3)o2)C[C@@H](C)N1CC#N ZINC000602855907 399605337 /nfs/dbraw/zinc/60/53/37/399605337.db2.gz JJLHWSQDNPDMBH-CHWSQXEVSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000602861348 399606830 /nfs/dbraw/zinc/60/68/30/399606830.db2.gz HFPCEEGFWACEBZ-NXEZZACHSA-N 1 2 310.195 2.668 20 30 DFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602861786 399607487 /nfs/dbraw/zinc/60/74/87/399607487.db2.gz JGAPKJUNSLWJBZ-DZGCQCFKSA-N 1 2 303.406 2.544 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c(Br)c1 ZINC000602865351 399607907 /nfs/dbraw/zinc/60/79/07/399607907.db2.gz XNRJOCJCQXXGOV-GHMZBOCLSA-N 1 2 324.222 2.976 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(Br)cc1 ZINC000602868211 399608991 /nfs/dbraw/zinc/60/89/91/399608991.db2.gz HZYAXMONEVOIIS-VHSXEESVSA-N 1 2 310.195 2.668 20 30 DFEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)ccc1Br ZINC000602871129 399609938 /nfs/dbraw/zinc/60/99/38/399609938.db2.gz YJYCBWRDSSLUQR-MNOVXSKESA-N 1 2 324.222 2.976 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602882291 399614395 /nfs/dbraw/zinc/61/43/95/399614395.db2.gz BUNPHGZSJLIKDQ-ZDUSSCGKSA-N 1 2 302.374 2.607 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602882291 399614391 /nfs/dbraw/zinc/61/43/91/399614391.db2.gz BUNPHGZSJLIKDQ-ZDUSSCGKSA-N 1 2 302.374 2.607 20 30 DFEDLO C#C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C(C)(C)C ZINC000288637317 335054414 /nfs/dbraw/zinc/05/44/14/335054414.db2.gz OPVQGCMOMTVGTR-CQSZACIVSA-N 1 2 302.422 2.621 20 30 DFEDLO CCc1nnc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602901945 399621240 /nfs/dbraw/zinc/62/12/40/399621240.db2.gz SBTSXOUVEYANAC-ZDUSSCGKSA-N 1 2 324.432 2.876 20 30 DFEDLO CC(C)n1ncnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908320 399623359 /nfs/dbraw/zinc/62/33/59/399623359.db2.gz QJRJRERPFDAXQE-UHFFFAOYSA-N 1 2 310.405 2.505 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602925125 399629225 /nfs/dbraw/zinc/62/92/25/399629225.db2.gz ICLSWXFQCYQDPW-CZUORRHYSA-N 1 2 303.406 2.671 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602925125 399629229 /nfs/dbraw/zinc/62/92/29/399629229.db2.gz ICLSWXFQCYQDPW-CZUORRHYSA-N 1 2 303.406 2.671 20 30 DFEDLO COCc1ncc2c(n1)CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000602927459 399630288 /nfs/dbraw/zinc/63/02/88/399630288.db2.gz HQFPPKUOQCMNOC-ZDUSSCGKSA-N 1 2 308.385 2.614 20 30 DFEDLO COCc1ncc2c(n1)CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000602927459 399630293 /nfs/dbraw/zinc/63/02/93/399630293.db2.gz HQFPPKUOQCMNOC-ZDUSSCGKSA-N 1 2 308.385 2.614 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193786954 335055983 /nfs/dbraw/zinc/05/59/83/335055983.db2.gz NKYIIIRRHVHSQF-AWEZNQCLSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193786954 335055985 /nfs/dbraw/zinc/05/59/85/335055985.db2.gz NKYIIIRRHVHSQF-AWEZNQCLSA-N 1 2 313.850 2.824 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)C[C@H]2CO)c1C#N ZINC000602931174 399632082 /nfs/dbraw/zinc/63/20/82/399632082.db2.gz MFONNSPXOWWAPF-PBHICJAKSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)c1C#N ZINC000602931174 399632086 /nfs/dbraw/zinc/63/20/86/399632086.db2.gz MFONNSPXOWWAPF-PBHICJAKSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1ccc[nH+]c1CCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000294899323 224295899 /nfs/dbraw/zinc/29/58/99/224295899.db2.gz DQBOAIHRXQOWED-UHFFFAOYSA-N 1 2 311.345 2.797 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289818931 221247554 /nfs/dbraw/zinc/24/75/54/221247554.db2.gz NZAIIDIXXKXQPK-RYUDHWBXSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289818931 221247556 /nfs/dbraw/zinc/24/75/56/221247556.db2.gz NZAIIDIXXKXQPK-RYUDHWBXSA-N 1 2 307.344 2.862 20 30 DFEDLO C#CCC(CC#C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000289047377 335059522 /nfs/dbraw/zinc/05/95/22/335059522.db2.gz KGZPKJZTGOVEEX-INIZCTEOSA-N 1 2 324.424 2.681 20 30 DFEDLO Cc1sc(NC(=O)C[NH+]2CCC(C)(F)CC2)c(C#N)c1C ZINC000602992782 399652785 /nfs/dbraw/zinc/65/27/85/399652785.db2.gz FXYJPGZXKCZWJF-UHFFFAOYSA-N 1 2 309.410 2.999 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000612405977 399644555 /nfs/dbraw/zinc/64/45/55/399644555.db2.gz FVKFSUWTIRQAJN-SFHVURJKSA-N 1 2 324.384 2.931 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000612405977 399644557 /nfs/dbraw/zinc/64/45/57/399644557.db2.gz FVKFSUWTIRQAJN-SFHVURJKSA-N 1 2 324.384 2.931 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(OC)c1OC ZINC000612405987 399644956 /nfs/dbraw/zinc/64/49/56/399644956.db2.gz FYAPEBRSYZFTKC-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(OC)c1OC ZINC000612405987 399644958 /nfs/dbraw/zinc/64/49/58/399644958.db2.gz FYAPEBRSYZFTKC-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978608 399646777 /nfs/dbraw/zinc/64/67/77/399646777.db2.gz SZUJNUYVSQUYMG-JQHSSLGASA-N 1 2 313.445 2.666 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978608 399646783 /nfs/dbraw/zinc/64/67/83/399646783.db2.gz SZUJNUYVSQUYMG-JQHSSLGASA-N 1 2 313.445 2.666 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000602983213 399649379 /nfs/dbraw/zinc/64/93/79/399649379.db2.gz FKDHJPZUDZKPHL-UHFFFAOYSA-N 1 2 300.366 2.502 20 30 DFEDLO CCCCO[C@H](C)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328617872 257264740 /nfs/dbraw/zinc/26/47/40/257264740.db2.gz DDIOQAPDDJNFLG-NFAWXSAZSA-N 1 2 309.410 2.802 20 30 DFEDLO CCOC(=O)c1csc(C2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000617568246 399742099 /nfs/dbraw/zinc/74/20/99/399742099.db2.gz RTRAJRPGEREKBM-UHFFFAOYSA-N 1 2 319.430 2.803 20 30 DFEDLO C[C@@H](Nc1cc(C#N)c(Br)cn1)c1[nH+]ccn1C ZINC000603408919 399769365 /nfs/dbraw/zinc/76/93/65/399769365.db2.gz GYWSDLCWFDWUGP-MRVPVSSYSA-N 1 2 306.167 2.622 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626151388 399776588 /nfs/dbraw/zinc/77/65/88/399776588.db2.gz GVLXYVYWZVNDNL-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626151388 399776593 /nfs/dbraw/zinc/77/65/93/399776593.db2.gz GVLXYVYWZVNDNL-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000617779537 399797452 /nfs/dbraw/zinc/79/74/52/399797452.db2.gz CJCCQIMTGGHZRV-IXDOHACOSA-N 1 2 308.466 2.691 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000617779537 399797463 /nfs/dbraw/zinc/79/74/63/399797463.db2.gz CJCCQIMTGGHZRV-IXDOHACOSA-N 1 2 308.466 2.691 20 30 DFEDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000604273839 399834883 /nfs/dbraw/zinc/83/48/83/399834883.db2.gz MRFRCQMYDZNAFV-LBPRGKRZSA-N 1 2 319.405 2.596 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1cnc(C)s1)CCC2 ZINC000328664682 543096418 /nfs/dbraw/zinc/09/64/18/543096418.db2.gz YREWQXQAAKUNID-GFCCVEGCSA-N 1 2 319.434 2.538 20 30 DFEDLO O=C(Nc1ccc(N2CCCC2)cn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328719271 543096774 /nfs/dbraw/zinc/09/67/74/543096774.db2.gz QENMFENJTBWPLS-CYBMUJFWSA-N 1 2 311.389 2.729 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCC1CCC1)C2 ZINC000329274570 543101920 /nfs/dbraw/zinc/10/19/20/543101920.db2.gz KNJUHWMUPKLDIG-ZDUSSCGKSA-N 1 2 304.438 2.799 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]CC1CCC1)C2 ZINC000329274570 543101922 /nfs/dbraw/zinc/10/19/22/543101922.db2.gz KNJUHWMUPKLDIG-ZDUSSCGKSA-N 1 2 304.438 2.799 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1c1ccccc1 ZINC000604558462 399856298 /nfs/dbraw/zinc/85/62/98/399856298.db2.gz FIMYFEVLBLRTHW-ZFWWWQNUSA-N 1 2 304.357 2.708 20 30 DFEDLO Cc1ccc(OCCNc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559197 399856373 /nfs/dbraw/zinc/85/63/73/399856373.db2.gz FQNZKCAGJQARNY-UHFFFAOYSA-N 1 2 322.372 2.539 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2ccccc2C1 ZINC000604557982 399856453 /nfs/dbraw/zinc/85/64/53/399856453.db2.gz CSVRPQCTLCEGCQ-HNNXBMFYSA-N 1 2 318.384 2.709 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000174400663 145379341 /nfs/dbraw/zinc/37/93/41/145379341.db2.gz IGTDHZLUUAGTLO-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898183 399958942 /nfs/dbraw/zinc/95/89/42/399958942.db2.gz WWYUDDWZHGPPON-SFHVURJKSA-N 1 2 302.418 2.639 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898182 399959216 /nfs/dbraw/zinc/95/92/16/399959216.db2.gz WWYUDDWZHGPPON-GOSISDBHSA-N 1 2 302.418 2.639 20 30 DFEDLO CO[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@H]1C ZINC000251640021 146214553 /nfs/dbraw/zinc/21/45/53/146214553.db2.gz HCYZAVXDKLJRRI-YGRLFVJLSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@H]1C ZINC000251640021 146214554 /nfs/dbraw/zinc/21/45/54/146214554.db2.gz HCYZAVXDKLJRRI-YGRLFVJLSA-N 1 2 321.446 2.532 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491679415 543407494 /nfs/dbraw/zinc/40/74/94/543407494.db2.gz XJYYLTYSROUDMG-QGZVFWFLSA-N 1 2 322.412 2.716 20 30 DFEDLO Cc1ccncc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000361423419 149111021 /nfs/dbraw/zinc/11/10/21/149111021.db2.gz UJSRCHUCKPRDMM-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000361423419 149111023 /nfs/dbraw/zinc/11/10/23/149111023.db2.gz UJSRCHUCKPRDMM-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361501660 149133383 /nfs/dbraw/zinc/13/33/83/149133383.db2.gz SKRJYUZXIYXGJF-UHFFFAOYSA-N 1 2 310.401 2.530 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361501660 149133388 /nfs/dbraw/zinc/13/33/88/149133388.db2.gz SKRJYUZXIYXGJF-UHFFFAOYSA-N 1 2 310.401 2.530 20 30 DFEDLO CCC[N@H+](Cc1nnnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000361624676 149172460 /nfs/dbraw/zinc/17/24/60/149172460.db2.gz AJVHESNCMGBIAC-UHFFFAOYSA-N 1 2 312.421 2.712 20 30 DFEDLO CCC[N@@H+](Cc1nnnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000361624676 149172465 /nfs/dbraw/zinc/17/24/65/149172465.db2.gz AJVHESNCMGBIAC-UHFFFAOYSA-N 1 2 312.421 2.712 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000362590460 149316692 /nfs/dbraw/zinc/31/66/92/149316692.db2.gz JFPANSJVJSMAME-CYBMUJFWSA-N 1 2 312.417 2.546 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000362590460 149316694 /nfs/dbraw/zinc/31/66/94/149316694.db2.gz JFPANSJVJSMAME-CYBMUJFWSA-N 1 2 312.417 2.546 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000371454596 150048968 /nfs/dbraw/zinc/04/89/68/150048968.db2.gz APHIBQCFUGUMPS-BDJLRTHQSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000371454596 150048972 /nfs/dbraw/zinc/04/89/72/150048972.db2.gz APHIBQCFUGUMPS-BDJLRTHQSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000371454598 150049107 /nfs/dbraw/zinc/04/91/07/150049107.db2.gz APHIBQCFUGUMPS-MEDUHNTESA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000371454598 150049110 /nfs/dbraw/zinc/04/91/10/150049110.db2.gz APHIBQCFUGUMPS-MEDUHNTESA-N 1 2 304.296 2.737 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(C#N)cc1 ZINC000372963257 150207974 /nfs/dbraw/zinc/20/79/74/150207974.db2.gz WCVCAGAVFFWUEI-UHFFFAOYSA-N 1 2 309.373 2.755 20 30 DFEDLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000373027899 150218247 /nfs/dbraw/zinc/21/82/47/150218247.db2.gz XGNAPDHYAYIDOC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO COc1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)ccc1C#N ZINC000373027899 150218248 /nfs/dbraw/zinc/21/82/48/150218248.db2.gz XGNAPDHYAYIDOC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO COc1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)ccc1C#N ZINC000373027899 150218249 /nfs/dbraw/zinc/21/82/49/150218249.db2.gz XGNAPDHYAYIDOC-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374027291 150295507 /nfs/dbraw/zinc/29/55/07/150295507.db2.gz MTDVKZQCFRCJTB-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374027291 150295509 /nfs/dbraw/zinc/29/55/09/150295509.db2.gz MTDVKZQCFRCJTB-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374309432 150342239 /nfs/dbraw/zinc/34/22/39/150342239.db2.gz JDULCWAVHREOEC-CYBMUJFWSA-N 1 2 324.384 2.938 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374309432 150342242 /nfs/dbraw/zinc/34/22/42/150342242.db2.gz JDULCWAVHREOEC-CYBMUJFWSA-N 1 2 324.384 2.938 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOc4cccc(F)c4C3)n2c1 ZINC000375008796 150382574 /nfs/dbraw/zinc/38/25/74/150382574.db2.gz RMZSIHVDAWHEBT-UHFFFAOYSA-N 1 2 322.343 2.740 20 30 DFEDLO Cn1c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2[nH+]c1C1CC1 ZINC000182833314 158008423 /nfs/dbraw/zinc/00/84/23/158008423.db2.gz AIBVPHMNZDWPBN-UHFFFAOYSA-N 1 2 305.341 2.903 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)n1 ZINC000355128210 158279516 /nfs/dbraw/zinc/27/95/16/158279516.db2.gz RAGDVJYNYDKNIB-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000373553473 158752581 /nfs/dbraw/zinc/75/25/81/158752581.db2.gz BPSAPLPHDGQVSY-HNNXBMFYSA-N 1 2 320.396 2.719 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129132955 196021772 /nfs/dbraw/zinc/02/17/72/196021772.db2.gz KNXDLHWVJGXFJS-OAHLLOKOSA-N 1 2 322.474 2.936 20 30 DFEDLO Cc1nc([C@@](C)([NH2+]CCOc2cccc(C#N)c2)C2CC2)no1 ZINC000433292335 296904714 /nfs/dbraw/zinc/90/47/14/296904714.db2.gz ZOMRMBCJJWPDDJ-KRWDZBQOSA-N 1 2 312.373 2.544 20 30 DFEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675231439 544295745 /nfs/dbraw/zinc/29/57/45/544295745.db2.gz GUCDHEHKDNMLCW-AWEZNQCLSA-N 1 2 305.422 2.797 20 30 DFEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675231439 544295748 /nfs/dbraw/zinc/29/57/48/544295748.db2.gz GUCDHEHKDNMLCW-AWEZNQCLSA-N 1 2 305.422 2.797 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000677047475 544425968 /nfs/dbraw/zinc/42/59/68/544425968.db2.gz BTCJDCAIDXCKQU-CQSZACIVSA-N 1 2 304.821 2.900 20 30 DFEDLO COCC#CC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000677819023 544545629 /nfs/dbraw/zinc/54/56/29/544545629.db2.gz OHPLCBZEXRODNH-UHFFFAOYSA-N 1 2 309.413 2.745 20 30 DFEDLO N#Cc1ccnc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000298160556 228388742 /nfs/dbraw/zinc/38/87/42/228388742.db2.gz PQEYALLYWYRUKY-CQSZACIVSA-N 1 2 314.414 2.500 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000678049292 544589270 /nfs/dbraw/zinc/58/92/70/544589270.db2.gz GSAZUJVHVVFDHX-LSDHHAIUSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000678049292 544589274 /nfs/dbraw/zinc/58/92/74/544589274.db2.gz GSAZUJVHVVFDHX-LSDHHAIUSA-N 1 2 313.344 2.598 20 30 DFEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)nn1 ZINC000301995213 230025605 /nfs/dbraw/zinc/02/56/05/230025605.db2.gz OGDXGERWOMVPFF-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO CC(C)[C@H](CNC(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000057873404 425897121 /nfs/dbraw/zinc/89/71/21/425897121.db2.gz UPKGJGHYNCWHAR-SFHVURJKSA-N 1 2 313.445 2.778 20 30 DFEDLO CC[N@@H+](CC(=O)NCCc1c(C)cc(C)cc1C)C[C@@H](C)C#N ZINC000064249145 425901564 /nfs/dbraw/zinc/90/15/64/425901564.db2.gz CBJUGDHVVZIIOF-HNNXBMFYSA-N 1 2 315.461 2.752 20 30 DFEDLO CC[N@H+](CC(=O)NCCc1c(C)cc(C)cc1C)C[C@@H](C)C#N ZINC000064249145 425901565 /nfs/dbraw/zinc/90/15/65/425901565.db2.gz CBJUGDHVVZIIOF-HNNXBMFYSA-N 1 2 315.461 2.752 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559413 425905250 /nfs/dbraw/zinc/90/52/50/425905250.db2.gz LEADDMIMXLHVGU-MRXNPFEDSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559413 425905251 /nfs/dbraw/zinc/90/52/51/425905251.db2.gz LEADDMIMXLHVGU-MRXNPFEDSA-N 1 2 323.458 2.649 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066904811 425907445 /nfs/dbraw/zinc/90/74/45/425907445.db2.gz FEGBEUBTDWIWLB-MRXNPFEDSA-N 1 2 316.449 2.591 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000067320198 425909736 /nfs/dbraw/zinc/90/97/36/425909736.db2.gz PTZNDTKFSQXDTA-UHFFFAOYSA-N 1 2 300.362 2.660 20 30 DFEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CCCCC#N ZINC000124473861 425921513 /nfs/dbraw/zinc/92/15/13/425921513.db2.gz JKOGBVJNZMUOPY-CQSZACIVSA-N 1 2 314.307 2.944 20 30 DFEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CCCCC#N ZINC000124473861 425921515 /nfs/dbraw/zinc/92/15/15/425921515.db2.gz JKOGBVJNZMUOPY-CQSZACIVSA-N 1 2 314.307 2.944 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000530910696 269936274 /nfs/dbraw/zinc/93/62/74/269936274.db2.gz CMTBKUJPQOZDFO-OAHLLOKOSA-N 1 2 322.393 2.873 20 30 DFEDLO O[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000155734464 425925365 /nfs/dbraw/zinc/92/53/65/425925365.db2.gz HMZPBIDVVPVTKR-CYBMUJFWSA-N 1 2 303.711 2.691 20 30 DFEDLO O[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000155734464 425925368 /nfs/dbraw/zinc/92/53/68/425925368.db2.gz HMZPBIDVVPVTKR-CYBMUJFWSA-N 1 2 303.711 2.691 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1cccc(C#N)c1 ZINC000063299991 263969480 /nfs/dbraw/zinc/96/94/80/263969480.db2.gz OEMAJKFYDDDHMR-MRXNPFEDSA-N 1 2 324.428 2.554 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1cccc(C#N)c1 ZINC000063299991 263969481 /nfs/dbraw/zinc/96/94/81/263969481.db2.gz OEMAJKFYDDDHMR-MRXNPFEDSA-N 1 2 324.428 2.554 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000456013430 270001924 /nfs/dbraw/zinc/00/19/24/270001924.db2.gz WHPRLHIHFXJHAX-UHFFFAOYSA-N 1 2 323.400 2.764 20 30 DFEDLO COC[C@@](C)(C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000156244548 425933812 /nfs/dbraw/zinc/93/38/12/425933812.db2.gz QMVXQIJEGQJOIU-QGZVFWFLSA-N 1 2 311.341 2.532 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156638856 425934988 /nfs/dbraw/zinc/93/49/88/425934988.db2.gz KTHHQBYTNYQTSH-HNNXBMFYSA-N 1 2 300.793 2.657 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156638856 425934989 /nfs/dbraw/zinc/93/49/89/425934989.db2.gz KTHHQBYTNYQTSH-HNNXBMFYSA-N 1 2 300.793 2.657 20 30 DFEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nncn1C ZINC000352464006 265903496 /nfs/dbraw/zinc/90/34/96/265903496.db2.gz NNUGQYQMLXVHQR-AWEZNQCLSA-N 1 2 303.797 2.827 20 30 DFEDLO COc1cc2c(cc1C[NH2+]Cc1nc(C#N)cs1)O[C@@H](C)C2 ZINC000352843198 266848454 /nfs/dbraw/zinc/84/84/54/266848454.db2.gz YMGJQOPKMSVOQL-JTQLQIEISA-N 1 2 315.398 2.637 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227762 267031085 /nfs/dbraw/zinc/03/10/85/267031085.db2.gz SICPYMUUUDFMJQ-UKRRQHHQSA-N 1 2 314.433 2.783 20 30 DFEDLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000344160678 267078247 /nfs/dbraw/zinc/07/82/47/267078247.db2.gz FTPSQYGZPYSDSK-NEPJUHHUSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000344160678 267078249 /nfs/dbraw/zinc/07/82/49/267078249.db2.gz FTPSQYGZPYSDSK-NEPJUHHUSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348249977 267099944 /nfs/dbraw/zinc/09/99/44/267099944.db2.gz SNOVUVRNZVBCLQ-BLLLJJGKSA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348249977 267099949 /nfs/dbraw/zinc/09/99/49/267099949.db2.gz SNOVUVRNZVBCLQ-BLLLJJGKSA-N 1 2 306.793 2.591 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492442579 267163526 /nfs/dbraw/zinc/16/35/26/267163526.db2.gz BWXGAAWPUVVUHG-BQYQJAHWSA-N 1 2 310.357 2.825 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456975249 267183171 /nfs/dbraw/zinc/18/31/71/267183171.db2.gz YOMOVGJGNUQPKD-SJORKVTESA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456975249 267183173 /nfs/dbraw/zinc/18/31/73/267183173.db2.gz YOMOVGJGNUQPKD-SJORKVTESA-N 1 2 315.417 2.695 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277347 267252182 /nfs/dbraw/zinc/25/21/82/267252182.db2.gz KWVQDSXGAGKDMR-GXFFZTMASA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277347 267252187 /nfs/dbraw/zinc/25/21/87/267252187.db2.gz KWVQDSXGAGKDMR-GXFFZTMASA-N 1 2 311.307 2.769 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412392211 267257806 /nfs/dbraw/zinc/25/78/06/267257806.db2.gz BSXSREOTMPEERX-UHOFOFEASA-N 1 2 308.385 2.756 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000451391427 267259639 /nfs/dbraw/zinc/25/96/39/267259639.db2.gz GHNFZKVVHNBIBM-OAHLLOKOSA-N 1 2 311.389 2.779 20 30 DFEDLO C[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1cccc(C#N)c1 ZINC000450229712 267322043 /nfs/dbraw/zinc/32/20/43/267322043.db2.gz XOXHRMNZVGBFOA-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1cccc(C#N)c1 ZINC000450229712 267322047 /nfs/dbraw/zinc/32/20/47/267322047.db2.gz XOXHRMNZVGBFOA-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H](CO)c1ccc(Cl)cc1 ZINC000449457743 267323348 /nfs/dbraw/zinc/32/33/48/267323348.db2.gz VDMLGATVJXZRFG-CYBMUJFWSA-N 1 2 307.806 2.834 20 30 DFEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H](CO)c1ccc(Cl)cc1 ZINC000449457743 267323349 /nfs/dbraw/zinc/32/33/49/267323349.db2.gz VDMLGATVJXZRFG-CYBMUJFWSA-N 1 2 307.806 2.834 20 30 DFEDLO C[N@H+](Cc1nc(C#N)cs1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496665183 267323374 /nfs/dbraw/zinc/32/33/74/267323374.db2.gz WMZMGASWSWYOCV-UHFFFAOYSA-N 1 2 322.434 2.502 20 30 DFEDLO C[N@@H+](Cc1nc(C#N)cs1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496665183 267323377 /nfs/dbraw/zinc/32/33/77/267323377.db2.gz WMZMGASWSWYOCV-UHFFFAOYSA-N 1 2 322.434 2.502 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437409770 267362960 /nfs/dbraw/zinc/36/29/60/267362960.db2.gz RSROXGXKGZZCNQ-UHFFFAOYSA-N 1 2 312.316 2.543 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437409770 267362963 /nfs/dbraw/zinc/36/29/63/267362963.db2.gz RSROXGXKGZZCNQ-UHFFFAOYSA-N 1 2 312.316 2.543 20 30 DFEDLO COc1ccccc1N1CC[C@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000425217148 267659740 /nfs/dbraw/zinc/65/97/40/267659740.db2.gz AWDFDDQFRCIWTA-OAHLLOKOSA-N 1 2 322.412 2.631 20 30 DFEDLO C[N@H+](CCOc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000007685989 425648267 /nfs/dbraw/zinc/64/82/67/425648267.db2.gz LNIFGLQXIOFRDG-UHFFFAOYSA-N 1 2 315.398 2.569 20 30 DFEDLO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000007685989 425648271 /nfs/dbraw/zinc/64/82/71/425648271.db2.gz LNIFGLQXIOFRDG-UHFFFAOYSA-N 1 2 315.398 2.569 20 30 DFEDLO Cn1c2ccc(NC(=O)c3cnccc3C#N)cc2[nH+]c1C1CC1 ZINC000343009460 267772020 /nfs/dbraw/zinc/77/20/20/267772020.db2.gz JDBFNAVFHKHWBV-UHFFFAOYSA-N 1 2 317.352 2.970 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000347732428 267825251 /nfs/dbraw/zinc/82/52/51/267825251.db2.gz ZOOUTWUYGYOYLO-INIZCTEOSA-N 1 2 310.332 2.903 20 30 DFEDLO N#Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045956180 425863524 /nfs/dbraw/zinc/86/35/24/425863524.db2.gz JDNBPODSZARNCA-UHFFFAOYSA-N 1 2 321.384 2.744 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3ccc(C#N)cc3C)[nH+]c2c1 ZINC000439126549 268062562 /nfs/dbraw/zinc/06/25/62/268062562.db2.gz BRWCJORJDHLFFQ-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)nnc3ccccc31)CCC2 ZINC000443885815 268069346 /nfs/dbraw/zinc/06/93/46/268069346.db2.gz BEULVKPCXHJYGG-ZDUSSCGKSA-N 1 2 318.384 2.996 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2n1C ZINC000530914196 268078759 /nfs/dbraw/zinc/07/87/59/268078759.db2.gz WQBANCYOFRJHGM-UHFFFAOYSA-N 1 2 304.353 2.935 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000047417646 425869515 /nfs/dbraw/zinc/86/95/15/425869515.db2.gz NYXUXHNFGRCABK-UHFFFAOYSA-N 1 2 320.396 2.874 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)c(F)c1 ZINC000346927792 268119066 /nfs/dbraw/zinc/11/90/66/268119066.db2.gz VTYSLFASJBRSQD-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000428217541 268163479 /nfs/dbraw/zinc/16/34/79/268163479.db2.gz JUADBAKGTGFWNU-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000428217541 268163480 /nfs/dbraw/zinc/16/34/80/268163480.db2.gz JUADBAKGTGFWNU-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000428218103 268163535 /nfs/dbraw/zinc/16/35/35/268163535.db2.gz LOGAYBOGJUVHEZ-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000428218103 268163537 /nfs/dbraw/zinc/16/35/37/268163537.db2.gz LOGAYBOGJUVHEZ-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(SCC(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000343266692 268211099 /nfs/dbraw/zinc/21/10/99/268211099.db2.gz LQWYRWXNRDLASO-UHFFFAOYSA-N 1 2 322.393 2.614 20 30 DFEDLO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000514989436 268219297 /nfs/dbraw/zinc/21/92/97/268219297.db2.gz MMJUUFGJUVWTRU-QGZVFWFLSA-N 1 2 307.401 2.892 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1F ZINC000352856307 268247551 /nfs/dbraw/zinc/24/75/51/268247551.db2.gz FRFNRDKKBAKOOQ-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411930783 268291037 /nfs/dbraw/zinc/29/10/37/268291037.db2.gz ZRNIWEGZXQBHMQ-MAUKXSAKSA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411930783 268291039 /nfs/dbraw/zinc/29/10/39/268291039.db2.gz ZRNIWEGZXQBHMQ-MAUKXSAKSA-N 1 2 323.352 2.774 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000157264750 425938275 /nfs/dbraw/zinc/93/82/75/425938275.db2.gz ALTRENHEOWDQLD-UHFFFAOYSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000157264750 425938277 /nfs/dbraw/zinc/93/82/77/425938277.db2.gz ALTRENHEOWDQLD-UHFFFAOYSA-N 1 2 305.805 2.573 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCC1 ZINC000070808535 425976104 /nfs/dbraw/zinc/97/61/04/425976104.db2.gz UTQBVNCQPNKFNV-RMKNXTFCSA-N 1 2 323.440 2.928 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000161988992 426048399 /nfs/dbraw/zinc/04/83/99/426048399.db2.gz KIMPAOXLZJOAKD-CQSZACIVSA-N 1 2 308.809 2.745 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000161988992 426048400 /nfs/dbraw/zinc/04/84/00/426048400.db2.gz KIMPAOXLZJOAKD-CQSZACIVSA-N 1 2 308.809 2.745 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126275399 426013538 /nfs/dbraw/zinc/01/35/38/426013538.db2.gz YNGMNUPVVSVXHU-SFHVURJKSA-N 1 2 314.429 2.569 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126275399 426013539 /nfs/dbraw/zinc/01/35/39/426013539.db2.gz YNGMNUPVVSVXHU-SFHVURJKSA-N 1 2 314.429 2.569 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c(C#N)c1C ZINC000127840351 426088461 /nfs/dbraw/zinc/08/84/61/426088461.db2.gz BOXNPTJSLPSELB-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c(C#N)c1C ZINC000127840351 426088464 /nfs/dbraw/zinc/08/84/64/426088464.db2.gz BOXNPTJSLPSELB-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000128002159 426096729 /nfs/dbraw/zinc/09/67/29/426096729.db2.gz RUFWWKBWOUURNN-HNNXBMFYSA-N 1 2 314.433 2.759 20 30 DFEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000128002159 426096731 /nfs/dbraw/zinc/09/67/31/426096731.db2.gz RUFWWKBWOUURNN-HNNXBMFYSA-N 1 2 314.433 2.759 20 30 DFEDLO C#CCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000113332001 426112673 /nfs/dbraw/zinc/11/26/73/426112673.db2.gz WQUGKZYBXWSMNA-UHFFFAOYSA-N 1 2 311.385 2.949 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)(F)F ZINC000128354457 426113517 /nfs/dbraw/zinc/11/35/17/426113517.db2.gz DYCSENDBBSYWPQ-NSHDSACASA-N 1 2 315.314 2.766 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)(F)F ZINC000128354457 426113519 /nfs/dbraw/zinc/11/35/19/426113519.db2.gz DYCSENDBBSYWPQ-NSHDSACASA-N 1 2 315.314 2.766 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128624817 426125580 /nfs/dbraw/zinc/12/55/80/426125580.db2.gz MWRWLSOTMIRPIG-GJZGRUSLSA-N 1 2 322.474 2.935 20 30 DFEDLO C#C[C@H](C)[NH2+]Cc1ncc(Br)cc1Br ZINC000166390715 426127689 /nfs/dbraw/zinc/12/76/89/426127689.db2.gz HMIFDVZEHUOVRI-ZETCQYMHSA-N 1 2 318.012 2.718 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(C#N)c1C)CCC2 ZINC000338119098 268624123 /nfs/dbraw/zinc/62/41/23/268624123.db2.gz JTWLJJIDRLPNES-OAHLLOKOSA-N 1 2 308.385 2.679 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c(C#N)c1C ZINC000127611032 426076614 /nfs/dbraw/zinc/07/66/14/426076614.db2.gz FRIHIDNCKFCXOX-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c(C#N)c1C ZINC000127611032 426076616 /nfs/dbraw/zinc/07/66/16/426076616.db2.gz FRIHIDNCKFCXOX-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000075679706 426081433 /nfs/dbraw/zinc/08/14/33/426081433.db2.gz SZVGIGFAORNEHO-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000127773542 426084928 /nfs/dbraw/zinc/08/49/28/426084928.db2.gz JLKVPZHUYJOYHO-OAHLLOKOSA-N 1 2 314.433 2.759 20 30 DFEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000127773542 426084930 /nfs/dbraw/zinc/08/49/30/426084930.db2.gz JLKVPZHUYJOYHO-OAHLLOKOSA-N 1 2 314.433 2.759 20 30 DFEDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000112643665 426085610 /nfs/dbraw/zinc/08/56/10/426085610.db2.gz VQGBVSVAACEASM-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000112643665 426085613 /nfs/dbraw/zinc/08/56/13/426085613.db2.gz VQGBVSVAACEASM-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C=CCOCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000079748800 426201886 /nfs/dbraw/zinc/20/18/86/426201886.db2.gz JMMSRGSQBZZUNF-UHFFFAOYSA-N 1 2 317.364 2.610 20 30 DFEDLO C=CC[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000117002282 426203781 /nfs/dbraw/zinc/20/37/81/426203781.db2.gz RZDAEHDSGLGONZ-CQSZACIVSA-N 1 2 303.406 2.605 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338327908 268658748 /nfs/dbraw/zinc/65/87/48/268658748.db2.gz OSTBMERPCJLBFA-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000338327908 268658750 /nfs/dbraw/zinc/65/87/50/268658750.db2.gz OSTBMERPCJLBFA-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000115535741 426166703 /nfs/dbraw/zinc/16/67/03/426166703.db2.gz XBHCKLQOJANXSD-CVEARBPZSA-N 1 2 311.410 2.983 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000115535741 426166704 /nfs/dbraw/zinc/16/67/04/426166704.db2.gz XBHCKLQOJANXSD-CVEARBPZSA-N 1 2 311.410 2.983 20 30 DFEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC#N)CC1 ZINC000132092085 426168322 /nfs/dbraw/zinc/16/83/22/426168322.db2.gz ODWCBXBBDVLCDX-UHFFFAOYSA-N 1 2 305.447 2.978 20 30 DFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000115595356 426169056 /nfs/dbraw/zinc/16/90/56/426169056.db2.gz LFOFNOGDSAGXEW-HWPZZCPQSA-N 1 2 315.323 2.714 20 30 DFEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc(C)cs1 ZINC000115599619 426170162 /nfs/dbraw/zinc/17/01/62/426170162.db2.gz RFBSDAFKZURPPE-UONOGXRCSA-N 1 2 314.414 2.591 20 30 DFEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000078731422 426183293 /nfs/dbraw/zinc/18/32/93/426183293.db2.gz VJIHSLCHYUXRCV-LBPRGKRZSA-N 1 2 323.824 2.541 20 30 DFEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000078731422 426183296 /nfs/dbraw/zinc/18/32/96/426183296.db2.gz VJIHSLCHYUXRCV-LBPRGKRZSA-N 1 2 323.824 2.541 20 30 DFEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000171373586 426186957 /nfs/dbraw/zinc/18/69/57/426186957.db2.gz PHWGMKHRUNNGGP-INIZCTEOSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1COc2ccccc2O1 ZINC000171373586 426186959 /nfs/dbraw/zinc/18/69/59/426186959.db2.gz PHWGMKHRUNNGGP-INIZCTEOSA-N 1 2 312.344 2.969 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134560864 426187531 /nfs/dbraw/zinc/18/75/31/426187531.db2.gz WLODDXDIFWHOFV-HOTGVXAUSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](SC)C1 ZINC000134560864 426187534 /nfs/dbraw/zinc/18/75/34/426187534.db2.gz WLODDXDIFWHOFV-HOTGVXAUSA-N 1 2 318.442 2.990 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000134923570 426198977 /nfs/dbraw/zinc/19/89/77/426198977.db2.gz HHLAPLMGDBWCKF-HKUYNNGSSA-N 1 2 316.445 2.778 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCCCC(C)(C)C#N)cc1OC ZINC000135487556 426220779 /nfs/dbraw/zinc/22/07/79/426220779.db2.gz KHVIAHDILWVVMU-UHFFFAOYSA-N 1 2 305.378 2.671 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)on1 ZINC000118391768 426234019 /nfs/dbraw/zinc/23/40/19/426234019.db2.gz FLIKBIIQERGSFV-HNNXBMFYSA-N 1 2 310.401 2.734 20 30 DFEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(C#N)c1 ZINC000118989839 426254523 /nfs/dbraw/zinc/25/45/23/426254523.db2.gz GAGSNJXVXVGAAG-UHFFFAOYSA-N 1 2 320.458 2.760 20 30 DFEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(C#N)c1 ZINC000118989839 426254525 /nfs/dbraw/zinc/25/45/25/426254525.db2.gz GAGSNJXVXVGAAG-UHFFFAOYSA-N 1 2 320.458 2.760 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000175223807 426289406 /nfs/dbraw/zinc/28/94/06/426289406.db2.gz DZWZRBNSGIDOBZ-QGZVFWFLSA-N 1 2 302.418 2.532 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000120263124 426308271 /nfs/dbraw/zinc/30/82/71/426308271.db2.gz QIWJCJQMNFXLFG-MRXNPFEDSA-N 1 2 308.385 2.968 20 30 DFEDLO Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089869132 426314469 /nfs/dbraw/zinc/31/44/69/426314469.db2.gz IDUPHTAOHREYFU-UHFFFAOYSA-N 1 2 319.368 2.913 20 30 DFEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000152518513 426345899 /nfs/dbraw/zinc/34/58/99/426345899.db2.gz YXVQGKCMKSPCJT-OAHLLOKOSA-N 1 2 305.374 2.585 20 30 DFEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000152518513 426345901 /nfs/dbraw/zinc/34/59/01/426345901.db2.gz YXVQGKCMKSPCJT-OAHLLOKOSA-N 1 2 305.374 2.585 20 30 DFEDLO N#CCN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000092936361 426353232 /nfs/dbraw/zinc/35/32/32/426353232.db2.gz FSMVEKFXAFXSFS-UHFFFAOYSA-N 1 2 304.444 2.513 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)C(C)(C)C(=O)OCC)cc(OC)c1O ZINC000093359473 426354593 /nfs/dbraw/zinc/35/45/93/426354593.db2.gz YWMLCGAVXKNYSH-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO C=CCc1cc(C[N@H+](C)C(C)(C)C(=O)OCC)cc(OC)c1O ZINC000093359473 426354595 /nfs/dbraw/zinc/35/45/95/426354595.db2.gz YWMLCGAVXKNYSH-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000122275888 426366515 /nfs/dbraw/zinc/36/65/15/426366515.db2.gz WYZQDGRMJUZTNC-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO COc1cc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)ccc1C ZINC000153922942 426413460 /nfs/dbraw/zinc/41/34/60/426413460.db2.gz QWYKNRGEEHKCGM-UHFFFAOYSA-N 1 2 312.373 2.789 20 30 DFEDLO CN(CCOCc1ccc(C#N)cc1)c1cc[nH+]c(C2CC2)n1 ZINC000341062350 269037188 /nfs/dbraw/zinc/03/71/88/269037188.db2.gz IXTSZOUWJCBMSY-UHFFFAOYSA-N 1 2 308.385 2.879 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000101564158 426484762 /nfs/dbraw/zinc/48/47/62/426484762.db2.gz AEYRNTCJJBSKNW-HNNXBMFYSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000101564158 426484763 /nfs/dbraw/zinc/48/47/63/426484763.db2.gz AEYRNTCJJBSKNW-HNNXBMFYSA-N 1 2 303.381 2.578 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554612 426484828 /nfs/dbraw/zinc/48/48/28/426484828.db2.gz MKBVHXFFQSIHOM-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)cc2C)CC[S@@]1=O ZINC000186334278 426507085 /nfs/dbraw/zinc/50/70/85/426507085.db2.gz DMZOKKTTWRHKJK-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2C)CC[S@@]1=O ZINC000186334278 426507093 /nfs/dbraw/zinc/50/70/93/426507093.db2.gz DMZOKKTTWRHKJK-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO C[C@H](c1cccc(NC(=O)C(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000264229191 426520460 /nfs/dbraw/zinc/52/04/60/426520460.db2.gz LXQPMVBYXAYJHI-CYBMUJFWSA-N 1 2 301.390 2.568 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000177545630 426494308 /nfs/dbraw/zinc/49/43/08/426494308.db2.gz BHKGGYBWRCMIJO-AAEUAGOBSA-N 1 2 300.387 2.540 20 30 DFEDLO CCC[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccc(C#N)cc1 ZINC000195080550 426500419 /nfs/dbraw/zinc/50/04/19/426500419.db2.gz AQHSYQLJYXCXGC-UHFFFAOYSA-N 1 2 309.417 2.976 20 30 DFEDLO CCC[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccc(C#N)cc1 ZINC000195080550 426500421 /nfs/dbraw/zinc/50/04/21/426500421.db2.gz AQHSYQLJYXCXGC-UHFFFAOYSA-N 1 2 309.417 2.976 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000186291156 426500508 /nfs/dbraw/zinc/50/05/08/426500508.db2.gz JEDYGNGTVYVWNH-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO CC#CCNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280107671 426502925 /nfs/dbraw/zinc/50/29/25/426502925.db2.gz BTMQYYMRGYJYPK-UHFFFAOYSA-N 1 2 310.401 2.715 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000264502842 426565228 /nfs/dbraw/zinc/56/52/28/426565228.db2.gz VWTGEGYGMWAANY-ZDUSSCGKSA-N 1 2 304.390 2.641 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000265467078 426643214 /nfs/dbraw/zinc/64/32/14/426643214.db2.gz XNUKGTNLYHEESO-WFASDCNBSA-N 1 2 316.380 2.912 20 30 DFEDLO C=C(Cl)C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280729926 426644881 /nfs/dbraw/zinc/64/48/81/426644881.db2.gz GRMQDLGMPBQOAI-TZMCWYRMSA-N 1 2 301.839 2.811 20 30 DFEDLO C=CC[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000178531987 426651437 /nfs/dbraw/zinc/65/14/37/426651437.db2.gz ZUKYRHXNKGCYFG-CQSZACIVSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000178531987 426651440 /nfs/dbraw/zinc/65/14/40/426651440.db2.gz ZUKYRHXNKGCYFG-CQSZACIVSA-N 1 2 305.399 2.608 20 30 DFEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(N)=O)C1 ZINC000187428996 426661877 /nfs/dbraw/zinc/66/18/77/426661877.db2.gz FBRPHMWJFKYFFF-WFASDCNBSA-N 1 2 324.346 2.643 20 30 DFEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(N)=O)C1 ZINC000187428996 426661881 /nfs/dbraw/zinc/66/18/81/426661881.db2.gz FBRPHMWJFKYFFF-WFASDCNBSA-N 1 2 324.346 2.643 20 30 DFEDLO CCN1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480241 269656365 /nfs/dbraw/zinc/65/63/65/269656365.db2.gz JOZDIGWBXJFQDC-HNNXBMFYSA-N 1 2 315.808 2.818 20 30 DFEDLO Cc1cc(NCCCNC(=O)OC(C)(C)C)c(C#N)c(C)[nH+]1 ZINC000227593584 426629198 /nfs/dbraw/zinc/62/91/98/426629198.db2.gz BMWBFYQQWGQELM-UHFFFAOYSA-N 1 2 304.394 2.897 20 30 DFEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC000281183257 426705255 /nfs/dbraw/zinc/70/52/55/426705255.db2.gz YYYAUBDWYALULW-ZBFHGGJFSA-N 1 2 319.474 2.794 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2ccccc2C#N)c(C(F)(F)F)n1 ZINC000178885949 426713449 /nfs/dbraw/zinc/71/34/49/426713449.db2.gz ALUVGILYQWGVIK-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2ccccc2C#N)c(C(F)(F)F)n1 ZINC000178885949 426713451 /nfs/dbraw/zinc/71/34/51/426713451.db2.gz ALUVGILYQWGVIK-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3cccs3)on2)C1=O ZINC000281523661 426721704 /nfs/dbraw/zinc/72/17/04/426721704.db2.gz ZONBTFJBEVXTTA-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)C1=O ZINC000281523661 426721708 /nfs/dbraw/zinc/72/17/08/426721708.db2.gz ZONBTFJBEVXTTA-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273587164 426692047 /nfs/dbraw/zinc/69/20/47/426692047.db2.gz OCSHALPXAPUBKT-GFCCVEGCSA-N 1 2 305.378 2.601 20 30 DFEDLO COc1cc(CC/[NH+]=C/c2c(O)c(C)ncc2CO)ccc1C ZINC000265861638 426701052 /nfs/dbraw/zinc/70/10/52/426701052.db2.gz MMURHARRHMGMLJ-VXLYETTFSA-N 1 2 314.385 2.567 20 30 DFEDLO C=CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000274494235 426780191 /nfs/dbraw/zinc/78/01/91/426780191.db2.gz RZNUIBPJTMGYKZ-UHFFFAOYSA-N 1 2 314.345 2.867 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)C1CC1 ZINC000274197809 426722677 /nfs/dbraw/zinc/72/26/77/426722677.db2.gz RCTDOIJPEYHGPO-UHFFFAOYSA-N 1 2 312.335 2.948 20 30 DFEDLO C#CC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)C1CC1 ZINC000274197809 426722682 /nfs/dbraw/zinc/72/26/82/426722682.db2.gz RCTDOIJPEYHGPO-UHFFFAOYSA-N 1 2 312.335 2.948 20 30 DFEDLO C=CCC[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000188194635 426730228 /nfs/dbraw/zinc/73/02/28/426730228.db2.gz LDMWGQIVJNDRQI-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO Cc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000245500597 426744332 /nfs/dbraw/zinc/74/43/32/426744332.db2.gz ATGGZACQZPUEFE-IBGZPJMESA-N 1 2 321.424 2.911 20 30 DFEDLO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000245500597 426744335 /nfs/dbraw/zinc/74/43/35/426744335.db2.gz ATGGZACQZPUEFE-IBGZPJMESA-N 1 2 321.424 2.911 20 30 DFEDLO C=CCCCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000274657109 426810716 /nfs/dbraw/zinc/81/07/16/426810716.db2.gz OJZPKFYXBJLJIO-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000246064071 426795443 /nfs/dbraw/zinc/79/54/43/426795443.db2.gz WRMYGDJWHDQCRO-IRXDYDNUSA-N 1 2 313.401 2.805 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000246064071 426795446 /nfs/dbraw/zinc/79/54/46/426795446.db2.gz WRMYGDJWHDQCRO-IRXDYDNUSA-N 1 2 313.401 2.805 20 30 DFEDLO C=C(Cl)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282235163 426859543 /nfs/dbraw/zinc/85/95/43/426859543.db2.gz SDTNAVTZFPYXFU-CYBMUJFWSA-N 1 2 322.840 2.861 20 30 DFEDLO C=CCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246813547 426867188 /nfs/dbraw/zinc/86/71/88/426867188.db2.gz KHZCEAWUEHRFOA-UONOGXRCSA-N 1 2 308.447 2.592 20 30 DFEDLO C=CCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246813547 426867193 /nfs/dbraw/zinc/86/71/93/426867193.db2.gz KHZCEAWUEHRFOA-UONOGXRCSA-N 1 2 308.447 2.592 20 30 DFEDLO O[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267337962 426874860 /nfs/dbraw/zinc/87/48/60/426874860.db2.gz BNVOYFGZFACTHI-CYBMUJFWSA-N 1 2 303.711 2.691 20 30 DFEDLO O[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267337962 426874865 /nfs/dbraw/zinc/87/48/65/426874865.db2.gz BNVOYFGZFACTHI-CYBMUJFWSA-N 1 2 303.711 2.691 20 30 DFEDLO N#Cc1cnc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000295525513 426994069 /nfs/dbraw/zinc/99/40/69/426994069.db2.gz MVBIEPUWKFHHOY-UHFFFAOYSA-N 1 2 312.333 2.561 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1 ZINC000248045367 426973573 /nfs/dbraw/zinc/97/35/73/426973573.db2.gz PKJGWKOVEATUPC-UHFFFAOYSA-N 1 2 312.417 2.664 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccccc1 ZINC000248045367 426973580 /nfs/dbraw/zinc/97/35/80/426973580.db2.gz PKJGWKOVEATUPC-UHFFFAOYSA-N 1 2 312.417 2.664 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccn1 ZINC000181807055 426984124 /nfs/dbraw/zinc/98/41/24/426984124.db2.gz LSZQDLXPTBZXQF-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc3ccsc32)C1 ZINC000328694929 426988696 /nfs/dbraw/zinc/98/86/96/426988696.db2.gz CZHZQQUZNWYCEG-LBPRGKRZSA-N 1 2 305.403 2.558 20 30 DFEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc3ccsc32)C1 ZINC000328694929 426988705 /nfs/dbraw/zinc/98/87/05/426988705.db2.gz CZHZQQUZNWYCEG-LBPRGKRZSA-N 1 2 305.403 2.558 20 30 DFEDLO CC(C)(C(=O)NC[C@@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000328673364 426989270 /nfs/dbraw/zinc/98/92/70/426989270.db2.gz IZGUVPZINPTPBJ-HNNXBMFYSA-N 1 2 324.465 2.936 20 30 DFEDLO CCc1nnc(NCc2cn3ccccc3[nH+]2)c(C#N)c1CC ZINC000268185446 426942651 /nfs/dbraw/zinc/94/26/51/426942651.db2.gz UWNOQDVOSQMCKM-UHFFFAOYSA-N 1 2 306.373 2.733 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000268355786 426995445 /nfs/dbraw/zinc/99/54/45/426995445.db2.gz RUYJEWNYQVGVRE-SJLPKXTDSA-N 1 2 322.412 2.527 20 30 DFEDLO O=C(CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CCCC1 ZINC000328787557 426999246 /nfs/dbraw/zinc/99/92/46/426999246.db2.gz OYSUQPZSOLXPHQ-ZDUSSCGKSA-N 1 2 318.421 2.795 20 30 DFEDLO C[C@]1(F)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584858 427010882 /nfs/dbraw/zinc/01/08/82/427010882.db2.gz ZTVULOFWNBPEFD-AEFFLSMTSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@]1(F)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584858 427010887 /nfs/dbraw/zinc/01/08/87/427010887.db2.gz ZTVULOFWNBPEFD-AEFFLSMTSA-N 1 2 315.392 2.878 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc([C@H]2CCCO2)n1 ZINC000328933541 427012861 /nfs/dbraw/zinc/01/28/61/427012861.db2.gz IQLZPYBYABHVKN-NOZJJQNGSA-N 1 2 318.402 2.580 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc([C@H]2CCCO2)n1 ZINC000328933541 427012869 /nfs/dbraw/zinc/01/28/69/427012869.db2.gz IQLZPYBYABHVKN-NOZJJQNGSA-N 1 2 318.402 2.580 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000328935786 427015910 /nfs/dbraw/zinc/01/59/10/427015910.db2.gz FQYPCVNHUVQUNK-CWRNSKLLSA-N 1 2 302.422 2.512 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000328935786 427015916 /nfs/dbraw/zinc/01/59/16/427015916.db2.gz FQYPCVNHUVQUNK-CWRNSKLLSA-N 1 2 302.422 2.512 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329070451 427036437 /nfs/dbraw/zinc/03/64/37/427036437.db2.gz YNMANKXSJGJGCZ-SNVBAGLBSA-N 1 2 321.768 2.504 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000329070451 427036444 /nfs/dbraw/zinc/03/64/44/427036444.db2.gz YNMANKXSJGJGCZ-SNVBAGLBSA-N 1 2 321.768 2.504 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](C)[C@H](C)C1)CCC2 ZINC000329075696 427040292 /nfs/dbraw/zinc/04/02/92/427040292.db2.gz BXCVCEHFXUGOKQ-GUTXKFCHSA-N 1 2 304.438 2.961 20 30 DFEDLO Cc1nsc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N ZINC000283627424 427046325 /nfs/dbraw/zinc/04/63/25/427046325.db2.gz TVJCJLPRISZYPN-GHMZBOCLSA-N 1 2 308.451 2.623 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCCNC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000329229310 427070478 /nfs/dbraw/zinc/07/04/78/427070478.db2.gz JFSAICYMOFMKMX-DOMZBBRYSA-N 1 2 301.390 2.509 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCCNC1=O)[N@H+]1CCc2ccccc2C1 ZINC000329229310 427070483 /nfs/dbraw/zinc/07/04/83/427070483.db2.gz JFSAICYMOFMKMX-DOMZBBRYSA-N 1 2 301.390 2.509 20 30 DFEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000268726722 427104183 /nfs/dbraw/zinc/10/41/83/427104183.db2.gz WSAZETUUVNXOKE-SJORKVTESA-N 1 2 314.410 2.727 20 30 DFEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000268726722 427104189 /nfs/dbraw/zinc/10/41/89/427104189.db2.gz WSAZETUUVNXOKE-SJORKVTESA-N 1 2 314.410 2.727 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329462187 427119445 /nfs/dbraw/zinc/11/94/45/427119445.db2.gz QANHYMBLQUTENN-NSHDSACASA-N 1 2 314.345 2.564 20 30 DFEDLO Cc1csc([C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000329472034 427122110 /nfs/dbraw/zinc/12/21/10/427122110.db2.gz ZIZAHFZOGRVPPP-ZYHUDNBSSA-N 1 2 304.419 2.971 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)[nH]1 ZINC000329481347 427124195 /nfs/dbraw/zinc/12/41/95/427124195.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)[nH]1 ZINC000329481347 427124200 /nfs/dbraw/zinc/12/42/00/427124200.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)n1 ZINC000329481347 427124207 /nfs/dbraw/zinc/12/42/07/427124207.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)n1 ZINC000329481347 427124212 /nfs/dbraw/zinc/12/42/12/427124212.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329481347 427124216 /nfs/dbraw/zinc/12/42/16/427124216.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329481347 427124220 /nfs/dbraw/zinc/12/42/20/427124220.db2.gz RDZDNRXEMBXURH-GXTWGEPZSA-N 1 2 319.453 2.970 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)C3(C4CC4)CCOCC3)sc2C1 ZINC000329598119 427148876 /nfs/dbraw/zinc/14/88/76/427148876.db2.gz CYPDSNZRHHUKAJ-UHFFFAOYSA-N 1 2 321.446 2.926 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)C3(C4CC4)CCOCC3)sc2C1 ZINC000329598119 427148886 /nfs/dbraw/zinc/14/88/86/427148886.db2.gz CYPDSNZRHHUKAJ-UHFFFAOYSA-N 1 2 321.446 2.926 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000190662706 271216528 /nfs/dbraw/zinc/21/65/28/271216528.db2.gz HMMGVBODQRCMRF-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000190662706 271216531 /nfs/dbraw/zinc/21/65/31/271216531.db2.gz HMMGVBODQRCMRF-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cn1 ZINC000191202112 427284853 /nfs/dbraw/zinc/28/48/53/427284853.db2.gz CDVYOODUARTUHQ-INIZCTEOSA-N 1 2 316.405 2.721 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)c(F)c2)cn1 ZINC000191202112 427284863 /nfs/dbraw/zinc/28/48/63/427284863.db2.gz CDVYOODUARTUHQ-INIZCTEOSA-N 1 2 316.405 2.721 20 30 DFEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000293270560 427266844 /nfs/dbraw/zinc/26/68/44/427266844.db2.gz BZXVDEYVBRVFKA-LBPRGKRZSA-N 1 2 312.373 2.568 20 30 DFEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000293270560 427266851 /nfs/dbraw/zinc/26/68/51/427266851.db2.gz BZXVDEYVBRVFKA-LBPRGKRZSA-N 1 2 312.373 2.568 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000285651479 427299854 /nfs/dbraw/zinc/29/98/54/427299854.db2.gz MIMHBVXWZNMJJZ-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000285651479 427299861 /nfs/dbraw/zinc/29/98/61/427299861.db2.gz MIMHBVXWZNMJJZ-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000330956524 427322194 /nfs/dbraw/zinc/32/21/94/427322194.db2.gz CAGAHFKSHXBQSL-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000330956524 427322203 /nfs/dbraw/zinc/32/22/03/427322203.db2.gz CAGAHFKSHXBQSL-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO C[C@H]1[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1(C)C ZINC000331061563 427335591 /nfs/dbraw/zinc/33/55/91/427335591.db2.gz ULJMNQPQOICOSY-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H]1[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1(C)C ZINC000331061563 427335592 /nfs/dbraw/zinc/33/55/92/427335592.db2.gz ULJMNQPQOICOSY-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccsc2)O1 ZINC000191418879 427346932 /nfs/dbraw/zinc/34/69/32/427346932.db2.gz CHTHITVNISATJT-BLLLJJGKSA-N 1 2 301.415 2.920 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccsc2)O1 ZINC000191418879 427346936 /nfs/dbraw/zinc/34/69/36/427346936.db2.gz CHTHITVNISATJT-BLLLJJGKSA-N 1 2 301.415 2.920 20 30 DFEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000271019733 427376912 /nfs/dbraw/zinc/37/69/12/427376912.db2.gz AGBSQIQFSKBCEQ-RHSMWYFYSA-N 1 2 322.412 2.992 20 30 DFEDLO N#Cc1csc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278106076 427409087 /nfs/dbraw/zinc/40/90/87/427409087.db2.gz POKADIPILUGAGQ-NWDGAFQWSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1csc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278106076 427409092 /nfs/dbraw/zinc/40/90/92/427409092.db2.gz POKADIPILUGAGQ-NWDGAFQWSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CC3CCCC3)CCO2)c1 ZINC000331467027 427417798 /nfs/dbraw/zinc/41/77/98/427417798.db2.gz VLKVGMVXACZFJK-OALUTQOASA-N 1 2 314.429 2.873 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CC3CCCC3)CCO2)c1 ZINC000331467027 427417808 /nfs/dbraw/zinc/41/78/08/427417808.db2.gz VLKVGMVXACZFJK-OALUTQOASA-N 1 2 314.429 2.873 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331131536 427354589 /nfs/dbraw/zinc/35/45/89/427354589.db2.gz TXYXIQJDOKHQDT-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331131536 427354596 /nfs/dbraw/zinc/35/45/96/427354596.db2.gz TXYXIQJDOKHQDT-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+](CC(=O)OC)C2CC2)ccc1OC ZINC000271298654 427488058 /nfs/dbraw/zinc/48/80/58/427488058.db2.gz TVYODXZTUGXHKT-UHFFFAOYSA-N 1 2 319.401 2.788 20 30 DFEDLO C=C(C)COc1cc(C[N@H+](CC(=O)OC)C2CC2)ccc1OC ZINC000271298654 427488064 /nfs/dbraw/zinc/48/80/64/427488064.db2.gz TVYODXZTUGXHKT-UHFFFAOYSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000271377226 427516615 /nfs/dbraw/zinc/51/66/15/427516615.db2.gz HUXFLKCIWDWKKI-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000271377226 427516621 /nfs/dbraw/zinc/51/66/21/427516621.db2.gz HUXFLKCIWDWKKI-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000286453675 427534953 /nfs/dbraw/zinc/53/49/53/427534953.db2.gz RVKCQHKDCPKFJI-CQSZACIVSA-N 1 2 324.359 2.866 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286319831 427490536 /nfs/dbraw/zinc/49/05/36/427490536.db2.gz FIWMQDFHQAHTQW-AWEZNQCLSA-N 1 2 310.344 2.683 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286319831 427490541 /nfs/dbraw/zinc/49/05/41/427490541.db2.gz FIWMQDFHQAHTQW-AWEZNQCLSA-N 1 2 310.344 2.683 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263959155 427621808 /nfs/dbraw/zinc/62/18/08/427621808.db2.gz VHFJLACSHYSIQV-KXPUMZMLSA-N 1 2 306.369 2.701 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3ccc(C#N)s3)cc2[nH+]1 ZINC000338920023 427558639 /nfs/dbraw/zinc/55/86/39/427558639.db2.gz OFYAYHLBZMBDHM-UHFFFAOYSA-N 1 2 311.370 2.814 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3sccc3C#N)cc2[nH+]1 ZINC000338921783 427559568 /nfs/dbraw/zinc/55/95/68/427559568.db2.gz USISPAQYHQXQDH-UHFFFAOYSA-N 1 2 311.370 2.814 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298285783 427559806 /nfs/dbraw/zinc/55/98/06/427559806.db2.gz NXWKZWRZMVFBLZ-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298285783 427559810 /nfs/dbraw/zinc/55/98/10/427559810.db2.gz NXWKZWRZMVFBLZ-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO CCc1nnc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123721 427568200 /nfs/dbraw/zinc/56/82/00/427568200.db2.gz LXYCRLVJUDZNRW-DOMZBBRYSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123721 427568207 /nfs/dbraw/zinc/56/82/07/427568207.db2.gz LXYCRLVJUDZNRW-DOMZBBRYSA-N 1 2 312.373 2.638 20 30 DFEDLO Cc1cc(C#N)nc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000287488642 427623066 /nfs/dbraw/zinc/62/30/66/427623066.db2.gz XXRGNCBNWSCLPS-AWEZNQCLSA-N 1 2 317.343 2.650 20 30 DFEDLO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287395639 427599830 /nfs/dbraw/zinc/59/98/30/427599830.db2.gz RNYYSXJPFIIBJG-LLVKDONJSA-N 1 2 323.234 2.914 20 30 DFEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000279232777 427606295 /nfs/dbraw/zinc/60/62/95/427606295.db2.gz DYINEGZZGTVHET-INIZCTEOSA-N 1 2 321.446 2.676 20 30 DFEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000279232777 427606301 /nfs/dbraw/zinc/60/63/01/427606301.db2.gz DYINEGZZGTVHET-INIZCTEOSA-N 1 2 321.446 2.676 20 30 DFEDLO C=C(Br)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264056468 427645924 /nfs/dbraw/zinc/64/59/24/427645924.db2.gz VBVOVQPWLWGGQB-UHFFFAOYSA-N 1 2 312.133 2.786 20 30 DFEDLO N#Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1F ZINC000343371078 272128881 /nfs/dbraw/zinc/12/88/81/272128881.db2.gz UILPCBAWYJXVDQ-UHFFFAOYSA-N 1 2 321.315 2.589 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C34CCC(CC3)C4)CC2)cc1 ZINC000344675658 272355183 /nfs/dbraw/zinc/35/51/83/272355183.db2.gz FSWHTLOZTRAIIH-UHFFFAOYSA-N 1 2 323.440 2.783 20 30 DFEDLO C=CCOCCN1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000339154656 427706890 /nfs/dbraw/zinc/70/68/90/427706890.db2.gz AKRWWKMDEUHZHB-QGZVFWFLSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOCCN1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000339154656 427706895 /nfs/dbraw/zinc/70/68/95/427706895.db2.gz AKRWWKMDEUHZHB-QGZVFWFLSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCN(CCc1ccccc1)c1ncnc2c1C[N@H+](C)CC2 ZINC000299636950 427767110 /nfs/dbraw/zinc/76/71/10/427767110.db2.gz VAFFTXNIMQFVKH-UHFFFAOYSA-N 1 2 308.429 2.700 20 30 DFEDLO C=CCN(CCc1ccccc1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000299636950 427767113 /nfs/dbraw/zinc/76/71/13/427767113.db2.gz VAFFTXNIMQFVKH-UHFFFAOYSA-N 1 2 308.429 2.700 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336980398 427783401 /nfs/dbraw/zinc/78/34/01/427783401.db2.gz SAOPWEGUWWGHNH-UONOGXRCSA-N 1 2 302.422 2.683 20 30 DFEDLO N#Cc1nc(NCc2ccn3cc[nH+]c3c2)ccc1C(F)(F)F ZINC000337017339 427789373 /nfs/dbraw/zinc/78/93/73/427789373.db2.gz NBKKZEXAGFMSIM-UHFFFAOYSA-N 1 2 317.274 3.232 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CCC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339277366 427747378 /nfs/dbraw/zinc/74/73/78/427747378.db2.gz ZDNMIRZPSBEPOC-IAGOWNOFSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CCC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339277366 427747383 /nfs/dbraw/zinc/74/73/83/427747383.db2.gz ZDNMIRZPSBEPOC-IAGOWNOFSA-N 1 2 323.481 2.664 20 30 DFEDLO C[N@H+](Cc1ncnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000337129518 427802994 /nfs/dbraw/zinc/80/29/94/427802994.db2.gz IVUKPOLNHHQNBM-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1ncnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000337129518 427802998 /nfs/dbraw/zinc/80/29/98/427802998.db2.gz IVUKPOLNHHQNBM-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO COc1cccc2c1OC[C@H](Nc1cc(C)[nH+]c(C)c1C#N)C2 ZINC000301667459 427814200 /nfs/dbraw/zinc/81/42/00/427814200.db2.gz MHSBDMQUSWIRDO-CQSZACIVSA-N 1 2 309.369 2.994 20 30 DFEDLO Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301678341 427814941 /nfs/dbraw/zinc/81/49/41/427814941.db2.gz QZMHTFMEQAKVOP-UHFFFAOYSA-N 1 2 324.384 2.880 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000337216175 427817383 /nfs/dbraw/zinc/81/73/83/427817383.db2.gz HPPCFWPKNCWFJP-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301764953 427822499 /nfs/dbraw/zinc/82/24/99/427822499.db2.gz GZRRNQQUMQSATN-CYBMUJFWSA-N 1 2 316.405 2.674 20 30 DFEDLO N#Cc1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000301856191 427830600 /nfs/dbraw/zinc/83/06/00/427830600.db2.gz YYRBPODTLSDPBV-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000355659053 427837540 /nfs/dbraw/zinc/83/75/40/427837540.db2.gz XXXDDIOSWCXFFH-GOSISDBHSA-N 1 2 320.396 2.813 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000355659053 427837542 /nfs/dbraw/zinc/83/75/42/427837542.db2.gz XXXDDIOSWCXFFH-GOSISDBHSA-N 1 2 320.396 2.813 20 30 DFEDLO C=C(C)C[N@@H+](CC)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000339842288 427846822 /nfs/dbraw/zinc/84/68/22/427846822.db2.gz DEBSLCTZWMBTTL-UHFFFAOYSA-N 1 2 312.421 2.904 20 30 DFEDLO C=C(C)C[N@H+](CC)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000339842288 427846831 /nfs/dbraw/zinc/84/68/31/427846831.db2.gz DEBSLCTZWMBTTL-UHFFFAOYSA-N 1 2 312.421 2.904 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000359472791 427866120 /nfs/dbraw/zinc/86/61/20/427866120.db2.gz LRLCHZFRGRDJIH-UHFFFAOYSA-N 1 2 315.764 2.840 20 30 DFEDLO N#Cc1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000345710332 427870421 /nfs/dbraw/zinc/87/04/21/427870421.db2.gz DAUJQNLLGWFVQG-CYBMUJFWSA-N 1 2 300.749 2.659 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(c3ccccc3C)C2)C1=O ZINC000337379627 427874438 /nfs/dbraw/zinc/87/44/38/427874438.db2.gz BUBGCAVUVCLCMS-AEFFLSMTSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](F)(c3ccccc3C)C2)C1=O ZINC000337379627 427874440 /nfs/dbraw/zinc/87/44/40/427874440.db2.gz BUBGCAVUVCLCMS-AEFFLSMTSA-N 1 2 302.393 2.652 20 30 DFEDLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000340539396 427878048 /nfs/dbraw/zinc/87/80/48/427878048.db2.gz YWLVBFLFADWSHG-CQSZACIVSA-N 1 2 303.369 2.990 20 30 DFEDLO CC(C)(C#N)c1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349867018 427885576 /nfs/dbraw/zinc/88/55/76/427885576.db2.gz XOZXSTNHUBGEPE-CYBMUJFWSA-N 1 2 304.394 2.577 20 30 DFEDLO CC(C)(C#N)c1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349867018 427885580 /nfs/dbraw/zinc/88/55/80/427885580.db2.gz XOZXSTNHUBGEPE-CYBMUJFWSA-N 1 2 304.394 2.577 20 30 DFEDLO C=CCCCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000349905828 427894340 /nfs/dbraw/zinc/89/43/40/427894340.db2.gz NVOPXZFCPLPZPS-UHFFFAOYSA-N 1 2 302.422 2.578 20 30 DFEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000337430080 427902064 /nfs/dbraw/zinc/90/20/64/427902064.db2.gz YJOBYBQSPHLMHT-SFHVURJKSA-N 1 2 317.408 2.547 20 30 DFEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000337430080 427902069 /nfs/dbraw/zinc/90/20/69/427902069.db2.gz YJOBYBQSPHLMHT-SFHVURJKSA-N 1 2 317.408 2.547 20 30 DFEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000337440373 427905419 /nfs/dbraw/zinc/90/54/19/427905419.db2.gz FOSLCKXZOVIKED-GOSISDBHSA-N 1 2 323.371 2.591 20 30 DFEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000337440373 427905424 /nfs/dbraw/zinc/90/54/24/427905424.db2.gz FOSLCKXZOVIKED-GOSISDBHSA-N 1 2 323.371 2.591 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340191528 427954356 /nfs/dbraw/zinc/95/43/56/427954356.db2.gz IFPHXLYYMFRVMI-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340191528 427954358 /nfs/dbraw/zinc/95/43/58/427954358.db2.gz IFPHXLYYMFRVMI-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO C[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1cccc(C#N)c1 ZINC000345985316 427975134 /nfs/dbraw/zinc/97/51/34/427975134.db2.gz CMVZBHGULDYFQT-UHFFFAOYSA-N 1 2 310.279 2.678 20 30 DFEDLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1cccc(C#N)c1 ZINC000345985316 427975139 /nfs/dbraw/zinc/97/51/39/427975139.db2.gz CMVZBHGULDYFQT-UHFFFAOYSA-N 1 2 310.279 2.678 20 30 DFEDLO CCOc1ccccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341100684 427989345 /nfs/dbraw/zinc/98/93/45/427989345.db2.gz OJRCTKVHTGUYRC-UGSOOPFHSA-N 1 2 323.396 2.834 20 30 DFEDLO CC[N@H+](CC(=O)NCC(C)(C)C#N)Cc1ccccc1Cl ZINC000355875948 427930773 /nfs/dbraw/zinc/93/07/73/427930773.db2.gz DSHSEAUHPIHFPF-UHFFFAOYSA-N 1 2 307.825 2.828 20 30 DFEDLO CC[N@@H+](CC(=O)NCC(C)(C)C#N)Cc1ccccc1Cl ZINC000355875948 427930778 /nfs/dbraw/zinc/93/07/78/427930778.db2.gz DSHSEAUHPIHFPF-UHFFFAOYSA-N 1 2 307.825 2.828 20 30 DFEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000340717868 427933731 /nfs/dbraw/zinc/93/37/31/427933731.db2.gz KMYPGOACYRPWAI-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350174212 427935587 /nfs/dbraw/zinc/93/55/87/427935587.db2.gz ACQFQIADLAJGAQ-GFCCVEGCSA-N 1 2 306.325 2.612 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304640881 427940834 /nfs/dbraw/zinc/94/08/34/427940834.db2.gz WSOOTGKGELCUQZ-VIFPVBQESA-N 1 2 302.134 2.674 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304640881 427940841 /nfs/dbraw/zinc/94/08/41/427940841.db2.gz WSOOTGKGELCUQZ-VIFPVBQESA-N 1 2 302.134 2.674 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340917011 427951754 /nfs/dbraw/zinc/95/17/54/427951754.db2.gz KVSHOKUMUGOGLD-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340917011 427951756 /nfs/dbraw/zinc/95/17/56/427951756.db2.gz KVSHOKUMUGOGLD-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)CC1CC1)C2 ZINC000369642221 428023290 /nfs/dbraw/zinc/02/32/90/428023290.db2.gz XCMQVCGSHUOUPQ-CQSZACIVSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)CC1CC1)CC2 ZINC000369642221 428023295 /nfs/dbraw/zinc/02/32/95/428023295.db2.gz XCMQVCGSHUOUPQ-CQSZACIVSA-N 1 2 314.433 2.790 20 30 DFEDLO CC[C@@H](O)C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356119927 428031085 /nfs/dbraw/zinc/03/10/85/428031085.db2.gz FYKULWVOWFNVCY-OAHLLOKOSA-N 1 2 301.415 2.788 20 30 DFEDLO CC[C@@H](O)C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356119927 428031089 /nfs/dbraw/zinc/03/10/89/428031089.db2.gz FYKULWVOWFNVCY-OAHLLOKOSA-N 1 2 301.415 2.788 20 30 DFEDLO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000359844085 428042516 /nfs/dbraw/zinc/04/25/16/428042516.db2.gz RYVBTWSOUKJHMN-HNNXBMFYSA-N 1 2 322.840 2.684 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)no1 ZINC000356195938 428062457 /nfs/dbraw/zinc/06/24/57/428062457.db2.gz RKLCULSYGXFYKY-LLVKDONJSA-N 1 2 317.418 2.901 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)no1 ZINC000356195938 428062463 /nfs/dbraw/zinc/06/24/63/428062463.db2.gz RKLCULSYGXFYKY-LLVKDONJSA-N 1 2 317.418 2.901 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000359883398 428059804 /nfs/dbraw/zinc/05/98/04/428059804.db2.gz LPZRHMJOYRSOOS-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000359883398 428059810 /nfs/dbraw/zinc/05/98/10/428059810.db2.gz LPZRHMJOYRSOOS-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369786329 428059895 /nfs/dbraw/zinc/05/98/95/428059895.db2.gz GAFPSYTXVNOSJJ-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369786329 428059899 /nfs/dbraw/zinc/05/98/99/428059899.db2.gz GAFPSYTXVNOSJJ-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000356057628 428001779 /nfs/dbraw/zinc/00/17/79/428001779.db2.gz DVDTUEJEISDESS-UHFFFAOYSA-N 1 2 324.409 2.930 20 30 DFEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H](F)C[C@@H]2C(N)=O)cc1 ZINC000346065981 428007587 /nfs/dbraw/zinc/00/75/87/428007587.db2.gz ICHVBUBWDWHVQG-SJLPKXTDSA-N 1 2 323.371 2.623 20 30 DFEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H](F)C[C@@H]2C(N)=O)cc1 ZINC000346065981 428007590 /nfs/dbraw/zinc/00/75/90/428007590.db2.gz ICHVBUBWDWHVQG-SJLPKXTDSA-N 1 2 323.371 2.623 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413293897 428012635 /nfs/dbraw/zinc/01/26/35/428012635.db2.gz HSVXCEJKNLLJQC-UONOGXRCSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413293897 428012638 /nfs/dbraw/zinc/01/26/38/428012638.db2.gz HSVXCEJKNLLJQC-UONOGXRCSA-N 1 2 304.438 2.698 20 30 DFEDLO Cc1cc(NCCc2cccc(C#N)c2)nc(-c2cccnc2)[nH+]1 ZINC000359931823 428080615 /nfs/dbraw/zinc/08/06/15/428080615.db2.gz LSICUMMJESXQSE-UHFFFAOYSA-N 1 2 315.380 3.373 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369875531 428082296 /nfs/dbraw/zinc/08/22/96/428082296.db2.gz VPACAFOZWVWHTA-UHFFFAOYSA-N 1 2 324.384 2.596 20 30 DFEDLO Cc1cn2cc(NC(=O)Cc3c(F)cccc3C#N)ccc2[nH+]1 ZINC000351834433 428111769 /nfs/dbraw/zinc/11/17/69/428111769.db2.gz DJAUAMUJLOVLFI-UHFFFAOYSA-N 1 2 308.316 2.835 20 30 DFEDLO N#Cc1csc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000356303711 428115960 /nfs/dbraw/zinc/11/59/60/428115960.db2.gz NUUZHLAFUUXNFC-CQSZACIVSA-N 1 2 313.430 2.954 20 30 DFEDLO N#Cc1csc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)n1 ZINC000356432121 428174174 /nfs/dbraw/zinc/17/41/74/428174174.db2.gz FQOBFFORVPSZHX-UHFFFAOYSA-N 1 2 321.409 2.759 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000414108238 428207905 /nfs/dbraw/zinc/20/79/05/428207905.db2.gz GDRYTWFJSFYJGV-VIFPVBQESA-N 1 2 319.361 2.791 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)Cc3c(F)cccc3C#N)cn21 ZINC000352694751 428208564 /nfs/dbraw/zinc/20/85/64/428208564.db2.gz ZDBRUUVABBFMMF-UHFFFAOYSA-N 1 2 322.343 2.512 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc2ccccc2n1 ZINC000414104394 428208991 /nfs/dbraw/zinc/20/89/91/428208991.db2.gz YUWDWCNVJMLJNI-AWEZNQCLSA-N 1 2 301.415 2.533 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc2ccccc2n1 ZINC000414104394 428208995 /nfs/dbraw/zinc/20/89/95/428208995.db2.gz YUWDWCNVJMLJNI-AWEZNQCLSA-N 1 2 301.415 2.533 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468791 428192903 /nfs/dbraw/zinc/19/29/03/428192903.db2.gz COUDQUWYRWQLHK-CHWSQXEVSA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468791 428192908 /nfs/dbraw/zinc/19/29/08/428192908.db2.gz COUDQUWYRWQLHK-CHWSQXEVSA-N 1 2 307.825 2.826 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352685516 428202796 /nfs/dbraw/zinc/20/27/96/428202796.db2.gz IWGIGEWBKXZGCZ-OCCSQVGLSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352685516 428202804 /nfs/dbraw/zinc/20/28/04/428202804.db2.gz IWGIGEWBKXZGCZ-OCCSQVGLSA-N 1 2 316.298 2.690 20 30 DFEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000341986405 428270247 /nfs/dbraw/zinc/27/02/47/428270247.db2.gz ZINNOULAVPOWJJ-HNNXBMFYSA-N 1 2 315.417 2.574 20 30 DFEDLO CCCCCCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000360371531 428272633 /nfs/dbraw/zinc/27/26/33/428272633.db2.gz IGCUXFNUZUEOQT-UHFFFAOYSA-N 1 2 320.481 2.815 20 30 DFEDLO CCCCCCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000360371531 428272637 /nfs/dbraw/zinc/27/26/37/428272637.db2.gz IGCUXFNUZUEOQT-UHFFFAOYSA-N 1 2 320.481 2.815 20 30 DFEDLO CCCCCCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000360371531 428272643 /nfs/dbraw/zinc/27/26/43/428272643.db2.gz IGCUXFNUZUEOQT-UHFFFAOYSA-N 1 2 320.481 2.815 20 30 DFEDLO N#Cc1csc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000352838901 428274078 /nfs/dbraw/zinc/27/40/78/428274078.db2.gz GYCRJPRVEIQCLH-ZDUSSCGKSA-N 1 2 302.403 2.534 20 30 DFEDLO COC(=O)CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352854073 428281976 /nfs/dbraw/zinc/28/19/76/428281976.db2.gz POOYRZNYRNEBDF-CQSZACIVSA-N 1 2 315.398 2.799 20 30 DFEDLO CN(C)c1[nH+]cccc1CNc1nc2c(cc1C#N)CCCC2 ZINC000346829418 428334341 /nfs/dbraw/zinc/33/43/41/428334341.db2.gz KMIGEIHRLWHPMN-UHFFFAOYSA-N 1 2 307.401 2.905 20 30 DFEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346830740 428337372 /nfs/dbraw/zinc/33/73/72/428337372.db2.gz HVSBZBIYNVJNHX-UHFFFAOYSA-N 1 2 303.381 2.599 20 30 DFEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346830740 428337376 /nfs/dbraw/zinc/33/73/76/428337376.db2.gz HVSBZBIYNVJNHX-UHFFFAOYSA-N 1 2 303.381 2.599 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371045861 428346190 /nfs/dbraw/zinc/34/61/90/428346190.db2.gz WXNQEPHGZLQPCP-CQSZACIVSA-N 1 2 309.373 2.622 20 30 DFEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346878188 428354616 /nfs/dbraw/zinc/35/46/16/428354616.db2.gz LRXWBYWBCXHQLB-ZFWWWQNUSA-N 1 2 314.389 2.650 20 30 DFEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346878188 428354621 /nfs/dbraw/zinc/35/46/21/428354621.db2.gz LRXWBYWBCXHQLB-ZFWWWQNUSA-N 1 2 314.389 2.650 20 30 DFEDLO N#CCc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000357120149 428396423 /nfs/dbraw/zinc/39/64/23/428396423.db2.gz VFYSLCXZRAHNJV-UHFFFAOYSA-N 1 2 303.325 2.586 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C#N)s1 ZINC000346995694 428400248 /nfs/dbraw/zinc/40/02/48/428400248.db2.gz WUSHOHRQVQREEG-UHFFFAOYSA-N 1 2 316.430 2.931 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC2(C#N)CC2)C[C@H]1C(F)(F)F ZINC000353162754 428410454 /nfs/dbraw/zinc/41/04/54/428410454.db2.gz BHRLEAJYBJMQNV-WDEREUQCSA-N 1 2 318.339 2.742 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@H]1C(F)(F)F ZINC000353162754 428410458 /nfs/dbraw/zinc/41/04/58/428410458.db2.gz BHRLEAJYBJMQNV-WDEREUQCSA-N 1 2 318.339 2.742 20 30 DFEDLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000356919061 428360542 /nfs/dbraw/zinc/36/05/42/428360542.db2.gz NZXVSUJXFDEDCW-GFCCVEGCSA-N 1 2 300.362 2.911 20 30 DFEDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc(C#N)c1 ZINC000360609272 428366081 /nfs/dbraw/zinc/36/60/81/428366081.db2.gz BBOLNWIWEAITPD-MLGOLLRUSA-N 1 2 308.385 2.663 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000346905276 428366438 /nfs/dbraw/zinc/36/64/38/428366438.db2.gz CELBTRDNEZRHGV-WBVHZDCISA-N 1 2 319.449 2.665 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(CC)s2)cc1OC ZINC000353095863 428383381 /nfs/dbraw/zinc/38/33/81/428383381.db2.gz QCOCSWCFMYQVLM-UHFFFAOYSA-N 1 2 319.430 2.964 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342573422 428434039 /nfs/dbraw/zinc/43/40/39/428434039.db2.gz NUDXDURMGGAYFE-CYBMUJFWSA-N 1 2 304.438 2.713 20 30 DFEDLO C=CCSCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372398079 428436509 /nfs/dbraw/zinc/43/65/09/428436509.db2.gz YFXZTZQVDIWTDV-LBPRGKRZSA-N 1 2 307.463 2.673 20 30 DFEDLO C=CCSCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372398079 428436513 /nfs/dbraw/zinc/43/65/13/428436513.db2.gz YFXZTZQVDIWTDV-LBPRGKRZSA-N 1 2 307.463 2.673 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000342834505 428465342 /nfs/dbraw/zinc/46/53/42/428465342.db2.gz DRLVRDIRHUANNH-UHFFFAOYSA-N 1 2 319.352 2.914 20 30 DFEDLO COc1cc(NCc2cccc(C#N)c2)[nH+]cc1Br ZINC000342819579 428465488 /nfs/dbraw/zinc/46/54/88/428465488.db2.gz CIGPAKFZKBHOPT-UHFFFAOYSA-N 1 2 318.174 3.336 20 30 DFEDLO Cc1cc(C#N)cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000342406169 428424867 /nfs/dbraw/zinc/42/48/67/428424867.db2.gz FTKRUZMHLHYPCH-HNNXBMFYSA-N 1 2 316.355 3.255 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000372260037 428426266 /nfs/dbraw/zinc/42/62/66/428426266.db2.gz FVQOXBQJYBQWFQ-CQSZACIVSA-N 1 2 324.384 2.767 20 30 DFEDLO C=CCCOCCCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342951958 428495232 /nfs/dbraw/zinc/49/52/32/428495232.db2.gz NBTJJNHENVUONO-INIZCTEOSA-N 1 2 319.449 2.948 20 30 DFEDLO OCCC[N@H+](CC#Cc1ccccc1Cl)Cc1ccccn1 ZINC000347227254 428499992 /nfs/dbraw/zinc/49/99/92/428499992.db2.gz ZCXKCSBYKKLURY-UHFFFAOYSA-N 1 2 314.816 2.971 20 30 DFEDLO OCCC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccn1 ZINC000347227254 428499997 /nfs/dbraw/zinc/49/99/97/428499997.db2.gz ZCXKCSBYKKLURY-UHFFFAOYSA-N 1 2 314.816 2.971 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(CCOC)[C@@H](CC)C2)cc1 ZINC000353363005 428503238 /nfs/dbraw/zinc/50/32/38/428503238.db2.gz HVTVEIYFOXGRFP-SFHVURJKSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(CCOC)[C@@H](CC)C2)cc1 ZINC000353363005 428503242 /nfs/dbraw/zinc/50/32/42/428503242.db2.gz HVTVEIYFOXGRFP-SFHVURJKSA-N 1 2 318.461 2.794 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(CC#N)cc1 ZINC000372996036 428509888 /nfs/dbraw/zinc/50/98/88/428509888.db2.gz JRPCLZKHFHZHSU-UHFFFAOYSA-N 1 2 323.400 2.949 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000343125297 428519946 /nfs/dbraw/zinc/51/99/46/428519946.db2.gz RHQNAENKUNJOAV-LKTVYLICSA-N 1 2 309.360 2.584 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000343125297 428519953 /nfs/dbraw/zinc/51/99/53/428519953.db2.gz RHQNAENKUNJOAV-LKTVYLICSA-N 1 2 309.360 2.584 20 30 DFEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000373211480 428525038 /nfs/dbraw/zinc/52/50/38/428525038.db2.gz LUKFNCWHLQRMQF-HNNXBMFYSA-N 1 2 304.353 2.986 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2cc(Cl)ccn2c1C#N ZINC000357306101 428475243 /nfs/dbraw/zinc/47/52/43/428475243.db2.gz BNYZKFOYMANDBO-SNVBAGLBSA-N 1 2 300.753 2.556 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000361604778 428582542 /nfs/dbraw/zinc/58/25/42/428582542.db2.gz VFQLDHCPAQZIJA-UHFFFAOYSA-N 1 2 311.429 2.996 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000361604778 428582548 /nfs/dbraw/zinc/58/25/48/428582548.db2.gz VFQLDHCPAQZIJA-UHFFFAOYSA-N 1 2 311.429 2.996 20 30 DFEDLO C[N@H+](CC1(C#N)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000347457613 428583291 /nfs/dbraw/zinc/58/32/91/428583291.db2.gz KOAJFZWYIKPPPH-ZDUSSCGKSA-N 1 2 309.207 2.718 20 30 DFEDLO C[N@@H+](CC1(C#N)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000347457613 428583299 /nfs/dbraw/zinc/58/32/99/428583299.db2.gz KOAJFZWYIKPPPH-ZDUSSCGKSA-N 1 2 309.207 2.718 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)ccc2[nH+]1 ZINC000343864651 428584324 /nfs/dbraw/zinc/58/43/24/428584324.db2.gz FYZSOEMAWCKYRU-CYBMUJFWSA-N 1 2 320.352 2.920 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000353562792 428595100 /nfs/dbraw/zinc/59/51/00/428595100.db2.gz QDCUQCMNYQCBIB-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO CC[C@H](C)[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000347493217 428590846 /nfs/dbraw/zinc/59/08/46/428590846.db2.gz WPFQUGZYMFTMSO-HOTGVXAUSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000347493217 428590853 /nfs/dbraw/zinc/59/08/53/428590853.db2.gz WPFQUGZYMFTMSO-HOTGVXAUSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493217 428590859 /nfs/dbraw/zinc/59/08/59/428590859.db2.gz WPFQUGZYMFTMSO-HOTGVXAUSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493217 428590866 /nfs/dbraw/zinc/59/08/66/428590866.db2.gz WPFQUGZYMFTMSO-HOTGVXAUSA-N 1 2 300.450 2.626 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000353562792 428595104 /nfs/dbraw/zinc/59/51/04/428595104.db2.gz QDCUQCMNYQCBIB-MRXNPFEDSA-N 1 2 316.401 2.743 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)CCC2 ZINC000357434010 428533573 /nfs/dbraw/zinc/53/35/73/428533573.db2.gz BSIDFJWMFSMFIP-CYBMUJFWSA-N 1 2 311.345 2.961 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C(=O)OC ZINC000361110909 428538641 /nfs/dbraw/zinc/53/86/41/428538641.db2.gz RPULJLFJBKETTM-KURKYZTESA-N 1 2 317.429 2.732 20 30 DFEDLO C[C@@H]1CCCN(c2cc(N3CCC(F)(C#N)CC3)[nH+]cn2)C1 ZINC000343235290 428538730 /nfs/dbraw/zinc/53/87/30/428538730.db2.gz PCSPMKGRFIZYJJ-CYBMUJFWSA-N 1 2 303.385 2.545 20 30 DFEDLO C[C@@H]1CCCN(c2cc(N3CCC(F)(C#N)CC3)nc[nH+]2)C1 ZINC000343235290 428538735 /nfs/dbraw/zinc/53/87/35/428538735.db2.gz PCSPMKGRFIZYJJ-CYBMUJFWSA-N 1 2 303.385 2.545 20 30 DFEDLO C=CCOc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000343228338 428538793 /nfs/dbraw/zinc/53/87/93/428538793.db2.gz WXLKYKRCZUOELD-UHFFFAOYSA-N 1 2 310.401 3.475 20 30 DFEDLO C=CCOc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000343228338 428538799 /nfs/dbraw/zinc/53/87/99/428538799.db2.gz WXLKYKRCZUOELD-UHFFFAOYSA-N 1 2 310.401 3.475 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccc(C#N)c1Cl ZINC000343230478 428539335 /nfs/dbraw/zinc/53/93/35/428539335.db2.gz VDNQVIYGTJGSSZ-UHFFFAOYSA-N 1 2 301.781 2.776 20 30 DFEDLO Cn1c[nH+]cc1CNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000357589824 428549086 /nfs/dbraw/zinc/54/90/86/428549086.db2.gz AJUXXAFWOVPCHB-UHFFFAOYSA-N 1 2 315.739 2.666 20 30 DFEDLO C[C@H](C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000357831073 428565431 /nfs/dbraw/zinc/56/54/31/428565431.db2.gz OJTYGTLZNYEJHX-BXUZGUMPSA-N 1 2 323.799 2.892 20 30 DFEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000357916348 428572697 /nfs/dbraw/zinc/57/26/97/428572697.db2.gz QXJAZXIFCXLSKG-ISXOHVOVSA-N 1 2 304.438 2.541 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000357916348 428572701 /nfs/dbraw/zinc/57/27/01/428572701.db2.gz QXJAZXIFCXLSKG-ISXOHVOVSA-N 1 2 304.438 2.541 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000361509898 428573568 /nfs/dbraw/zinc/57/35/68/428573568.db2.gz FKEAYJVPHXNQHK-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000361509898 428573573 /nfs/dbraw/zinc/57/35/73/428573573.db2.gz FKEAYJVPHXNQHK-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373567563 428609320 /nfs/dbraw/zinc/60/93/20/428609320.db2.gz MVMYYPBCPPWDTC-ZDUSSCGKSA-N 1 2 308.385 2.885 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000361997520 428609879 /nfs/dbraw/zinc/60/98/79/428609879.db2.gz WBVOCEHBCCRGIR-UHFFFAOYSA-N 1 2 306.435 2.525 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000361997520 428609883 /nfs/dbraw/zinc/60/98/83/428609883.db2.gz WBVOCEHBCCRGIR-UHFFFAOYSA-N 1 2 306.435 2.525 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)S1=O ZINC000362089481 428615193 /nfs/dbraw/zinc/61/51/93/428615193.db2.gz IWBPXUSCAJGCBB-ZIAGYGMSSA-N 1 2 304.459 2.829 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347619576 428619390 /nfs/dbraw/zinc/61/93/90/428619390.db2.gz ZCFIELWIXYXPJS-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347619576 428619393 /nfs/dbraw/zinc/61/93/93/428619393.db2.gz ZCFIELWIXYXPJS-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000347708728 428622703 /nfs/dbraw/zinc/62/27/03/428622703.db2.gz SAISMFHPJGLRAL-XEZPLFJOSA-N 1 2 301.390 2.694 20 30 DFEDLO Cc1csc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126902 428624002 /nfs/dbraw/zinc/62/40/02/428624002.db2.gz YEMKFTUVJIYVPH-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO Cc1csc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126902 428624008 /nfs/dbraw/zinc/62/40/08/428624008.db2.gz YEMKFTUVJIYVPH-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)ccc1F ZINC000344371676 428632763 /nfs/dbraw/zinc/63/27/63/428632763.db2.gz TXBKLCUPWGOTEO-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)ccc1F ZINC000344371676 428632769 /nfs/dbraw/zinc/63/27/69/428632769.db2.gz TXBKLCUPWGOTEO-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000348175930 428640644 /nfs/dbraw/zinc/64/06/44/428640644.db2.gz PJBXWAXFTJMQNB-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000348175930 428640647 /nfs/dbraw/zinc/64/06/47/428640647.db2.gz PJBXWAXFTJMQNB-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO CC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000373804436 428649028 /nfs/dbraw/zinc/64/90/28/428649028.db2.gz IKMHKANSHISFOG-ZWKOTPCHSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000373804436 428649034 /nfs/dbraw/zinc/64/90/34/428649034.db2.gz IKMHKANSHISFOG-ZWKOTPCHSA-N 1 2 319.832 2.961 20 30 DFEDLO N#CC1(CCC[N@@H+]2CCOC[C@H]2c2ccco2)CCOCC1 ZINC000374061308 428660827 /nfs/dbraw/zinc/66/08/27/428660827.db2.gz LYHZAQSVEQCZLE-HNNXBMFYSA-N 1 2 304.390 2.753 20 30 DFEDLO N#CC1(CCC[N@H+]2CCOC[C@H]2c2ccco2)CCOCC1 ZINC000374061308 428660833 /nfs/dbraw/zinc/66/08/33/428660833.db2.gz LYHZAQSVEQCZLE-HNNXBMFYSA-N 1 2 304.390 2.753 20 30 DFEDLO N#CCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000374386243 428676116 /nfs/dbraw/zinc/67/61/16/428676116.db2.gz MMGHHBFZAMEBOY-SFHVURJKSA-N 1 2 323.371 2.678 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000374186727 428668983 /nfs/dbraw/zinc/66/89/83/428668983.db2.gz FRAURISWCGJWLQ-OAHLLOKOSA-N 1 2 307.438 2.691 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000348307288 428703856 /nfs/dbraw/zinc/70/38/56/428703856.db2.gz ODTXGFPYZYFQHJ-UHFFFAOYSA-N 1 2 301.415 2.869 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC12CCC2 ZINC000348307288 428703862 /nfs/dbraw/zinc/70/38/62/428703862.db2.gz ODTXGFPYZYFQHJ-UHFFFAOYSA-N 1 2 301.415 2.869 20 30 DFEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cs1 ZINC000348324911 428708721 /nfs/dbraw/zinc/70/87/21/428708721.db2.gz QQHJGSKMPUFSRZ-MQIPJXDCSA-N 1 2 322.478 2.799 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374362645 428677936 /nfs/dbraw/zinc/67/79/36/428677936.db2.gz RTHVCOBMAUDNMX-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374362645 428677940 /nfs/dbraw/zinc/67/79/40/428677940.db2.gz RTHVCOBMAUDNMX-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000348499202 428761230 /nfs/dbraw/zinc/76/12/30/428761230.db2.gz ZBOZQHWYFZPERO-QPGLYAHGSA-N 1 2 311.429 2.784 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000411282753 428768743 /nfs/dbraw/zinc/76/87/43/428768743.db2.gz JRAOFRUBSFLHAA-LBPRGKRZSA-N 1 2 317.414 2.944 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362614503 428793358 /nfs/dbraw/zinc/79/33/58/428793358.db2.gz PPXCJSCVDDAAIC-KFWWJZLASA-N 1 2 317.433 2.992 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362614503 428793362 /nfs/dbraw/zinc/79/33/62/428793362.db2.gz PPXCJSCVDDAAIC-KFWWJZLASA-N 1 2 317.433 2.992 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1Cl ZINC000375103029 428799181 /nfs/dbraw/zinc/79/91/81/428799181.db2.gz WBXDEMHPTBBSLU-LBPRGKRZSA-N 1 2 315.764 2.697 20 30 DFEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc2c1OCCO2 ZINC000354033401 428833474 /nfs/dbraw/zinc/83/34/74/428833474.db2.gz LCIUOSGWYYBUSL-GFCCVEGCSA-N 1 2 302.374 2.590 20 30 DFEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc2c1OCCO2 ZINC000354033401 428833476 /nfs/dbraw/zinc/83/34/76/428833476.db2.gz LCIUOSGWYYBUSL-GFCCVEGCSA-N 1 2 302.374 2.590 20 30 DFEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(OC)c1OC ZINC000354033671 428833594 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429151173 /nfs/dbraw/zinc/15/11/73/429151173.db2.gz CWOOEYKSPYZZBL-UHFFFAOYSA-N 1 2 311.429 2.805 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424563695 429152926 /nfs/dbraw/zinc/15/29/26/429152926.db2.gz ORWSEWQCGVQZJU-KRWDZBQOSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424563695 429152930 /nfs/dbraw/zinc/15/29/30/429152930.db2.gz ORWSEWQCGVQZJU-KRWDZBQOSA-N 1 2 316.445 2.606 20 30 DFEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]cn1C(C)C ZINC000424180842 429106107 /nfs/dbraw/zinc/10/61/07/429106107.db2.gz WMRWUUQBYJDUAK-UHFFFAOYSA-N 1 2 314.389 2.973 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363921037 429141303 /nfs/dbraw/zinc/14/13/03/429141303.db2.gz KFALMDFUHQRLNI-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363921037 429141305 /nfs/dbraw/zinc/14/13/05/429141305.db2.gz KFALMDFUHQRLNI-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO 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429248463 /nfs/dbraw/zinc/24/84/63/429248463.db2.gz IJWYIEAEKKJAQU-INIZCTEOSA-N 1 2 310.376 2.904 20 30 DFEDLO Cc1cc(N2CCC[C@@H](CC(=O)OC(C)C)C2)c(C#N)c[nH+]1 ZINC000425238083 429250302 /nfs/dbraw/zinc/25/03/02/429250302.db2.gz IESYUUKYLLSGRX-AWEZNQCLSA-N 1 2 301.390 2.820 20 30 DFEDLO COCCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425250777 429251108 /nfs/dbraw/zinc/25/11/08/429251108.db2.gz GNHAWUUEBFNCQJ-UHFFFAOYSA-N 1 2 311.385 2.711 20 30 DFEDLO COCC[N@H+](Cc1cncn1C(C)C)Cc1ccc(C#N)cc1 ZINC000425323299 429263754 /nfs/dbraw/zinc/26/37/54/429263754.db2.gz IYVLJGRJLPEPKG-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO COCC[N@@H+](Cc1cncn1C(C)C)Cc1ccc(C#N)cc1 ZINC000425323299 429263757 /nfs/dbraw/zinc/26/37/57/429263757.db2.gz IYVLJGRJLPEPKG-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000495815121 429271345 /nfs/dbraw/zinc/27/13/45/429271345.db2.gz WSQOTFPMZUNMOK-INIZCTEOSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000495815121 429271349 /nfs/dbraw/zinc/27/13/49/429271349.db2.gz WSQOTFPMZUNMOK-INIZCTEOSA-N 1 2 319.380 2.798 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Cl)ccc1F ZINC000444708564 429274747 /nfs/dbraw/zinc/27/47/47/429274747.db2.gz RIGKVHSQLKHPSP-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Cl)ccc1F ZINC000444708564 429274749 /nfs/dbraw/zinc/27/47/49/429274749.db2.gz RIGKVHSQLKHPSP-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444692654 429274964 /nfs/dbraw/zinc/27/49/64/429274964.db2.gz FTYQXRMJYUUPSG-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444692654 429274969 /nfs/dbraw/zinc/27/49/69/429274969.db2.gz FTYQXRMJYUUPSG-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C(C)C ZINC000491023301 429319586 /nfs/dbraw/zinc/31/95/86/429319586.db2.gz WXVZILKBFMDRBP-MRXNPFEDSA-N 1 2 314.433 2.529 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000448901629 429320045 /nfs/dbraw/zinc/32/00/45/429320045.db2.gz WWYFBCVBYANRLO-PMUMKWKESA-N 1 2 315.392 2.581 20 30 DFEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000491125710 429326241 /nfs/dbraw/zinc/32/62/41/429326241.db2.gz GSVWANGTMRJXNC-CYBMUJFWSA-N 1 2 305.740 2.626 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000503597913 429334316 /nfs/dbraw/zinc/33/43/16/429334316.db2.gz MTMUFGGBKPOAGQ-LJQANCHMSA-N 1 2 322.408 2.783 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491210678 429335240 /nfs/dbraw/zinc/33/52/40/429335240.db2.gz XKDFFGDGXUSDGW-UHFFFAOYSA-N 1 2 301.415 2.729 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491210678 429335243 /nfs/dbraw/zinc/33/52/43/429335243.db2.gz XKDFFGDGXUSDGW-UHFFFAOYSA-N 1 2 301.415 2.729 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000491229148 429336697 /nfs/dbraw/zinc/33/66/97/429336697.db2.gz FFXAJUXXLFLCNT-WFASDCNBSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000491229148 429336700 /nfs/dbraw/zinc/33/67/00/429336700.db2.gz FFXAJUXXLFLCNT-WFASDCNBSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491254217 429339299 /nfs/dbraw/zinc/33/92/99/429339299.db2.gz RGGFVUNVCMZHCG-SNVBAGLBSA-N 1 2 300.324 2.803 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000491254217 429339304 /nfs/dbraw/zinc/33/93/04/429339304.db2.gz RGGFVUNVCMZHCG-SNVBAGLBSA-N 1 2 300.324 2.803 20 30 DFEDLO N#CCc1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000456732498 429342986 /nfs/dbraw/zinc/34/29/86/429342986.db2.gz NFGVKEMYMZZDOX-SFHVURJKSA-N 1 2 305.381 2.966 20 30 DFEDLO N#CCc1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000456732498 429342988 /nfs/dbraw/zinc/34/29/88/429342988.db2.gz NFGVKEMYMZZDOX-SFHVURJKSA-N 1 2 305.381 2.966 20 30 DFEDLO C#CCn1ccc(CN(CC)c2nc(C3CC3)[nH+]c3c2CCC3)n1 ZINC000491285238 429344342 /nfs/dbraw/zinc/34/43/42/429344342.db2.gz BWEFSTVSGBXSLU-UHFFFAOYSA-N 1 2 321.428 2.699 20 30 DFEDLO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456743337 429344389 /nfs/dbraw/zinc/34/43/89/429344389.db2.gz FUUJSNBJHXWSAN-DLBZAZTESA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456743337 429344392 /nfs/dbraw/zinc/34/43/92/429344392.db2.gz FUUJSNBJHXWSAN-DLBZAZTESA-N 1 2 315.417 2.581 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446759453 429301489 /nfs/dbraw/zinc/30/14/89/429301489.db2.gz CEMFUUPDPNNTIN-JQHSSLGASA-N 1 2 315.388 2.983 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446759453 429301492 /nfs/dbraw/zinc/30/14/92/429301492.db2.gz CEMFUUPDPNNTIN-JQHSSLGASA-N 1 2 315.388 2.983 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456410752 429302110 /nfs/dbraw/zinc/30/21/10/429302110.db2.gz GLPNMCDOHHWPDL-WFASDCNBSA-N 1 2 324.384 2.734 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC2(CCOCC2)O1 ZINC000447821697 429307880 /nfs/dbraw/zinc/30/78/80/429307880.db2.gz MZSNQRFOGHOSOH-HNNXBMFYSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC2(CCOCC2)O1 ZINC000447821697 429307884 /nfs/dbraw/zinc/30/78/84/429307884.db2.gz MZSNQRFOGHOSOH-HNNXBMFYSA-N 1 2 319.832 2.961 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C#N)cc1F ZINC000447850063 429308075 /nfs/dbraw/zinc/30/80/75/429308075.db2.gz KWBVEAIRLKGJIT-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)cc1F ZINC000447850063 429308079 /nfs/dbraw/zinc/30/80/79/429308079.db2.gz KWBVEAIRLKGJIT-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO C=CCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814820 429308099 /nfs/dbraw/zinc/30/80/99/429308099.db2.gz BSZAUXLISUKIEV-UHFFFAOYSA-N 1 2 319.405 2.829 20 30 DFEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000490853028 429309377 /nfs/dbraw/zinc/30/93/77/429309377.db2.gz PKCZZXZJVKPZLG-ZETCQYMHSA-N 1 2 320.261 2.664 20 30 DFEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000490853028 429309381 /nfs/dbraw/zinc/30/93/81/429309381.db2.gz PKCZZXZJVKPZLG-ZETCQYMHSA-N 1 2 320.261 2.664 20 30 DFEDLO C#C[C@@H](CC)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000491692917 429392879 /nfs/dbraw/zinc/39/28/79/429392879.db2.gz BYSQXYLJIWODCB-KRWDZBQOSA-N 1 2 324.428 2.727 20 30 DFEDLO C#CCN(C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000491744293 429400821 /nfs/dbraw/zinc/40/08/21/429400821.db2.gz YUZBYBFWZFBJER-DZGCQCFKSA-N 1 2 300.406 2.866 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)sc2C)n1 ZINC000491768055 429404766 /nfs/dbraw/zinc/40/47/66/429404766.db2.gz JYVNGXAHBMINPW-UHFFFAOYSA-N 1 2 317.458 2.843 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)sc2C)n1 ZINC000491768055 429404774 /nfs/dbraw/zinc/40/47/74/429404774.db2.gz JYVNGXAHBMINPW-UHFFFAOYSA-N 1 2 317.458 2.843 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000491791876 429408329 /nfs/dbraw/zinc/40/83/29/429408329.db2.gz CHPYPKKOTMONLM-SNVBAGLBSA-N 1 2 320.190 2.953 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000491791876 429408333 /nfs/dbraw/zinc/40/83/33/429408333.db2.gz CHPYPKKOTMONLM-SNVBAGLBSA-N 1 2 320.190 2.953 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365679162 429358971 /nfs/dbraw/zinc/35/89/71/429358971.db2.gz LAFZNWQVVGDTMW-SZMVWBNQSA-N 1 2 313.445 2.919 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365679162 429358975 /nfs/dbraw/zinc/35/89/75/429358975.db2.gz LAFZNWQVVGDTMW-SZMVWBNQSA-N 1 2 313.445 2.919 20 30 DFEDLO C#C[C@H](CC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491553824 429373857 /nfs/dbraw/zinc/37/38/57/429373857.db2.gz DABVCWCVXDYRLO-GDBMZVCRSA-N 1 2 315.417 2.613 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000491635508 429381499 /nfs/dbraw/zinc/38/14/99/429381499.db2.gz VJSSJKBRTGTITP-NSHDSACASA-N 1 2 302.399 2.978 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000491635508 429381506 /nfs/dbraw/zinc/38/15/06/429381506.db2.gz VJSSJKBRTGTITP-NSHDSACASA-N 1 2 302.399 2.978 20 30 DFEDLO C#CCn1ccc(C[N@@H+](C/C=C\c2ccccc2)CCOC)n1 ZINC000491634140 429381790 /nfs/dbraw/zinc/38/17/90/429381790.db2.gz QKXFKDLDDOUQNK-YFHOEESVSA-N 1 2 309.413 2.678 20 30 DFEDLO C#CCn1ccc(C[N@H+](C/C=C\c2ccccc2)CCOC)n1 ZINC000491634140 429381795 /nfs/dbraw/zinc/38/17/95/429381795.db2.gz QKXFKDLDDOUQNK-YFHOEESVSA-N 1 2 309.413 2.678 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000491646231 429384996 /nfs/dbraw/zinc/38/49/96/429384996.db2.gz SAIUXGAZZVKUQD-KGLIPLIRSA-N 1 2 315.442 2.830 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000491646231 429384999 /nfs/dbraw/zinc/38/49/99/429384999.db2.gz SAIUXGAZZVKUQD-KGLIPLIRSA-N 1 2 315.442 2.830 20 30 DFEDLO Cc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(C(C)C)[nH+]1 ZINC000517211454 429386851 /nfs/dbraw/zinc/38/68/51/429386851.db2.gz IBWRZWISRXXEPR-OAHLLOKOSA-N 1 2 323.400 2.833 20 30 DFEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000491657354 429386880 /nfs/dbraw/zinc/38/68/80/429386880.db2.gz JZKROCDRUYLSPW-MRXNPFEDSA-N 1 2 307.328 2.507 20 30 DFEDLO Cc1cc(N2CCN(C3CC3)[C@@H](C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000366296305 429447263 /nfs/dbraw/zinc/44/72/63/429447263.db2.gz RQKMEECPWFMUQZ-HNNXBMFYSA-N 1 2 310.376 2.859 20 30 DFEDLO CN1C(=O)C[C@H]([NH2+]CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519517720 429460596 /nfs/dbraw/zinc/46/05/96/429460596.db2.gz OWPGDPOPZSTHAP-ZFWWWQNUSA-N 1 2 321.783 2.644 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000366495931 429464952 /nfs/dbraw/zinc/46/49/52/429464952.db2.gz NJAXOANJXYEWME-LLVKDONJSA-N 1 2 313.336 2.593 20 30 DFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000449661509 429471302 /nfs/dbraw/zinc/47/13/02/429471302.db2.gz CFUCEGKOLNCVRK-CYBMUJFWSA-N 1 2 311.351 2.874 20 30 DFEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000449661509 429471303 /nfs/dbraw/zinc/47/13/03/429471303.db2.gz CFUCEGKOLNCVRK-CYBMUJFWSA-N 1 2 311.351 2.874 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000491802385 429413032 /nfs/dbraw/zinc/41/30/32/429413032.db2.gz GGDSHFVSSMECGJ-SNVBAGLBSA-N 1 2 305.428 2.764 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000491802385 429413042 /nfs/dbraw/zinc/41/30/42/429413042.db2.gz GGDSHFVSSMECGJ-SNVBAGLBSA-N 1 2 305.428 2.764 20 30 DFEDLO C=CCC[C@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OCC ZINC000449657487 429471433 /nfs/dbraw/zinc/47/14/33/429471433.db2.gz PGPBFISJMOXPJZ-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#Cc1cccc(NC(=O)C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000366872520 429531135 /nfs/dbraw/zinc/53/11/35/429531135.db2.gz BOCVFEPIMBBGNW-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428438635 429522325 /nfs/dbraw/zinc/52/23/25/429522325.db2.gz ADCHJAVDCPJBOJ-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428438635 429522328 /nfs/dbraw/zinc/52/23/28/429522328.db2.gz ADCHJAVDCPJBOJ-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO N#Cc1ccnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1Cl ZINC000429211899 429587419 /nfs/dbraw/zinc/58/74/19/429587419.db2.gz ZBXOPSIENJHWLZ-GFCCVEGCSA-N 1 2 313.792 2.940 20 30 DFEDLO N#CCOc1ccc(/C=C\C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000492948481 429651351 /nfs/dbraw/zinc/65/13/51/429651351.db2.gz BWTVBKBMSIMLAF-TWGQIWQCSA-N 1 2 322.368 2.774 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000523449807 429607491 /nfs/dbraw/zinc/60/74/91/429607491.db2.gz YQBWVUDVLKAYIC-KZULUSFZSA-N 1 2 315.392 2.553 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000523449807 429607494 /nfs/dbraw/zinc/60/74/94/429607494.db2.gz YQBWVUDVLKAYIC-KZULUSFZSA-N 1 2 315.392 2.553 20 30 DFEDLO C[N@@H+]1CCN(C(=O)NCCCC#N)C[C@@H]1c1ccccc1Cl ZINC000367470819 429655686 /nfs/dbraw/zinc/65/56/86/429655686.db2.gz WSBVGIAHIOAUFE-OAHLLOKOSA-N 1 2 320.824 2.642 20 30 DFEDLO C[N@H+]1CCN(C(=O)NCCCC#N)C[C@@H]1c1ccccc1Cl ZINC000367470819 429655692 /nfs/dbraw/zinc/65/56/92/429655692.db2.gz WSBVGIAHIOAUFE-OAHLLOKOSA-N 1 2 320.824 2.642 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000367477245 429658053 /nfs/dbraw/zinc/65/80/53/429658053.db2.gz OBPDJXKEWQFDGJ-CEXWTWQISA-N 1 2 317.404 2.693 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000367477245 429658056 /nfs/dbraw/zinc/65/80/56/429658056.db2.gz OBPDJXKEWQFDGJ-CEXWTWQISA-N 1 2 317.404 2.693 20 30 DFEDLO COc1ccccc1[C@H](Nc1cc(C#N)ccn1)c1[nH+]ccn1C ZINC000367519431 429663326 /nfs/dbraw/zinc/66/33/26/429663326.db2.gz OJVGEQBGZYDVQI-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000450649769 429671496 /nfs/dbraw/zinc/67/14/96/429671496.db2.gz QGEXXSHIQWDXNW-IMJJTQAJSA-N 1 2 320.458 2.544 20 30 DFEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000459516977 429699616 /nfs/dbraw/zinc/69/96/16/429699616.db2.gz FBNFSFKOBVATAZ-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000459516977 429699621 /nfs/dbraw/zinc/69/96/21/429699621.db2.gz FBNFSFKOBVATAZ-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO COC(=O)c1cccnc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000459330330 429696273 /nfs/dbraw/zinc/69/62/73/429696273.db2.gz RIGCANPTVHHGSE-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO COC(=O)c1cccnc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000459330330 429696277 /nfs/dbraw/zinc/69/62/77/429696277.db2.gz RIGCANPTVHHGSE-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)OC ZINC000482438540 429725676 /nfs/dbraw/zinc/72/56/76/429725676.db2.gz MFPKXGOXQRHNST-ZACQAIPSSA-N 1 2 303.402 2.657 20 30 DFEDLO CC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483135782 429731139 /nfs/dbraw/zinc/73/11/39/429731139.db2.gz PXQLCOPRXQIDCU-SJLPKXTDSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483135782 429731144 /nfs/dbraw/zinc/73/11/44/429731144.db2.gz PXQLCOPRXQIDCU-SJLPKXTDSA-N 1 2 319.832 2.961 20 30 DFEDLO CCc1cnc(N2CC[NH+](CC#Cc3ccccc3)CC2)s1 ZINC000483965122 429737939 /nfs/dbraw/zinc/73/79/39/429737939.db2.gz YAGKVGQWEMYYRE-UHFFFAOYSA-N 1 2 311.454 2.879 20 30 DFEDLO Cc1csc2c1C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000368009851 429764460 /nfs/dbraw/zinc/76/44/60/429764460.db2.gz XSYRXMPVQJHKIZ-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cc1csc2c1C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000368009851 429764464 /nfs/dbraw/zinc/76/44/64/429764464.db2.gz XSYRXMPVQJHKIZ-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO N#CCC1(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493462359 429767952 /nfs/dbraw/zinc/76/79/52/429767952.db2.gz YIBIDLNUNUYLKE-ZZXKWVIFSA-N 1 2 306.369 2.696 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000528073564 429844724 /nfs/dbraw/zinc/84/47/24/429844724.db2.gz FAUBNFNFYYNSAA-ZIAGYGMSSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000528073564 429844726 /nfs/dbraw/zinc/84/47/26/429844726.db2.gz FAUBNFNFYYNSAA-ZIAGYGMSSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000528073272 429845135 /nfs/dbraw/zinc/84/51/35/429845135.db2.gz CJMZXHUUFOZOQQ-CQSZACIVSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000528073272 429845141 /nfs/dbraw/zinc/84/51/41/429845141.db2.gz CJMZXHUUFOZOQQ-CQSZACIVSA-N 1 2 304.438 2.842 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000494232489 429861147 /nfs/dbraw/zinc/86/11/47/429861147.db2.gz ASBQQBLSYQGFNO-MRXNPFEDSA-N 1 2 314.433 2.932 20 30 DFEDLO C[C@H](C#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528512412 429895320 /nfs/dbraw/zinc/89/53/20/429895320.db2.gz LPNNMSKHLZQYDM-DOMZBBRYSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528512412 429895322 /nfs/dbraw/zinc/89/53/22/429895322.db2.gz LPNNMSKHLZQYDM-DOMZBBRYSA-N 1 2 305.809 2.580 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368815415 429895819 /nfs/dbraw/zinc/89/58/19/429895819.db2.gz CKIVBHZBWKCTCA-LBPRGKRZSA-N 1 2 306.356 2.745 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368815415 429895820 /nfs/dbraw/zinc/89/58/20/429895820.db2.gz CKIVBHZBWKCTCA-LBPRGKRZSA-N 1 2 306.356 2.745 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528521764 429896459 /nfs/dbraw/zinc/89/64/59/429896459.db2.gz RBJDFQSSJXXWCV-WCQYABFASA-N 1 2 309.772 2.866 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)C1=O ZINC000369070032 429910129 /nfs/dbraw/zinc/91/01/29/429910129.db2.gz GBUOXMUKRULGTQ-GOSISDBHSA-N 1 2 309.413 2.621 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)C1=O ZINC000369070032 429910131 /nfs/dbraw/zinc/91/01/31/429910131.db2.gz GBUOXMUKRULGTQ-GOSISDBHSA-N 1 2 309.413 2.621 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528737406 429911426 /nfs/dbraw/zinc/91/14/26/429911426.db2.gz JBMQCCVWGWTDNB-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528737406 429911427 /nfs/dbraw/zinc/91/14/27/429911427.db2.gz JBMQCCVWGWTDNB-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369206401 429919021 /nfs/dbraw/zinc/91/90/21/429919021.db2.gz VLVDNEPUQSVYFI-AWEZNQCLSA-N 1 2 318.421 2.869 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369206401 429919023 /nfs/dbraw/zinc/91/90/23/429919023.db2.gz VLVDNEPUQSVYFI-AWEZNQCLSA-N 1 2 318.421 2.869 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000369272851 429921771 /nfs/dbraw/zinc/92/17/71/429921771.db2.gz DCOLZJBYZLJMHK-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000369272851 429921772 /nfs/dbraw/zinc/92/17/72/429921772.db2.gz DCOLZJBYZLJMHK-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000639724619 429960470 /nfs/dbraw/zinc/96/04/70/429960470.db2.gz AZNSEVRKEPTENX-WDEREUQCSA-N 1 2 313.357 2.854 20 30 DFEDLO Cc1noc([C@@H]2CCCCN2Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000558418198 429971733 /nfs/dbraw/zinc/97/17/33/429971733.db2.gz SCCBVCQVPPJEEA-HNNXBMFYSA-N 1 2 322.372 2.625 20 30 DFEDLO C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)n1cc[nH+]c1 ZINC000573729860 429977275 /nfs/dbraw/zinc/97/72/75/429977275.db2.gz PCMWRGVTSIPOOW-SNVBAGLBSA-N 1 2 320.299 2.946 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639908755 430020026 /nfs/dbraw/zinc/02/00/26/430020026.db2.gz FUAAMPOCTFSLEH-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639908755 430020029 /nfs/dbraw/zinc/02/00/29/430020029.db2.gz FUAAMPOCTFSLEH-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N ZINC000640029486 430060487 /nfs/dbraw/zinc/06/04/87/430060487.db2.gz HEMZBRXERPJXJG-LSDHHAIUSA-N 1 2 314.385 2.655 20 30 DFEDLO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N ZINC000640029486 430060491 /nfs/dbraw/zinc/06/04/91/430060491.db2.gz HEMZBRXERPJXJG-LSDHHAIUSA-N 1 2 314.385 2.655 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cscc2C#N)CC1(C)C ZINC000560672068 430061270 /nfs/dbraw/zinc/06/12/70/430061270.db2.gz XBRHMZWMNSWVET-LBPRGKRZSA-N 1 2 300.387 2.577 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC(C)C)CC1 ZINC000533016931 430157499 /nfs/dbraw/zinc/15/74/99/430157499.db2.gz XOCHEFPJAOSFRA-QGZVFWFLSA-N 1 2 316.401 2.662 20 30 DFEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000562667207 430162835 /nfs/dbraw/zinc/16/28/35/430162835.db2.gz IRVXPIDYCQNYKJ-UHFFFAOYSA-N 1 2 305.809 2.570 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCCCO1 ZINC000562456060 430135124 /nfs/dbraw/zinc/13/51/24/430135124.db2.gz UHQHHECQZPUYNT-HNNXBMFYSA-N 1 2 312.373 2.609 20 30 DFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCCCO1 ZINC000562456060 430135131 /nfs/dbraw/zinc/13/51/31/430135131.db2.gz UHQHHECQZPUYNT-HNNXBMFYSA-N 1 2 312.373 2.609 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000564880588 430201670 /nfs/dbraw/zinc/20/16/70/430201670.db2.gz XOINKGDICVLENH-NUEKZKHPSA-N 1 2 323.400 2.501 20 30 DFEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177024598 277250350 /nfs/dbraw/zinc/25/03/50/277250350.db2.gz XEPQTPNRFVQPCZ-OAHLLOKOSA-N 1 2 324.346 2.657 20 30 DFEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177024598 277250351 /nfs/dbraw/zinc/25/03/51/277250351.db2.gz XEPQTPNRFVQPCZ-OAHLLOKOSA-N 1 2 324.346 2.657 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000543645469 430254263 /nfs/dbraw/zinc/25/42/63/430254263.db2.gz CPCZUMAHHGTLNK-LBPRGKRZSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1cccc(CC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000544054908 430270309 /nfs/dbraw/zinc/27/03/09/430270309.db2.gz VJMLWRYXRPCERI-UHFFFAOYSA-N 1 2 316.364 2.807 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000544634544 430289227 /nfs/dbraw/zinc/28/92/27/430289227.db2.gz KYJVRNSYUOEUQD-AWEZNQCLSA-N 1 2 314.776 2.713 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc3ccccc32)nn1 ZINC000641007352 430299400 /nfs/dbraw/zinc/29/94/00/430299400.db2.gz UYQIXYCEGUCFPY-UHFFFAOYSA-N 1 2 320.396 2.623 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000545294482 430312952 /nfs/dbraw/zinc/31/29/52/430312952.db2.gz KFFRREJIXOFCOI-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507420 430365374 /nfs/dbraw/zinc/36/53/74/430365374.db2.gz XEXIDBDPIQQUHH-ZIAGYGMSSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507420 430365379 /nfs/dbraw/zinc/36/53/79/430365379.db2.gz XEXIDBDPIQQUHH-ZIAGYGMSSA-N 1 2 313.401 2.529 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC#N)CC1 ZINC000568506806 430365655 /nfs/dbraw/zinc/36/56/55/430365655.db2.gz OPUVPMDNUXSMTQ-KRWDZBQOSA-N 1 2 311.385 2.788 20 30 DFEDLO C=CCCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000568882373 430402355 /nfs/dbraw/zinc/40/23/55/430402355.db2.gz YXGMRGUJIRDZIV-UHFFFAOYSA-N 1 2 304.438 2.808 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000547990708 430436545 /nfs/dbraw/zinc/43/65/45/430436545.db2.gz WOKIBLGQIFKGJT-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000547990708 430436551 /nfs/dbraw/zinc/43/65/51/430436551.db2.gz WOKIBLGQIFKGJT-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1cnccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000548163114 430452511 /nfs/dbraw/zinc/45/25/11/430452511.db2.gz MSMPHAVXIPZZAK-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000584122243 430463012 /nfs/dbraw/zinc/46/30/12/430463012.db2.gz LMBQGMJBMJBDRM-GHMZBOCLSA-N 1 2 302.403 2.905 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000584181131 430468103 /nfs/dbraw/zinc/46/81/03/430468103.db2.gz PLIGNGPZISHOMV-MNOVXSKESA-N 1 2 311.332 2.897 20 30 DFEDLO CC(C)c1cccc(O[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000570098720 430514018 /nfs/dbraw/zinc/51/40/18/430514018.db2.gz VVFSUGROZFSBMY-RDTXWAMCSA-N 1 2 317.433 2.537 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1C#N ZINC000599314688 430530005 /nfs/dbraw/zinc/53/00/05/430530005.db2.gz IEAQPKVHXRGQJT-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO N#Cc1cc(-c2ccc(NCC3CCOCC3)[nH+]c2)ccc1O ZINC000600780792 430533969 /nfs/dbraw/zinc/53/39/69/430533969.db2.gz VUECKCNZVMNYEM-UHFFFAOYSA-N 1 2 309.369 3.164 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)n1 ZINC000570370738 430536760 /nfs/dbraw/zinc/53/67/60/430536760.db2.gz CBTINFHJVPKMQU-CQSZACIVSA-N 1 2 309.398 2.811 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)n1 ZINC000570370738 430536761 /nfs/dbraw/zinc/53/67/61/430536761.db2.gz CBTINFHJVPKMQU-CQSZACIVSA-N 1 2 309.398 2.811 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)nn1 ZINC000639365563 430620978 /nfs/dbraw/zinc/62/09/78/430620978.db2.gz DURAFNOEWMNJER-ROUUACIJSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)nn1 ZINC000639365563 430620981 /nfs/dbraw/zinc/62/09/81/430620981.db2.gz DURAFNOEWMNJER-ROUUACIJSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(C2CCC2)C1=O ZINC000639458500 430644490 /nfs/dbraw/zinc/64/44/90/430644490.db2.gz OZJSEBLCYIQLNR-QGZVFWFLSA-N 1 2 302.393 2.967 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(C2CCC2)C1=O ZINC000639458500 430644493 /nfs/dbraw/zinc/64/44/93/430644493.db2.gz OZJSEBLCYIQLNR-QGZVFWFLSA-N 1 2 302.393 2.967 20 30 DFEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1ccc(CC#N)cc1 ZINC000572423911 430686782 /nfs/dbraw/zinc/68/67/82/430686782.db2.gz RGLNUACQTFIBDD-UHFFFAOYSA-N 1 2 308.385 3.349 20 30 DFEDLO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572576012 430690669 /nfs/dbraw/zinc/69/06/69/430690669.db2.gz JJRSORUESAFQRU-LJQANCHMSA-N 1 2 322.412 2.631 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651090944 430702629 /nfs/dbraw/zinc/70/26/29/430702629.db2.gz MHTPQCSPOJHDFF-UHFFFAOYSA-N 1 2 309.413 2.977 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533345 430751372 /nfs/dbraw/zinc/75/13/72/430751372.db2.gz BPJFQMGVXMWOHW-RYUDHWBXSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533345 430751378 /nfs/dbraw/zinc/75/13/78/430751378.db2.gz BPJFQMGVXMWOHW-RYUDHWBXSA-N 1 2 315.339 2.959 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648709355 430863022 /nfs/dbraw/zinc/86/30/22/430863022.db2.gz RSRJOBVQLGYXOR-SFHVURJKSA-N 1 2 315.417 2.530 20 30 DFEDLO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccn1 ZINC000665161153 430841485 /nfs/dbraw/zinc/84/14/85/430841485.db2.gz YHNXMDWDZCRCKY-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)ccn1 ZINC000665161153 430841489 /nfs/dbraw/zinc/84/14/89/430841489.db2.gz YHNXMDWDZCRCKY-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000662080322 430951861 /nfs/dbraw/zinc/95/18/61/430951861.db2.gz OOAAQWZBULHYHL-GOSISDBHSA-N 1 2 313.401 2.843 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000662080322 430951865 /nfs/dbraw/zinc/95/18/65/430951865.db2.gz OOAAQWZBULHYHL-GOSISDBHSA-N 1 2 313.401 2.843 20 30 DFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(Cl)ccc3C#N)CC2)S1 ZINC000301580893 278834916 /nfs/dbraw/zinc/83/49/16/278834916.db2.gz NOUWQEPMDBWLLM-LLVKDONJSA-N 1 2 320.849 2.825 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000649350296 431072971 /nfs/dbraw/zinc/07/29/71/431072971.db2.gz CXBULGOWSLYIPK-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000649350296 431072974 /nfs/dbraw/zinc/07/29/74/431072974.db2.gz CXBULGOWSLYIPK-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO C=CCC1(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000649506670 431128950 /nfs/dbraw/zinc/12/89/50/431128950.db2.gz TUHBZASPHXRGCF-OAHLLOKOSA-N 1 2 316.449 2.751 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnnn1-c1ccccc1 ZINC000192183135 279490671 /nfs/dbraw/zinc/49/06/71/279490671.db2.gz VSEYGAMHZMDWID-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000656457329 431393023 /nfs/dbraw/zinc/39/30/23/431393023.db2.gz LTKHDXBRVQBMEF-GOSISDBHSA-N 1 2 314.433 2.716 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)n1cc(C[N@H+](C)CCOC)nn1 ZINC000656457329 431393028 /nfs/dbraw/zinc/39/30/28/431393028.db2.gz LTKHDXBRVQBMEF-GOSISDBHSA-N 1 2 314.433 2.716 20 30 DFEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2CC(=O)c2ccco2)cc1 ZINC000660365708 431398630 /nfs/dbraw/zinc/39/86/30/431398630.db2.gz OEPSFTNEXYUEOG-KRWDZBQOSA-N 1 2 324.380 2.668 20 30 DFEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccco2)cc1 ZINC000660365708 431398636 /nfs/dbraw/zinc/39/86/36/431398636.db2.gz OEPSFTNEXYUEOG-KRWDZBQOSA-N 1 2 324.380 2.668 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nsc3ccccc23)C1=O ZINC000660463398 431444680 /nfs/dbraw/zinc/44/46/80/431444680.db2.gz CJOGNTFXLTUBRG-AWEZNQCLSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nsc3ccccc23)C1=O ZINC000660463398 431444684 /nfs/dbraw/zinc/44/46/84/431444684.db2.gz CJOGNTFXLTUBRG-AWEZNQCLSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)nn1 ZINC000653609117 431460221 /nfs/dbraw/zinc/46/02/21/431460221.db2.gz YEPMZDMDNDJQQO-CQSZACIVSA-N 1 2 303.435 2.860 20 30 DFEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)nn1 ZINC000653619240 431463245 /nfs/dbraw/zinc/46/32/45/431463245.db2.gz SSMFURJXHJBYKR-UHFFFAOYSA-N 1 2 324.432 2.766 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)nn1 ZINC000653552268 431431426 /nfs/dbraw/zinc/43/14/26/431431426.db2.gz NQNBNSCMKGDZOU-INIZCTEOSA-N 1 2 314.437 2.542 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)nn1 ZINC000653552268 431431432 /nfs/dbraw/zinc/43/14/32/431431432.db2.gz NQNBNSCMKGDZOU-INIZCTEOSA-N 1 2 314.437 2.542 20 30 DFEDLO C=C(C)CN(CC)C(=O)COc1ccc2c(c1)[nH+]c(C)n2C ZINC000664052634 431639768 /nfs/dbraw/zinc/63/97/68/431639768.db2.gz DABPEMIESLEXGL-UHFFFAOYSA-N 1 2 301.390 2.685 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CSCc3ccccc32)nn1 ZINC000657334704 431682780 /nfs/dbraw/zinc/68/27/80/431682780.db2.gz CEEHVGOJRUPEIA-INIZCTEOSA-N 1 2 300.431 2.932 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCOc3c(F)cccc32)nn1 ZINC000657428758 431745276 /nfs/dbraw/zinc/74/52/76/431745276.db2.gz AOHAFUVWYCPGMD-INIZCTEOSA-N 1 2 316.380 2.997 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)nn1 ZINC000657430469 431749128 /nfs/dbraw/zinc/74/91/28/431749128.db2.gz OMLMAAAQUWLUMV-UHFFFAOYSA-N 1 2 315.421 2.716 20 30 DFEDLO COCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150809 431753609 /nfs/dbraw/zinc/75/36/09/431753609.db2.gz RYXVBAQQEQIBNC-INIZCTEOSA-N 1 2 317.433 2.560 20 30 DFEDLO COCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661150809 431753612 /nfs/dbraw/zinc/75/36/12/431753612.db2.gz RYXVBAQQEQIBNC-INIZCTEOSA-N 1 2 317.433 2.560 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)nn1 ZINC000657443014 431755455 /nfs/dbraw/zinc/75/54/55/431755455.db2.gz WBILXMMZJOSIFT-OAHLLOKOSA-N 1 2 302.353 2.607 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000664254028 431716609 /nfs/dbraw/zinc/71/66/09/431716609.db2.gz SUBMRSWLIUQJOV-AWEZNQCLSA-N 1 2 304.463 2.822 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000664254028 431716615 /nfs/dbraw/zinc/71/66/15/431716615.db2.gz SUBMRSWLIUQJOV-AWEZNQCLSA-N 1 2 304.463 2.822 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2C)no1)[C@H](C)COC ZINC000661244724 431792349 /nfs/dbraw/zinc/79/23/49/431792349.db2.gz XRCASWCTGLDYBG-OAHLLOKOSA-N 1 2 315.417 2.992 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)[C@H](C)COC ZINC000661244724 431792356 /nfs/dbraw/zinc/79/23/56/431792356.db2.gz XRCASWCTGLDYBG-OAHLLOKOSA-N 1 2 315.417 2.992 20 30 DFEDLO C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664518499 431804966 /nfs/dbraw/zinc/80/49/66/431804966.db2.gz CHMBPSRCNIAXHY-CQSZACIVSA-N 1 2 302.422 2.704 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567506 431812263 /nfs/dbraw/zinc/81/22/63/431812263.db2.gz RUBFPFDQMUHJEG-GXTWGEPZSA-N 1 2 314.389 2.647 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205540 431777264 /nfs/dbraw/zinc/77/72/64/431777264.db2.gz KEBSWYGPZWEIRX-HZSPNIEDSA-N 1 2 302.422 2.701 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205540 431777268 /nfs/dbraw/zinc/77/72/68/431777268.db2.gz KEBSWYGPZWEIRX-HZSPNIEDSA-N 1 2 302.422 2.701 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000408029992 301078071 /nfs/dbraw/zinc/07/80/71/301078071.db2.gz DXNPDPBDNARWSS-INIZCTEOSA-N 1 2 322.416 2.611 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C#N ZINC000535964873 301265699 /nfs/dbraw/zinc/26/56/99/301265699.db2.gz TVZVVHJKRLVEDG-QGZVFWFLSA-N 1 2 324.384 2.795 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C#N ZINC000535964873 301265702 /nfs/dbraw/zinc/26/57/02/301265702.db2.gz TVZVVHJKRLVEDG-QGZVFWFLSA-N 1 2 324.384 2.795 20 30 DFEDLO Cc1cc(N2CCSC3(CCOCC3)C2)c(C#N)c(C)[nH+]1 ZINC000302261863 301340523 /nfs/dbraw/zinc/34/05/23/301340523.db2.gz PSNNBCSQYRHCHE-UHFFFAOYSA-N 1 2 303.431 2.673 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000559305088 301869445 /nfs/dbraw/zinc/86/94/45/301869445.db2.gz QQELWVFRDTWOCM-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 ZINC000563605252 302086361 /nfs/dbraw/zinc/08/63/61/302086361.db2.gz WOUCSWNAENSULZ-BBWFWOEESA-N 1 2 320.396 2.663 20 30 DFEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000566680842 302303842 /nfs/dbraw/zinc/30/38/42/302303842.db2.gz BFWQVVVOGSLJKG-UHFFFAOYSA-N 1 2 303.362 2.856 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2nc(Cl)c(C#N)s2)CC1(C)C ZINC000296355860 303010873 /nfs/dbraw/zinc/01/08/73/303010873.db2.gz RLXOPRUXBHIUBH-SECBINFHSA-N 1 2 307.810 2.989 20 30 DFEDLO CC(C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000180038366 316024258 /nfs/dbraw/zinc/02/42/58/316024258.db2.gz OPQXCMVGESYUIE-MRXNPFEDSA-N 1 2 318.417 2.893 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cscc1C#N ZINC000507290912 317693128 /nfs/dbraw/zinc/69/31/28/317693128.db2.gz ULRAZEBJSPHREN-UHFFFAOYSA-N 1 2 316.430 2.931 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000574753738 318038196 /nfs/dbraw/zinc/03/81/96/318038196.db2.gz ZFDNIBAHORGSAR-UHFFFAOYSA-N 1 2 318.336 2.845 20 30 DFEDLO CCC[N@H+](Cc1nc(C2CC2)nn1C)Cc1ccc(C#N)cc1 ZINC000574873240 318046697 /nfs/dbraw/zinc/04/66/97/318046697.db2.gz IFOOEZWEZNFEDU-UHFFFAOYSA-N 1 2 309.417 2.976 20 30 DFEDLO CCC[N@@H+](Cc1nc(C2CC2)nn1C)Cc1ccc(C#N)cc1 ZINC000574873240 318046700 /nfs/dbraw/zinc/04/67/00/318046700.db2.gz IFOOEZWEZNFEDU-UHFFFAOYSA-N 1 2 309.417 2.976 20 30 DFEDLO Cc1cc(Nc2ncncc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000577949646 318227823 /nfs/dbraw/zinc/22/78/23/318227823.db2.gz YXJNSPNMLSKYDW-CYBMUJFWSA-N 1 2 308.389 2.596 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCCc3occc3C2)c1C#N ZINC000578674005 318277915 /nfs/dbraw/zinc/27/79/15/318277915.db2.gz TXDAJTUHHRQDAH-UHFFFAOYSA-N 1 2 310.353 2.886 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCCc3occc3C2)c1C#N ZINC000578674005 318277917 /nfs/dbraw/zinc/27/79/17/318277917.db2.gz TXDAJTUHHRQDAH-UHFFFAOYSA-N 1 2 310.353 2.886 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000579232813 318316205 /nfs/dbraw/zinc/31/62/05/318316205.db2.gz FXSRDDSHTOJEEI-DOMZBBRYSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000579232813 318316206 /nfs/dbraw/zinc/31/62/06/318316206.db2.gz FXSRDDSHTOJEEI-DOMZBBRYSA-N 1 2 321.218 2.932 20 30 DFEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000579957458 318366065 /nfs/dbraw/zinc/36/60/65/318366065.db2.gz BTYYKAQGWUGTPF-ZDUSSCGKSA-N 1 2 301.302 2.537 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580092443 318375790 /nfs/dbraw/zinc/37/57/90/318375790.db2.gz GYIFHRGLGNVZOC-CQSZACIVSA-N 1 2 310.401 2.897 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580092443 318375791 /nfs/dbraw/zinc/37/57/91/318375791.db2.gz GYIFHRGLGNVZOC-CQSZACIVSA-N 1 2 310.401 2.897 20 30 DFEDLO COCC[N@H+](Cc1nccn1C(F)F)Cc1ccc(C#N)cc1 ZINC000195001463 323276704 /nfs/dbraw/zinc/27/67/04/323276704.db2.gz NTKWYRVQNGWVLK-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO COCC[N@@H+](Cc1nccn1C(F)F)Cc1ccc(C#N)cc1 ZINC000195001463 323276706 /nfs/dbraw/zinc/27/67/06/323276706.db2.gz NTKWYRVQNGWVLK-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO CN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1(C#N)CCC1 ZINC000255635088 331782139 /nfs/dbraw/zinc/78/21/39/331782139.db2.gz KBRGDEIMOKMKOV-YVMONPNESA-N 1 2 306.369 2.790 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)no1 ZINC000067099994 331893570 /nfs/dbraw/zinc/89/35/70/331893570.db2.gz DRYCCGXIUFRIAF-UHFFFAOYSA-N 1 2 308.769 2.707 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000086233910 332019410 /nfs/dbraw/zinc/01/94/10/332019410.db2.gz OZNICVLZTGZSJH-SJCJKPOMSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000086233910 332019411 /nfs/dbraw/zinc/01/94/11/332019411.db2.gz OZNICVLZTGZSJH-SJCJKPOMSA-N 1 2 301.390 2.613 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000518542584 332077671 /nfs/dbraw/zinc/07/76/71/332077671.db2.gz ZZIWTIXWARYWAY-HBFSDRIKSA-N 1 2 321.424 2.903 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000569501841 332108904 /nfs/dbraw/zinc/10/89/04/332108904.db2.gz PIONHHIQEJPVSM-QGZVFWFLSA-N 1 2 301.434 2.751 20 30 DFEDLO CCCN(CC#N)Cc1c[nH+]c2ccc(Br)cn12 ZINC000092398038 332125653 /nfs/dbraw/zinc/12/56/53/332125653.db2.gz KSQIDMCGDASJKN-UHFFFAOYSA-N 1 2 307.195 2.832 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000092732658 332130163 /nfs/dbraw/zinc/13/01/63/332130163.db2.gz IBJRWKPPXAMZOQ-UHFFFAOYSA-N 1 2 311.389 2.885 20 30 DFEDLO C=CC(C)(C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000410498845 332148671 /nfs/dbraw/zinc/14/86/71/332148671.db2.gz QFXVZRCPDRXCRY-UHFFFAOYSA-N 1 2 302.418 2.978 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000106875702 332261929 /nfs/dbraw/zinc/26/19/29/332261929.db2.gz KEGOLESWSBXHQK-ZBEGNZNMSA-N 1 2 320.462 2.561 20 30 DFEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000106875702 332261931 /nfs/dbraw/zinc/26/19/31/332261931.db2.gz KEGOLESWSBXHQK-ZBEGNZNMSA-N 1 2 320.462 2.561 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000559466387 332262109 /nfs/dbraw/zinc/26/21/09/332262109.db2.gz GXBZJVRQRSGNMF-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000559466387 332262110 /nfs/dbraw/zinc/26/21/10/332262110.db2.gz GXBZJVRQRSGNMF-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000109813905 332284174 /nfs/dbraw/zinc/28/41/74/332284174.db2.gz WUQVOZIYFBUNGQ-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000109813905 332284176 /nfs/dbraw/zinc/28/41/76/332284176.db2.gz WUQVOZIYFBUNGQ-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000559915257 332292325 /nfs/dbraw/zinc/29/23/25/332292325.db2.gz KZFGEPOFNSAWFW-COXVUDFISA-N 1 2 316.380 2.604 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000559915257 332292326 /nfs/dbraw/zinc/29/23/26/332292326.db2.gz KZFGEPOFNSAWFW-COXVUDFISA-N 1 2 316.380 2.604 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(SC2CC2)cc1 ZINC000566309220 332330634 /nfs/dbraw/zinc/33/06/34/332330634.db2.gz MKFMMRWPCHAMNH-INIZCTEOSA-N 1 2 303.431 2.515 20 30 DFEDLO COC(=O)CCCC/[NH+]=C/c1cc(Br)ccc1O ZINC000121237255 332393854 /nfs/dbraw/zinc/39/38/54/332393854.db2.gz UPINVWNDUPOTEE-OQLLNIDSSA-N 1 2 314.179 2.917 20 30 DFEDLO Cc1nc(N2CC[NH+](CC#Cc3ccccc3)CC2)sc1C ZINC000145981689 332496741 /nfs/dbraw/zinc/49/67/41/332496741.db2.gz UHEBSLGPSCQNEY-UHFFFAOYSA-N 1 2 311.454 2.934 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(COC(C)C)c1 ZINC000564736206 332566525 /nfs/dbraw/zinc/56/65/25/332566525.db2.gz NBZDIUHGYWZDOG-QGZVFWFLSA-N 1 2 317.433 2.510 20 30 DFEDLO N#C[C@@]1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC12CCCC2 ZINC000562710131 332619788 /nfs/dbraw/zinc/61/97/88/332619788.db2.gz SNZFAERAZQXTSJ-CRAIPNDOSA-N 1 2 311.385 2.535 20 30 DFEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000164035368 332976873 /nfs/dbraw/zinc/97/68/73/332976873.db2.gz NHYCVFWFBHKHJX-OAHLLOKOSA-N 1 2 316.836 2.901 20 30 DFEDLO C=CCC(F)(F)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000294131630 335117730 /nfs/dbraw/zinc/11/77/30/335117730.db2.gz QBMBXWKTHABXPE-NSHDSACASA-N 1 2 314.401 2.822 20 30 DFEDLO C=CCC(F)(F)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000294131630 335117731 /nfs/dbraw/zinc/11/77/31/335117731.db2.gz QBMBXWKTHABXPE-NSHDSACASA-N 1 2 314.401 2.822 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000171699794 333052352 /nfs/dbraw/zinc/05/23/52/333052352.db2.gz LZGOPWQPDVBFGC-LBPRGKRZSA-N 1 2 321.471 2.678 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CCS1 ZINC000171699794 333052354 /nfs/dbraw/zinc/05/23/54/333052354.db2.gz LZGOPWQPDVBFGC-LBPRGKRZSA-N 1 2 321.471 2.678 20 30 DFEDLO N#CCCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000171736568 333053349 /nfs/dbraw/zinc/05/33/49/333053349.db2.gz LPDNBZBHTCEWEZ-UHFFFAOYSA-N 1 2 315.421 2.565 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000294378934 335121476 /nfs/dbraw/zinc/12/14/76/335121476.db2.gz KVYHPHDILLNLTJ-UHFFFAOYSA-N 1 2 316.449 2.769 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000177374341 333128062 /nfs/dbraw/zinc/12/80/62/333128062.db2.gz PMRIXWKPHYZWNH-SECBINFHSA-N 1 2 311.179 2.912 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000177374341 333128064 /nfs/dbraw/zinc/12/80/64/333128064.db2.gz PMRIXWKPHYZWNH-SECBINFHSA-N 1 2 311.179 2.912 20 30 DFEDLO C=CCOCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000294670278 335124945 /nfs/dbraw/zinc/12/49/45/335124945.db2.gz RVHXKMGVCJMMEK-UHFFFAOYSA-N 1 2 301.365 2.572 20 30 DFEDLO C=CCOCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000294670278 335124947 /nfs/dbraw/zinc/12/49/47/335124947.db2.gz RVHXKMGVCJMMEK-UHFFFAOYSA-N 1 2 301.365 2.572 20 30 DFEDLO COCCn1nc(C)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1C ZINC000180322091 333160787 /nfs/dbraw/zinc/16/07/87/333160787.db2.gz GDKXQSCVWTZSAC-BQYQJAHWSA-N 1 2 324.384 2.690 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000363902943 333197158 /nfs/dbraw/zinc/19/71/58/333197158.db2.gz LKXDINIQIFKECX-CQSZACIVSA-N 1 2 301.390 2.678 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000363902943 333197159 /nfs/dbraw/zinc/19/71/59/333197159.db2.gz LKXDINIQIFKECX-CQSZACIVSA-N 1 2 301.390 2.678 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294442142 335123209 /nfs/dbraw/zinc/12/32/09/335123209.db2.gz VGRORRKTGQWMJX-IMJJTQAJSA-N 1 2 316.380 2.604 20 30 DFEDLO CCc1nnc([C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)o1 ZINC000363933227 333203666 /nfs/dbraw/zinc/20/36/66/333203666.db2.gz GWXFXKXHAURFLZ-CYBMUJFWSA-N 1 2 306.410 2.725 20 30 DFEDLO CCc1nnc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)o1 ZINC000363933227 333203668 /nfs/dbraw/zinc/20/36/68/333203668.db2.gz GWXFXKXHAURFLZ-CYBMUJFWSA-N 1 2 306.410 2.725 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186378020 333219103 /nfs/dbraw/zinc/21/91/03/333219103.db2.gz WEVBKZOFQIHDEI-QMMMGPOBSA-N 1 2 303.189 2.652 20 30 DFEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000295049539 335130138 /nfs/dbraw/zinc/13/01/38/335130138.db2.gz PKSMLBCHTROKRI-UHFFFAOYSA-N 1 2 321.302 2.797 20 30 DFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C)o2)c[nH+]1 ZINC000191257468 333278752 /nfs/dbraw/zinc/27/87/52/333278752.db2.gz CKDMUZGJPBKUIX-FNORWQNLSA-N 1 2 300.358 2.962 20 30 DFEDLO C=CCC1(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)CCC1 ZINC000364576038 333325241 /nfs/dbraw/zinc/32/52/41/333325241.db2.gz CHUFYUUPYVWLNP-UHFFFAOYSA-N 1 2 314.433 2.616 20 30 DFEDLO COc1ccccc1-c1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000364745496 333331442 /nfs/dbraw/zinc/33/14/42/333331442.db2.gz DXJWWQQDPVFAHW-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000295266097 335134310 /nfs/dbraw/zinc/13/43/10/335134310.db2.gz LGDVRFLZOSUPQI-KGLIPLIRSA-N 1 2 322.474 2.838 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000295266097 335134312 /nfs/dbraw/zinc/13/43/12/335134312.db2.gz LGDVRFLZOSUPQI-KGLIPLIRSA-N 1 2 322.474 2.838 20 30 DFEDLO C=C[C@H](CC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000365581557 333410671 /nfs/dbraw/zinc/41/06/71/333410671.db2.gz PAZPVFBOUXLXFV-JKSUJKDBSA-N 1 2 309.413 2.922 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000337610367 333455536 /nfs/dbraw/zinc/45/55/36/333455536.db2.gz UMTNPHKDDNHDLP-HNNXBMFYSA-N 1 2 317.433 2.647 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000296461673 335142245 /nfs/dbraw/zinc/14/22/45/335142245.db2.gz XMGKSPXHKPPOPA-KRWDZBQOSA-N 1 2 324.428 2.900 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000296461673 335142247 /nfs/dbraw/zinc/14/22/47/335142247.db2.gz XMGKSPXHKPPOPA-KRWDZBQOSA-N 1 2 324.428 2.900 20 30 DFEDLO CC1CC(C#N)(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000531809087 333562938 /nfs/dbraw/zinc/56/29/38/333562938.db2.gz NGXPTGPGKILKIK-YVMONPNESA-N 1 2 323.440 2.784 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411167159 333639136 /nfs/dbraw/zinc/63/91/36/333639136.db2.gz WCMITAAWWNFGBU-CQSZACIVSA-N 1 2 316.401 2.783 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)[C@@]3(C#N)C[C@H]3C)ccc2n1C1CC1 ZINC000412327512 333747579 /nfs/dbraw/zinc/74/75/79/333747579.db2.gz DBZGLAIIFVTNCF-ADLMAVQZSA-N 1 2 308.385 2.846 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414443556 333977668 /nfs/dbraw/zinc/97/76/68/333977668.db2.gz CZNPVBDKRMIVGG-UHFFFAOYSA-N 1 2 324.327 2.760 20 30 DFEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCCCC#N ZINC000271135767 334018923 /nfs/dbraw/zinc/01/89/23/334018923.db2.gz RGSKFDKPRRVIOI-AWEZNQCLSA-N 1 2 301.390 2.969 20 30 DFEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCCCC#N ZINC000271135767 334018925 /nfs/dbraw/zinc/01/89/25/334018925.db2.gz RGSKFDKPRRVIOI-AWEZNQCLSA-N 1 2 301.390 2.969 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000271937185 334029107 /nfs/dbraw/zinc/02/91/07/334029107.db2.gz PORSTZRFLCYENN-HNNXBMFYSA-N 1 2 320.396 2.985 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)sc1C ZINC000272482088 334035113 /nfs/dbraw/zinc/03/51/13/334035113.db2.gz BECTWUKPFUCAGX-LLVKDONJSA-N 1 2 306.435 2.713 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000272534107 334036648 /nfs/dbraw/zinc/03/66/48/334036648.db2.gz IURVBPRNHWMIDU-UHFFFAOYSA-N 1 2 300.318 2.862 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/C2CCC(C(=O)NC)CC2)c1 ZINC000273207310 334044440 /nfs/dbraw/zinc/04/44/40/334044440.db2.gz MQZPKMLHTBUPFZ-YBFXNURJSA-N 1 2 304.390 2.515 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000274022408 334054266 /nfs/dbraw/zinc/05/42/66/334054266.db2.gz CGXABWRKQCCBOM-UHFFFAOYSA-N 1 2 305.381 2.835 20 30 DFEDLO C#CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000274022408 334054267 /nfs/dbraw/zinc/05/42/67/334054267.db2.gz CGXABWRKQCCBOM-UHFFFAOYSA-N 1 2 305.381 2.835 20 30 DFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cscn2)c[nH+]1 ZINC000276590205 334082858 /nfs/dbraw/zinc/08/28/58/334082858.db2.gz GJZOWZOMIWGOCG-HWKANZROSA-N 1 2 303.387 2.517 20 30 DFEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cncs2)c[nH+]1 ZINC000276598748 334083299 /nfs/dbraw/zinc/08/32/99/334083299.db2.gz HUZBIZBRDGDCCD-HWKANZROSA-N 1 2 303.387 2.517 20 30 DFEDLO CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1O)C[NH+]1CCCC1 ZINC000276676106 334084715 /nfs/dbraw/zinc/08/47/15/334084715.db2.gz JZTWQCPUJBQKPJ-LICLKQGHSA-N 1 2 305.378 2.841 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)CC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000278802705 334101684 /nfs/dbraw/zinc/10/16/84/334101684.db2.gz XWHCJOVSCUYXSJ-AWEZNQCLSA-N 1 2 315.417 2.958 20 30 DFEDLO C[C@H](c1cccc(NC(=O)CC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000278802708 334101719 /nfs/dbraw/zinc/10/17/19/334101719.db2.gz XWHCJOVSCUYXSJ-CQSZACIVSA-N 1 2 315.417 2.958 20 30 DFEDLO C[NH+](C)[C@@H](CNC(=O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000278905872 334103601 /nfs/dbraw/zinc/10/36/01/334103601.db2.gz ZDIUFUYYVZRQCF-ZDUSSCGKSA-N 1 2 309.360 2.624 20 30 DFEDLO N#CCCn1cc(C[N@H+]2CCC=C(F)C2)c(-c2ccncc2)n1 ZINC000279334809 334107976 /nfs/dbraw/zinc/10/79/76/334107976.db2.gz DEOANZZFJAOLCV-UHFFFAOYSA-N 1 2 311.364 2.918 20 30 DFEDLO N#CCCn1cc(C[N@@H+]2CCC=C(F)C2)c(-c2ccncc2)n1 ZINC000279334809 334107977 /nfs/dbraw/zinc/10/79/77/334107977.db2.gz DEOANZZFJAOLCV-UHFFFAOYSA-N 1 2 311.364 2.918 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279545923 334109945 /nfs/dbraw/zinc/10/99/45/334109945.db2.gz XETPCQSLSVUCJS-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO CNC(=O)COc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000280180128 334114723 /nfs/dbraw/zinc/11/47/23/334114723.db2.gz GRKYHUPPHMWERE-KBPBESRZSA-N 1 2 301.390 2.614 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(C#N)CCCC1 ZINC000280521120 334118069 /nfs/dbraw/zinc/11/80/69/334118069.db2.gz MSKUFPLAYHCKEQ-UHFFFAOYSA-N 1 2 318.327 2.576 20 30 DFEDLO CC(C)n1nccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000280677432 334119081 /nfs/dbraw/zinc/11/90/81/334119081.db2.gz VEYVOYMNHYGGLW-LJQANCHMSA-N 1 2 323.444 2.846 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(CC#N)cc3)cn21 ZINC000340149381 334136959 /nfs/dbraw/zinc/13/69/59/334136959.db2.gz PBXUOOMXSOCIEW-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287061932 334156179 /nfs/dbraw/zinc/15/61/79/334156179.db2.gz MEJAACKMOPVKPK-SFHVURJKSA-N 1 2 314.433 2.865 20 30 DFEDLO N#CCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000292004937 334183839 /nfs/dbraw/zinc/18/38/39/334183839.db2.gz XLRNEMBKOYGCLY-UHFFFAOYSA-N 1 2 300.406 2.619 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COCc1ccccc1Cl ZINC000292254389 334186023 /nfs/dbraw/zinc/18/60/23/334186023.db2.gz RAJZMIKMPWNGBQ-HNNXBMFYSA-N 1 2 308.809 2.619 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COCc1ccccc1Cl ZINC000292254389 334186026 /nfs/dbraw/zinc/18/60/26/334186026.db2.gz RAJZMIKMPWNGBQ-HNNXBMFYSA-N 1 2 308.809 2.619 20 30 DFEDLO CC(C)N(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)C(C)C ZINC000292546904 334189190 /nfs/dbraw/zinc/18/91/90/334189190.db2.gz YFVFCAZYVGJUAA-MSOLQXFVSA-N 1 2 313.445 2.871 20 30 DFEDLO CC(C)N(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)C(C)C ZINC000292546904 334189191 /nfs/dbraw/zinc/18/91/91/334189191.db2.gz YFVFCAZYVGJUAA-MSOLQXFVSA-N 1 2 313.445 2.871 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@]3(C#N)CC34CCCC4)cn21 ZINC000294595529 334211283 /nfs/dbraw/zinc/21/12/83/334211283.db2.gz LSEVZZQDLZDCCT-GOSISDBHSA-N 1 2 308.385 2.733 20 30 DFEDLO CSC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 ZINC000340560082 334239674 /nfs/dbraw/zinc/23/96/74/334239674.db2.gz JWYHBNCQKIDSJJ-QGZVFWFLSA-N 1 2 315.486 2.982 20 30 DFEDLO CSC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 ZINC000340560082 334239675 /nfs/dbraw/zinc/23/96/75/334239675.db2.gz JWYHBNCQKIDSJJ-QGZVFWFLSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000297719052 334243690 /nfs/dbraw/zinc/24/36/90/334243690.db2.gz BIOIGBRBFZBFBW-LBPRGKRZSA-N 1 2 323.799 2.929 20 30 DFEDLO N#CCC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000299382644 334254971 /nfs/dbraw/zinc/25/49/71/334254971.db2.gz QYYJEHGSOGLITM-UHFFFAOYSA-N 1 2 314.307 2.782 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)OCC ZINC000534531053 334280605 /nfs/dbraw/zinc/28/06/05/334280605.db2.gz WPTCDYQIXIXYGH-INIZCTEOSA-N 1 2 322.474 2.764 20 30 DFEDLO CC#CC[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000119902241 334291316 /nfs/dbraw/zinc/29/13/16/334291316.db2.gz LBPMJSDTUHBRJE-CYBMUJFWSA-N 1 2 316.430 2.500 20 30 DFEDLO CCn1c(C)cc(C(=O)C[NH+]2CCC(C#N)(COC)CC2)c1C ZINC000341986849 334503045 /nfs/dbraw/zinc/50/30/45/334503045.db2.gz FYGNGOWKSGVLSW-UHFFFAOYSA-N 1 2 317.433 2.560 20 30 DFEDLO CC#CCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000342417092 334534837 /nfs/dbraw/zinc/53/48/37/334534837.db2.gz SRENKCCIKCIKEL-OAHLLOKOSA-N 1 2 310.401 2.542 20 30 DFEDLO CS[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328613794 334744790 /nfs/dbraw/zinc/74/47/90/334744790.db2.gz QPZHDQNMZLRARR-HZSPNIEDSA-N 1 2 322.478 2.938 20 30 DFEDLO Cc1ccnc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC000328885472 334763583 /nfs/dbraw/zinc/76/35/83/334763583.db2.gz ZDOVSYPNBZOWAR-UHFFFAOYSA-N 1 2 316.430 2.816 20 30 DFEDLO CCC[C@H](CC)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331032535 334834391 /nfs/dbraw/zinc/83/43/91/334834391.db2.gz VLXXXCUJEHKWMJ-KBPBESRZSA-N 1 2 307.442 2.581 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC#N)C[C@@H](C)O1 ZINC000331133627 334838224 /nfs/dbraw/zinc/83/82/24/334838224.db2.gz JXQXUENKZFAQIZ-ZIAGYGMSSA-N 1 2 316.405 2.535 20 30 DFEDLO Cc1ccc(Cl)c(NC(=O)NCC[NH+]2CCOCC2)c1C ZINC000331249302 334850953 /nfs/dbraw/zinc/85/09/53/334850953.db2.gz RTGBNMOYXSETOL-UHFFFAOYSA-N 1 2 311.813 2.615 20 30 DFEDLO Cc1cc(C)c(NC(=O)N(C)[C@H](C)c2cnn(C)c2)c(C)[nH+]1 ZINC000331338541 334854462 /nfs/dbraw/zinc/85/44/62/334854462.db2.gz RKKFMDHJVJFYOZ-CYBMUJFWSA-N 1 2 301.394 2.979 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)ccc1OC ZINC000344818988 335280907 /nfs/dbraw/zinc/28/09/07/335280907.db2.gz AROPKVWVSGZBQQ-GJZGRUSLSA-N 1 2 309.381 2.555 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)ccc1OC ZINC000344818988 335280908 /nfs/dbraw/zinc/28/09/08/335280908.db2.gz AROPKVWVSGZBQQ-GJZGRUSLSA-N 1 2 309.381 2.555 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000347708726 335518798 /nfs/dbraw/zinc/51/87/98/335518798.db2.gz SAISMFHPJGLRAL-WOSRLPQWSA-N 1 2 301.390 2.694 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc2ncccc21 ZINC000347690045 335521460 /nfs/dbraw/zinc/52/14/60/335521460.db2.gz LTTAXNFPNJHFQF-KCQAQPDRSA-N 1 2 308.385 2.844 20 30 DFEDLO C[C@@H](CCC(C)(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347951660 335541263 /nfs/dbraw/zinc/54/12/63/335541263.db2.gz XNMFKIVQZXPTAO-INIZCTEOSA-N 1 2 323.481 2.523 20 30 DFEDLO Cc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cs1 ZINC000348322626 335576851 /nfs/dbraw/zinc/57/68/51/335576851.db2.gz NYCLNKRDXDAMDS-RWSFTLGLSA-N 1 2 308.451 2.545 20 30 DFEDLO Cc1nc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cs1 ZINC000348322624 335576941 /nfs/dbraw/zinc/57/69/41/335576941.db2.gz NYCLNKRDXDAMDS-FIXISWKDSA-N 1 2 308.451 2.545 20 30 DFEDLO Cc1cc(Cl)cc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000350122238 335726601 /nfs/dbraw/zinc/72/66/01/335726601.db2.gz MBXUMPRPGHPIDB-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000329466940 335979779 /nfs/dbraw/zinc/97/97/79/335979779.db2.gz VVKOKKCFXOXYPE-AWEZNQCLSA-N 1 2 317.389 2.534 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCO[C@H](C(C)C)C3)ccc2[nH+]1 ZINC000329494456 335983941 /nfs/dbraw/zinc/98/39/41/335983941.db2.gz WSXHTUXXWRZGMF-AWEZNQCLSA-N 1 2 302.378 2.545 20 30 DFEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000329516446 335987861 /nfs/dbraw/zinc/98/78/61/335987861.db2.gz OWZPFPDALLTTRI-MELADBBJSA-N 1 2 306.410 2.666 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCc2cc(F)ccc21 ZINC000329632863 336020445 /nfs/dbraw/zinc/02/04/45/336020445.db2.gz WKDRHXQLRVVPHO-OCCSQVGLSA-N 1 2 314.364 2.597 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCc2cc(F)ccc21 ZINC000329632863 336020446 /nfs/dbraw/zinc/02/04/46/336020446.db2.gz WKDRHXQLRVVPHO-OCCSQVGLSA-N 1 2 314.364 2.597 20 30 DFEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(C2CC2)CCOCC1 ZINC000329637037 336021293 /nfs/dbraw/zinc/02/12/93/336021293.db2.gz VKZQAMBXAXRRNN-HNNXBMFYSA-N 1 2 315.417 2.824 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCCCS1)CCC2 ZINC000329673807 336037040 /nfs/dbraw/zinc/03/70/40/336037040.db2.gz VBGOMMSUBVKGKS-UONOGXRCSA-N 1 2 322.478 2.858 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329763535 336078938 /nfs/dbraw/zinc/07/89/38/336078938.db2.gz URCXKOXYCSYTAL-OLZOCXBDSA-N 1 2 308.451 2.789 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329779965 336080779 /nfs/dbraw/zinc/08/07/79/336080779.db2.gz RLNAZXISGFSFAQ-SMLCLMEVSA-N 1 2 323.481 2.568 20 30 DFEDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cnn1 ZINC000329858172 336089702 /nfs/dbraw/zinc/08/97/02/336089702.db2.gz ZWHLSBPYOQACGE-CYBMUJFWSA-N 1 2 313.405 2.599 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1(C)C ZINC000329920683 336095625 /nfs/dbraw/zinc/09/56/25/336095625.db2.gz HCCPKLUMYYOOTG-ZIAGYGMSSA-N 1 2 324.465 2.695 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1(C)C ZINC000329920683 336095626 /nfs/dbraw/zinc/09/56/26/336095626.db2.gz HCCPKLUMYYOOTG-ZIAGYGMSSA-N 1 2 324.465 2.695 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]1c1ccccc1 ZINC000329923204 336095932 /nfs/dbraw/zinc/09/59/32/336095932.db2.gz UIQIHOBSDYBOHL-GOEBONIOSA-N 1 2 310.401 2.807 20 30 DFEDLO C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329927747 336096207 /nfs/dbraw/zinc/09/62/07/336096207.db2.gz XFKIYLOCEGPJPW-QWQRMKEZSA-N 1 2 324.428 2.883 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329926387 336096257 /nfs/dbraw/zinc/09/62/57/336096257.db2.gz WEONUBURWGZCSJ-FZKCQIBNSA-N 1 2 320.437 2.638 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)[NH+]=C([O-])N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329926387 336096258 /nfs/dbraw/zinc/09/62/58/336096258.db2.gz WEONUBURWGZCSJ-FZKCQIBNSA-N 1 2 320.437 2.638 20 30 DFEDLO Cc1cccc2c1OCC[C@H]2NC(=O)N(C)Cc1[nH+]ccn1C ZINC000329945411 336098439 /nfs/dbraw/zinc/09/84/39/336098439.db2.gz FVHJNVYEZXWRLI-CQSZACIVSA-N 1 2 314.389 2.598 20 30 DFEDLO CCN1CCN(C(=O)NCC2(C)CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329976954 336101884 /nfs/dbraw/zinc/10/18/84/336101884.db2.gz ZDNBJMWTCXTEEP-AWEZNQCLSA-N 1 2 319.453 2.583 20 30 DFEDLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329989596 336103252 /nfs/dbraw/zinc/10/32/52/336103252.db2.gz VJLJCCVWVLDAEQ-QLFDAEIZSA-N 1 2 319.449 2.962 20 30 DFEDLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329989596 336103254 /nfs/dbraw/zinc/10/32/54/336103254.db2.gz VJLJCCVWVLDAEQ-QLFDAEIZSA-N 1 2 319.449 2.962 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@]2(CCCOC2)O1 ZINC000330098224 336113473 /nfs/dbraw/zinc/11/34/73/336113473.db2.gz BNYRJLYQTAWLRP-PBHICJAKSA-N 1 2 310.438 2.546 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@]2(CCCOC2)O1 ZINC000330098224 336113475 /nfs/dbraw/zinc/11/34/75/336113475.db2.gz BNYRJLYQTAWLRP-PBHICJAKSA-N 1 2 310.438 2.546 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H](C)C[C@H]1CCCO1 ZINC000330180754 336121453 /nfs/dbraw/zinc/12/14/53/336121453.db2.gz GFDBWYMDVSSUOV-VNQPRFMTSA-N 1 2 320.437 2.528 20 30 DFEDLO [O-]C(N[C@H]1CCc2cc(F)ccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330182383 336121693 /nfs/dbraw/zinc/12/16/93/336121693.db2.gz OXMAZFZFPZKRQS-HIFRSBDPSA-N 1 2 314.364 2.528 20 30 DFEDLO CSC1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330213776 336124971 /nfs/dbraw/zinc/12/49/71/336124971.db2.gz FQIPORFZWMPAIT-YPMHNXCESA-N 1 2 309.435 2.882 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330218190 336125601 /nfs/dbraw/zinc/12/56/01/336125601.db2.gz JCJCZPYBOBTXDX-AWEZNQCLSA-N 1 2 300.358 2.867 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330218190 336125603 /nfs/dbraw/zinc/12/56/03/336125603.db2.gz JCJCZPYBOBTXDX-AWEZNQCLSA-N 1 2 300.358 2.867 20 30 DFEDLO O=C(NC[C@H]1CCC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330247672 336129258 /nfs/dbraw/zinc/12/92/58/336129258.db2.gz FTQFGKMYSZXPOL-NSHDSACASA-N 1 2 312.364 2.939 20 30 DFEDLO O=C(NC[C@H]1CCC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330247672 336129260 /nfs/dbraw/zinc/12/92/60/336129260.db2.gz FTQFGKMYSZXPOL-NSHDSACASA-N 1 2 312.364 2.939 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000331507369 336138743 /nfs/dbraw/zinc/13/87/43/336138743.db2.gz FAFCWHXMNPXBJM-QWRGUYRKSA-N 1 2 300.387 2.517 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N1CCSc2ccccc21 ZINC000331823161 336149851 /nfs/dbraw/zinc/14/98/51/336149851.db2.gz YOKJIQPZGRYOHS-MJBXVCDLSA-N 1 2 315.442 2.796 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000333549645 336205390 /nfs/dbraw/zinc/20/53/90/336205390.db2.gz FKBSFOZGEOMZQI-CQDKDKBSSA-N 1 2 303.793 2.727 20 30 DFEDLO N#CCC1(O)C[NH+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000192640918 336207432 /nfs/dbraw/zinc/20/74/32/336207432.db2.gz IQYNXSFVMXBAEF-UHFFFAOYSA-N 1 2 312.335 2.988 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)CCC#N ZINC000352263224 336208354 /nfs/dbraw/zinc/20/83/54/336208354.db2.gz NJEMCALEAWSNGU-MRXNPFEDSA-N 1 2 302.418 2.999 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352449979 336219814 /nfs/dbraw/zinc/21/98/14/336219814.db2.gz PQSWBSFTSSCPAA-OAHLLOKOSA-N 1 2 319.380 2.740 20 30 DFEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467683 336220393 /nfs/dbraw/zinc/22/03/93/336220393.db2.gz MNZUQCACFHKAGU-GFCCVEGCSA-N 1 2 307.344 2.789 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000352480465 336221280 /nfs/dbraw/zinc/22/12/80/336221280.db2.gz CGOQECWTXVYIJM-LBPRGKRZSA-N 1 2 307.344 2.789 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352481151 336221402 /nfs/dbraw/zinc/22/14/02/336221402.db2.gz DFAHWHSBCHOQDJ-NSHDSACASA-N 1 2 309.772 2.995 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000352794399 336237124 /nfs/dbraw/zinc/23/71/24/336237124.db2.gz ATNSEDGFVIJYAQ-LSDHHAIUSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000352794399 336237125 /nfs/dbraw/zinc/23/71/25/336237125.db2.gz ATNSEDGFVIJYAQ-LSDHHAIUSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)o1 ZINC000352795766 336237535 /nfs/dbraw/zinc/23/75/35/336237535.db2.gz FGDYOYKNPDYIGC-UHFFFAOYSA-N 1 2 319.357 2.730 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)o1 ZINC000352795766 336237536 /nfs/dbraw/zinc/23/75/36/336237536.db2.gz FGDYOYKNPDYIGC-UHFFFAOYSA-N 1 2 319.357 2.730 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CCCC1 ZINC000352807979 336243339 /nfs/dbraw/zinc/24/33/39/336243339.db2.gz XQDQPIRBCLFYFJ-CQSZACIVSA-N 1 2 320.433 2.597 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CCCC1 ZINC000352807979 336243340 /nfs/dbraw/zinc/24/33/40/336243340.db2.gz XQDQPIRBCLFYFJ-CQSZACIVSA-N 1 2 320.433 2.597 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352901939 336375486 /nfs/dbraw/zinc/37/54/86/336375486.db2.gz LUIKYLGVFPFJND-UHFFFAOYSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352901939 336375487 /nfs/dbraw/zinc/37/54/87/336375487.db2.gz LUIKYLGVFPFJND-UHFFFAOYSA-N 1 2 306.454 2.757 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903330 336375573 /nfs/dbraw/zinc/37/55/73/336375573.db2.gz QBKRPDQICRSIKU-HNNXBMFYSA-N 1 2 304.438 2.533 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903330 336375574 /nfs/dbraw/zinc/37/55/74/336375574.db2.gz QBKRPDQICRSIKU-HNNXBMFYSA-N 1 2 304.438 2.533 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3cccc(CC#N)c3)[nH+]c2c1 ZINC000352971597 336380373 /nfs/dbraw/zinc/38/03/73/336380373.db2.gz GCWDLGIGGXBXIB-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195055378 336447422 /nfs/dbraw/zinc/44/74/22/336447422.db2.gz BVEPGMHQOXLBNG-TZMCWYRMSA-N 1 2 301.415 2.513 20 30 DFEDLO C=CCCOCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000357032217 336571178 /nfs/dbraw/zinc/57/11/78/336571178.db2.gz XTKOMTGNIJXMLP-MRXNPFEDSA-N 1 2 303.381 2.831 20 30 DFEDLO C=CCc1cc(C[NH+]2CC(n3cc(C)cn3)C2)cc(OC)c1O ZINC000361254653 336747125 /nfs/dbraw/zinc/74/71/25/336747125.db2.gz AEJAQOQJTOFZSA-UHFFFAOYSA-N 1 2 313.401 2.691 20 30 DFEDLO N#CCC1(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000362323299 336792252 /nfs/dbraw/zinc/79/22/52/336792252.db2.gz YNIWGIZOWUPPCR-UHFFFAOYSA-N 1 2 304.357 2.921 20 30 DFEDLO C=C(Cl)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000369486811 336865841 /nfs/dbraw/zinc/86/58/41/336865841.db2.gz UJPULFGQXVNMKV-ZDUSSCGKSA-N 1 2 322.771 2.700 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369567801 336867546 /nfs/dbraw/zinc/86/75/46/336867546.db2.gz GRHLOMBBVHHRHV-GJZGRUSLSA-N 1 2 320.437 2.533 20 30 DFEDLO N#CC[C@@H](CC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369857912 336873219 /nfs/dbraw/zinc/87/32/19/336873219.db2.gz UKSOBUHZHPASII-RDJZCZTQSA-N 1 2 322.412 2.649 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000371615789 336909165 /nfs/dbraw/zinc/90/91/65/336909165.db2.gz YEVPQXMGQQUKEJ-RDTXWAMCSA-N 1 2 322.412 2.878 20 30 DFEDLO CCc1cc(N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2[nH+]1 ZINC000372727917 336938339 /nfs/dbraw/zinc/93/83/39/336938339.db2.gz QEKHXECKKORMFQ-INIZCTEOSA-N 1 2 306.413 2.974 20 30 DFEDLO CCCCCCCCOCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374721571 336995859 /nfs/dbraw/zinc/99/58/59/336995859.db2.gz YSPCETUEDGAJCZ-UHFFFAOYSA-N 1 2 307.438 2.911 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000375386493 337009940 /nfs/dbraw/zinc/00/99/40/337009940.db2.gz IFCJJIGBUNGZGY-FHLIZLRMSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000375386493 337009941 /nfs/dbraw/zinc/00/99/41/337009941.db2.gz IFCJJIGBUNGZGY-FHLIZLRMSA-N 1 2 311.429 2.756 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000375635272 337015296 /nfs/dbraw/zinc/01/52/96/337015296.db2.gz OYYYUPZSYYBYAG-AWEZNQCLSA-N 1 2 302.422 2.704 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000375983382 337024517 /nfs/dbraw/zinc/02/45/17/337024517.db2.gz HKMDEOPEGISVKI-MRXNPFEDSA-N 1 2 311.385 2.642 20 30 DFEDLO N#CCCN1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000025306986 337027782 /nfs/dbraw/zinc/02/77/82/337027782.db2.gz WWDWPOFHWFHVGD-UHFFFAOYSA-N 1 2 312.442 2.841 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000376172468 337028902 /nfs/dbraw/zinc/02/89/02/337028902.db2.gz MWEUEDRXNVMNMQ-JKSUJKDBSA-N 1 2 307.397 2.580 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000376172468 337028903 /nfs/dbraw/zinc/02/89/03/337028903.db2.gz MWEUEDRXNVMNMQ-JKSUJKDBSA-N 1 2 307.397 2.580 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000376521624 337035863 /nfs/dbraw/zinc/03/58/63/337035863.db2.gz FZYMAWZPTSDVDT-HUUCEWRRSA-N 1 2 314.433 2.600 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000376812086 337041840 /nfs/dbraw/zinc/04/18/40/337041840.db2.gz UXMHBUYLXCPHIO-CQSZACIVSA-N 1 2 313.401 2.685 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378060675 337065753 /nfs/dbraw/zinc/06/57/53/337065753.db2.gz RQXJUOFUBXQLHM-MRXNPFEDSA-N 1 2 324.428 2.707 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378060675 337065754 /nfs/dbraw/zinc/06/57/54/337065754.db2.gz RQXJUOFUBXQLHM-MRXNPFEDSA-N 1 2 324.428 2.707 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378079800 337066122 /nfs/dbraw/zinc/06/61/22/337066122.db2.gz NJFQCKQBEQYWEX-LSDHHAIUSA-N 1 2 323.400 2.611 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378079800 337066123 /nfs/dbraw/zinc/06/61/23/337066123.db2.gz NJFQCKQBEQYWEX-LSDHHAIUSA-N 1 2 323.400 2.611 20 30 DFEDLO C[N@H+](CC#N)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000378302367 337069561 /nfs/dbraw/zinc/06/95/61/337069561.db2.gz XMBWKPRHNZLNAX-UHFFFAOYSA-N 1 2 304.369 2.525 20 30 DFEDLO C[N@@H+](CC#N)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000378302367 337069562 /nfs/dbraw/zinc/06/95/62/337069562.db2.gz XMBWKPRHNZLNAX-UHFFFAOYSA-N 1 2 304.369 2.525 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OCCCC#N ZINC000378346983 337070655 /nfs/dbraw/zinc/07/06/55/337070655.db2.gz UAEXTXUHGCAQSZ-IYBDPMFKSA-N 1 2 316.401 2.741 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OCCCC#N ZINC000378346983 337070656 /nfs/dbraw/zinc/07/06/56/337070656.db2.gz UAEXTXUHGCAQSZ-IYBDPMFKSA-N 1 2 316.401 2.741 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000378351238 337070785 /nfs/dbraw/zinc/07/07/85/337070785.db2.gz SBFSJDNUSPKIKY-CYBMUJFWSA-N 1 2 310.401 2.807 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378436077 337072573 /nfs/dbraw/zinc/07/25/73/337072573.db2.gz PTTKRWMAOQADSB-CQSZACIVSA-N 1 2 304.438 2.806 20 30 DFEDLO N#Cc1ccc2[nH+]cc(/C=C3/Oc4cc(O)ccc4C3=O)n2c1 ZINC000172522485 337129964 /nfs/dbraw/zinc/12/99/64/337129964.db2.gz WSRBFSIRFBUHDQ-PJQLUOCWSA-N 1 2 303.277 2.528 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)CC1CC1 ZINC000176253794 337149852 /nfs/dbraw/zinc/14/98/52/337149852.db2.gz MTWWOMMUYNJEPK-SJORKVTESA-N 1 2 303.450 2.793 20 30 DFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)CC1CC1 ZINC000176253794 337149853 /nfs/dbraw/zinc/14/98/53/337149853.db2.gz MTWWOMMUYNJEPK-SJORKVTESA-N 1 2 303.450 2.793 20 30 DFEDLO C#CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178420327 337164671 /nfs/dbraw/zinc/16/46/71/337164671.db2.gz QBVIKODWAYWQRY-QZTJIDSGSA-N 1 2 322.412 2.824 20 30 DFEDLO C=C(C)CS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000184463813 337198922 /nfs/dbraw/zinc/19/89/22/337198922.db2.gz DICRJANHOSWTDU-UHFFFAOYSA-N 1 2 302.399 2.994 20 30 DFEDLO C#CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(F)cc1 ZINC000184989481 337202176 /nfs/dbraw/zinc/20/21/76/337202176.db2.gz OVTDCWKRSGGDDT-UHFFFAOYSA-N 1 2 324.359 2.850 20 30 DFEDLO C#CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(F)cc1 ZINC000184989481 337202177 /nfs/dbraw/zinc/20/21/77/337202177.db2.gz OVTDCWKRSGGDDT-UHFFFAOYSA-N 1 2 324.359 2.850 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000582939988 337219933 /nfs/dbraw/zinc/21/99/33/337219933.db2.gz HXVJKCOMXZWORI-FQEVSTJZSA-N 1 2 321.424 2.856 20 30 DFEDLO N#C[C@@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC12CCCC2 ZINC000583125281 337240986 /nfs/dbraw/zinc/24/09/86/337240986.db2.gz BXYDUQDENHLPQS-GOSISDBHSA-N 1 2 321.384 2.739 20 30 DFEDLO C[C@]([NH2+]CC#Cc1ccccc1)(C(N)=O)c1cccc(Cl)c1 ZINC000192114471 337302906 /nfs/dbraw/zinc/30/29/06/337302906.db2.gz SNCDAEXGEHTSKF-GOSISDBHSA-N 1 2 312.800 2.682 20 30 DFEDLO C#Cc1cccc(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000103102033 337386566 /nfs/dbraw/zinc/38/65/66/337386566.db2.gz HKCVLXPVUCLXDG-UHFFFAOYSA-N 1 2 310.422 2.751 20 30 DFEDLO C#Cc1cccc(N(C)C(=O)C[N@H+]2CCc3sccc3C2)c1 ZINC000103102033 337386567 /nfs/dbraw/zinc/38/65/67/337386567.db2.gz HKCVLXPVUCLXDG-UHFFFAOYSA-N 1 2 310.422 2.751 20 30 DFEDLO CCOc1c(Br)cc(C[NH2+]CCC#N)cc1OC ZINC000035161411 337393965 /nfs/dbraw/zinc/39/39/65/337393965.db2.gz VBWUSLLYECWSFN-UHFFFAOYSA-N 1 2 313.195 2.860 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119780977 337395024 /nfs/dbraw/zinc/39/50/24/337395024.db2.gz NXHQOXJRRAGMOM-IBGZPJMESA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119780977 337395025 /nfs/dbraw/zinc/39/50/25/337395025.db2.gz NXHQOXJRRAGMOM-IBGZPJMESA-N 1 2 322.408 2.664 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078248279 337592734 /nfs/dbraw/zinc/59/27/34/337592734.db2.gz HOKQCJIRGHURQM-UHFFFAOYSA-N 1 2 321.384 2.502 20 30 DFEDLO C=CCN(CC=C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000079125008 337615513 /nfs/dbraw/zinc/61/55/13/337615513.db2.gz KWHNISLMRIJZER-UHFFFAOYSA-N 1 2 324.428 2.858 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)nn1 ZINC000424299081 337817360 /nfs/dbraw/zinc/81/73/60/337817360.db2.gz UULNOVGXICNOPO-CQSZACIVSA-N 1 2 304.394 2.930 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000424541939 337856011 /nfs/dbraw/zinc/85/60/11/337856011.db2.gz MEHZMZQRDJRJON-UHFFFAOYSA-N 1 2 316.445 2.737 20 30 DFEDLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1 ZINC000515057076 337977802 /nfs/dbraw/zinc/97/78/02/337977802.db2.gz PTYWDYHSRANASP-UHFFFAOYSA-N 1 2 313.401 2.843 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(C2CCCCC2)n1 ZINC000515303532 337985105 /nfs/dbraw/zinc/98/51/05/337985105.db2.gz GXCKYYHACFQXEI-INIZCTEOSA-N 1 2 320.462 2.764 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000428952530 338066364 /nfs/dbraw/zinc/06/63/64/338066364.db2.gz CWTADRYJXZIHSQ-CABCVRRESA-N 1 2 317.437 2.559 20 30 DFEDLO N#CCCC[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000430934523 338119183 /nfs/dbraw/zinc/11/91/83/338119183.db2.gz PDOFHLCBOWTGQM-MRXNPFEDSA-N 1 2 311.389 2.617 20 30 DFEDLO COCCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433017045 338176441 /nfs/dbraw/zinc/17/64/41/338176441.db2.gz WVTQWXHSXJEAHT-OAHLLOKOSA-N 1 2 314.389 2.783 20 30 DFEDLO CC(C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433292298 338189758 /nfs/dbraw/zinc/18/97/58/338189758.db2.gz ZIKGVOUFSWIXJW-KRWDZBQOSA-N 1 2 301.434 2.981 20 30 DFEDLO CC(C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433292298 338189759 /nfs/dbraw/zinc/18/97/59/338189759.db2.gz ZIKGVOUFSWIXJW-KRWDZBQOSA-N 1 2 301.434 2.981 20 30 DFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000433352879 338193667 /nfs/dbraw/zinc/19/36/67/338193667.db2.gz JRFTZQDRGCTLGP-QGZVFWFLSA-N 1 2 322.412 2.888 20 30 DFEDLO C=CCC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000448584543 338301719 /nfs/dbraw/zinc/30/17/19/338301719.db2.gz FJQFTIBKCUNGAX-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437465090 338311080 /nfs/dbraw/zinc/31/10/80/338311080.db2.gz DMZVGWGERCWUSB-RDJZCZTQSA-N 1 2 311.385 2.583 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000438279123 338338478 /nfs/dbraw/zinc/33/84/78/338338478.db2.gz HORIZHIMEKXUDV-SFHVURJKSA-N 1 2 313.401 2.922 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2cc(OC)cc(C)[nH+]2)cc1 ZINC000446887429 338539541 /nfs/dbraw/zinc/53/95/41/338539541.db2.gz 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/nfs/dbraw/zinc/01/93/17/339019317.db2.gz TZWDSSYXQRRLGZ-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000459710552 339043824 /nfs/dbraw/zinc/04/38/24/339043824.db2.gz QGWILCBIQCIJMK-UHFFFAOYSA-N 1 2 300.406 2.957 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286949 339229930 /nfs/dbraw/zinc/22/99/30/339229930.db2.gz BSNOKPZMQHWBIX-UAGQMJEPSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286949 339229931 /nfs/dbraw/zinc/22/99/31/339229931.db2.gz BSNOKPZMQHWBIX-UAGQMJEPSA-N 1 2 317.816 2.965 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000491495327 339864241 /nfs/dbraw/zinc/86/42/41/339864241.db2.gz IMBCYMXTCKRAJQ-HZPDHXFCSA-N 1 2 324.428 2.931 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000491726633 339876384 /nfs/dbraw/zinc/87/63/84/339876384.db2.gz KGEQGXPFCAZLTP-OAHLLOKOSA-N 1 2 302.422 2.529 20 30 DFEDLO C#C[C@@H]1COCCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491750932 339878648 /nfs/dbraw/zinc/87/86/48/339878648.db2.gz WACJWBPCWLFXIX-MRXNPFEDSA-N 1 2 322.364 2.657 20 30 DFEDLO C#C[C@H]([NH2+]Cc1c(C)nnn1CC)c1ccc(Cl)cc1F ZINC000491784575 339881356 /nfs/dbraw/zinc/88/13/56/339881356.db2.gz QVTIMULJUVCGOH-AWEZNQCLSA-N 1 2 306.772 2.863 20 30 DFEDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000492865851 339910953 /nfs/dbraw/zinc/91/09/53/339910953.db2.gz VRDWXIMMIVOBBM-KTKRTIGZSA-N 1 2 314.348 2.856 20 30 DFEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)C[C@H](C)C#N ZINC000505894389 340181127 /nfs/dbraw/zinc/18/11/27/340181127.db2.gz OAJZXLGCZXOGRT-MRXNPFEDSA-N 1 2 301.434 2.905 20 30 DFEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)C[C@H](C)C#N ZINC000505894389 340181128 /nfs/dbraw/zinc/18/11/28/340181128.db2.gz OAJZXLGCZXOGRT-MRXNPFEDSA-N 1 2 301.434 2.905 20 30 DFEDLO N#CC1(NC(=O)C[NH2+]C2(C(F)F)CCCCC2)CCCCC1 ZINC000510093884 340288423 /nfs/dbraw/zinc/28/84/23/340288423.db2.gz 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341272790 /nfs/dbraw/zinc/27/27/90/341272790.db2.gz DOUOCVZPMLYMCC-UHFFFAOYSA-N 1 2 305.385 2.811 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000245897750 341317555 /nfs/dbraw/zinc/31/75/55/341317555.db2.gz SUDXZEILKCQKTK-QWHCGFSZSA-N 1 2 319.405 2.512 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000245897750 341317556 /nfs/dbraw/zinc/31/75/56/341317556.db2.gz SUDXZEILKCQKTK-QWHCGFSZSA-N 1 2 319.405 2.512 20 30 DFEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)C(F)(F)F ZINC000565374219 341525472 /nfs/dbraw/zinc/52/54/72/341525472.db2.gz UFWLMDFTWIGXLK-VHSXEESVSA-N 1 2 316.327 2.511 20 30 DFEDLO COCCOCc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000572863869 341706938 /nfs/dbraw/zinc/70/69/38/341706938.db2.gz ISASYAUMJAGNLE-UHFFFAOYSA-N 1 2 311.385 2.923 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000331898523 534005825 /nfs/dbraw/zinc/00/58/25/534005825.db2.gz WUYFXJIVSRWEDG-DGCLKSJQSA-N 1 2 300.387 2.540 20 30 DFEDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000365567631 520213626 /nfs/dbraw/zinc/21/36/26/520213626.db2.gz CPNKMCLPBGWNIN-CQSZACIVSA-N 1 2 316.401 2.743 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1F ZINC000294620543 534709838 /nfs/dbraw/zinc/70/98/38/534709838.db2.gz YHCXCOKBBDFVQH-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1c(NCCc2cn3ccccc3[nH+]2)nc2ccccn12 ZINC000302078024 534765680 /nfs/dbraw/zinc/76/56/80/534765680.db2.gz HYKDIXFNWMAFGJ-UHFFFAOYSA-N 1 2 302.341 2.508 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000302053572 527226684 /nfs/dbraw/zinc/22/66/84/527226684.db2.gz YJDRRRGNSZPNKD-GOSISDBHSA-N 1 2 315.417 2.530 20 30 DFEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C12CCOCC2 ZINC000302227604 527847069 /nfs/dbraw/zinc/84/70/69/527847069.db2.gz ABNUYSGVIIFAIC-IAGOWNOFSA-N 1 2 315.417 2.956 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H](C)CC ZINC000181652908 535493698 /nfs/dbraw/zinc/49/36/98/535493698.db2.gz KXTGNAXIPGHUAY-BBRMVZONSA-N 1 2 304.390 2.504 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000681537151 545668178 /nfs/dbraw/zinc/66/81/78/545668178.db2.gz IQEURTHZNUTWHK-CQSZACIVSA-N 1 2 313.401 2.673 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000681537151 545668181 /nfs/dbraw/zinc/66/81/81/545668181.db2.gz IQEURTHZNUTWHK-CQSZACIVSA-N 1 2 313.401 2.673 20 30 DFEDLO COCC#CC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000681697376 545701174 /nfs/dbraw/zinc/70/11/74/545701174.db2.gz FSPXAURWYPTVHT-UHFFFAOYSA-N 1 2 308.219 2.765 20 30 DFEDLO COCC#CC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000681697376 545701176 /nfs/dbraw/zinc/70/11/76/545701176.db2.gz FSPXAURWYPTVHT-UHFFFAOYSA-N 1 2 308.219 2.765 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682360711 545828977 /nfs/dbraw/zinc/82/89/77/545828977.db2.gz OXTUNYFCZNPBMZ-PBHICJAKSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682360711 545828978 /nfs/dbraw/zinc/82/89/78/545828978.db2.gz OXTUNYFCZNPBMZ-PBHICJAKSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCCN(C)C(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000682429127 545846166 /nfs/dbraw/zinc/84/61/66/545846166.db2.gz BVGAIEAYGXORJU-UHFFFAOYSA-N 1 2 300.406 2.816 20 30 DFEDLO C=CCOc1ccccc1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000682855897 545928819 /nfs/dbraw/zinc/92/88/19/545928819.db2.gz PDVBYFQMCGMRRF-UHFFFAOYSA-N 1 2 307.357 2.839 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cn2cc(Br)ccc2n1 ZINC000683041109 545965871 /nfs/dbraw/zinc/96/58/71/545965871.db2.gz OYDGOOPVLXHSCU-UHFFFAOYSA-N 1 2 324.222 2.731 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cn2cc(Br)ccc2n1 ZINC000683041109 545965872 /nfs/dbraw/zinc/96/58/72/545965872.db2.gz OYDGOOPVLXHSCU-UHFFFAOYSA-N 1 2 324.222 2.731 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824249221 608679494 /nfs/dbraw/zinc/67/94/94/608679494.db2.gz LMROOSGXISNHNU-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824249221 608679492 /nfs/dbraw/zinc/67/94/92/608679492.db2.gz LMROOSGXISNHNU-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC000450548986 398346350 /nfs/dbraw/zinc/34/63/50/398346350.db2.gz JTSPVWITGCIHFW-OAHLLOKOSA-N 1 2 316.380 2.715 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC000450548986 398346353 /nfs/dbraw/zinc/34/63/53/398346353.db2.gz JTSPVWITGCIHFW-OAHLLOKOSA-N 1 2 316.380 2.715 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc(C#N)cnn1 ZINC000596175599 398347876 /nfs/dbraw/zinc/34/78/76/398347876.db2.gz VAFRMYKRLXYLHW-OAHLLOKOSA-N 1 2 318.384 2.675 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@H]3C#N)cn2c1 ZINC000596177687 398348329 /nfs/dbraw/zinc/34/83/29/398348329.db2.gz FHUNMCHLDXYTQC-ZFWWWQNUSA-N 1 2 311.389 2.524 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1C[C@@H]1c1ccccc1 ZINC000591964132 398364340 /nfs/dbraw/zinc/36/43/40/398364340.db2.gz AMKQSWNSJCUYOX-HUUCEWRRSA-N 1 2 318.384 2.956 20 30 DFEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081575189 398360075 /nfs/dbraw/zinc/36/00/75/398360075.db2.gz XYNGFIBNZKJQND-BVGQSLNGSA-N 1 2 305.381 2.778 20 30 DFEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081575189 398360078 /nfs/dbraw/zinc/36/00/78/398360078.db2.gz XYNGFIBNZKJQND-BVGQSLNGSA-N 1 2 305.381 2.778 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000066310720 398368232 /nfs/dbraw/zinc/36/82/32/398368232.db2.gz YPUQOXSCJGJVHW-NSHDSACASA-N 1 2 307.781 2.585 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000578140541 398370756 /nfs/dbraw/zinc/37/07/56/398370756.db2.gz MGOWZDKDVWYRLA-QWRGUYRKSA-N 1 2 311.332 2.897 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000578140540 398370901 /nfs/dbraw/zinc/37/09/01/398370901.db2.gz MGOWZDKDVWYRLA-MNOVXSKESA-N 1 2 311.332 2.897 20 30 DFEDLO Cc1nc(NC(=O)C[N@@H+]2CCC(C)(C)C2)sc1SCC#N ZINC000578204327 398371297 /nfs/dbraw/zinc/37/12/97/398371297.db2.gz OZVMWXKWSAQNQG-UHFFFAOYSA-N 1 2 324.475 2.738 20 30 DFEDLO Cc1nc(NC(=O)C[N@H+]2CCC(C)(C)C2)sc1SCC#N ZINC000578204327 398371298 /nfs/dbraw/zinc/37/12/98/398371298.db2.gz OZVMWXKWSAQNQG-UHFFFAOYSA-N 1 2 324.475 2.738 20 30 DFEDLO CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578754330 398375374 /nfs/dbraw/zinc/37/53/74/398375374.db2.gz YONJKIRXMKSSLL-INIZCTEOSA-N 1 2 323.824 2.701 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000578775667 398375879 /nfs/dbraw/zinc/37/58/79/398375879.db2.gz GJRGQBFITZNBII-BJLQDIEVSA-N 1 2 321.424 2.903 20 30 DFEDLO Cc1nc(C[NH2+]C[C@@H](C#N)CCC#N)sc1Br ZINC000579453527 398380707 /nfs/dbraw/zinc/38/07/07/398380707.db2.gz LKEFBZLLUHTYAN-SECBINFHSA-N 1 2 313.224 2.747 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCSCC2)c(C#N)c1C ZINC000089981881 185274195 /nfs/dbraw/zinc/27/41/95/185274195.db2.gz ZNJBBMHLYWVYRQ-NSHDSACASA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCSCC2)c(C#N)c1C ZINC000089981881 185274196 /nfs/dbraw/zinc/27/41/96/185274196.db2.gz ZNJBBMHLYWVYRQ-NSHDSACASA-N 1 2 307.419 2.534 20 30 DFEDLO N#Cc1cnccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000592088135 398381789 /nfs/dbraw/zinc/38/17/89/398381789.db2.gz VSMSMMXGZVGTKV-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cnccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000592088135 398381790 /nfs/dbraw/zinc/38/17/90/398381790.db2.gz VSMSMMXGZVGTKV-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592083538 398380964 /nfs/dbraw/zinc/38/09/64/398380964.db2.gz UUMVHOQMQDHVFK-GUYCJALGSA-N 1 2 309.369 2.593 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000066559398 398384774 /nfs/dbraw/zinc/38/47/74/398384774.db2.gz DBRDNSVLSCZEFO-AWEZNQCLSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000066559398 398384779 /nfs/dbraw/zinc/38/47/79/398384779.db2.gz DBRDNSVLSCZEFO-AWEZNQCLSA-N 1 2 313.850 2.558 20 30 DFEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)c(Br)c(C)[nH+]1 ZINC000596325730 398386689 /nfs/dbraw/zinc/38/66/89/398386689.db2.gz MMBIAEMJASACJR-NSHDSACASA-N 1 2 309.211 2.986 20 30 DFEDLO CC[C@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581313598 398389860 /nfs/dbraw/zinc/38/98/60/398389860.db2.gz MAQHAIJYATZKQP-GOEBONIOSA-N 1 2 305.447 2.517 20 30 DFEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000581598201 398391890 /nfs/dbraw/zinc/39/18/90/398391890.db2.gz IJECCJIKDYTBEV-CJNGLKHVSA-N 1 2 324.384 2.820 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000592152834 398392543 /nfs/dbraw/zinc/39/25/43/398392543.db2.gz FJCJHSNWORALCO-QGZVFWFLSA-N 1 2 320.820 2.979 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000592152834 398392545 /nfs/dbraw/zinc/39/25/45/398392545.db2.gz FJCJHSNWORALCO-QGZVFWFLSA-N 1 2 320.820 2.979 20 30 DFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831682 185344575 /nfs/dbraw/zinc/34/45/75/185344575.db2.gz ORAGYLXYNFHUGX-INIZCTEOSA-N 1 2 314.410 2.729 20 30 DFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831682 185344576 /nfs/dbraw/zinc/34/45/76/185344576.db2.gz ORAGYLXYNFHUGX-INIZCTEOSA-N 1 2 314.410 2.729 20 30 DFEDLO CCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000025056098 398436902 /nfs/dbraw/zinc/43/69/02/398436902.db2.gz MKEORPZPJKIVBP-UHFFFAOYSA-N 1 2 314.433 2.576 20 30 DFEDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000592525834 398442119 /nfs/dbraw/zinc/44/21/19/398442119.db2.gz VGVNXILLLBGEBB-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000592525834 398442122 /nfs/dbraw/zinc/44/21/22/398442122.db2.gz VGVNXILLLBGEBB-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO CCOC1CC(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000586764466 398454904 /nfs/dbraw/zinc/45/49/04/398454904.db2.gz DAMDYDGHKXJANU-JLAWEPINSA-N 1 2 313.445 2.511 20 30 DFEDLO CCOC1CC(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000586764466 398454907 /nfs/dbraw/zinc/45/49/07/398454907.db2.gz DAMDYDGHKXJANU-JLAWEPINSA-N 1 2 313.445 2.511 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592356 398455833 /nfs/dbraw/zinc/45/58/33/398455833.db2.gz NXLJAJKSHAHEDA-WMZOPIPTSA-N 1 2 314.433 2.519 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592356 398455836 /nfs/dbraw/zinc/45/58/36/398455836.db2.gz NXLJAJKSHAHEDA-WMZOPIPTSA-N 1 2 314.433 2.519 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000282333087 398463683 /nfs/dbraw/zinc/46/36/83/398463683.db2.gz TUOIPUYQJYFCAV-UHFFFAOYSA-N 1 2 315.421 2.629 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000280048633 398459587 /nfs/dbraw/zinc/45/95/87/398459587.db2.gz WAAGSRIERIDFPA-QGZVFWFLSA-N 1 2 322.412 2.989 20 30 DFEDLO N#CC1(CC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000596674259 398476712 /nfs/dbraw/zinc/47/67/12/398476712.db2.gz QQPSOLITHOPXBM-UHFFFAOYSA-N 1 2 310.357 2.726 20 30 DFEDLO N#Cc1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068320648 398494931 /nfs/dbraw/zinc/49/49/31/398494931.db2.gz LKNCHSHDFFYGDY-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)C[C@H]1n1cc[nH+]c1 ZINC000596766966 398496961 /nfs/dbraw/zinc/49/69/61/398496961.db2.gz NRYUSWAVURFFQC-KLHDSHLOSA-N 1 2 315.421 2.558 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000588367789 398497816 /nfs/dbraw/zinc/49/78/16/398497816.db2.gz UWFODLRPIVVZIB-UHFFFAOYSA-N 1 2 311.307 2.762 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593056232 398533061 /nfs/dbraw/zinc/53/30/61/398533061.db2.gz BZLRMCSQXRZBAU-OAHLLOKOSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593056232 398533064 /nfs/dbraw/zinc/53/30/64/398533064.db2.gz BZLRMCSQXRZBAU-OAHLLOKOSA-N 1 2 321.465 2.561 20 30 DFEDLO Cn1ncc(C(F)(F)F)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000596978752 398539707 /nfs/dbraw/zinc/53/97/07/398539707.db2.gz BTOLLZGVDYJPQL-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000596978752 398539712 /nfs/dbraw/zinc/53/97/12/398539712.db2.gz BTOLLZGVDYJPQL-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO N#Cc1cccc2c1CN(Cc1[nH+]ccn1CC(F)(F)F)C2 ZINC000593120792 398551582 /nfs/dbraw/zinc/55/15/82/398551582.db2.gz UIMZLADTPMSZCP-UHFFFAOYSA-N 1 2 306.291 2.833 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC(C)(C)CC2)c(C#N)c1C ZINC000279788143 215147173 /nfs/dbraw/zinc/14/71/73/215147173.db2.gz VGAXHBFZYMICOM-UHFFFAOYSA-N 1 2 321.446 2.924 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSC(C)(C)CC2)c(C#N)c1C ZINC000279788143 215147175 /nfs/dbraw/zinc/14/71/75/215147175.db2.gz VGAXHBFZYMICOM-UHFFFAOYSA-N 1 2 321.446 2.924 20 30 DFEDLO C[C@@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)n1cc[nH+]c1 ZINC000593149669 398558910 /nfs/dbraw/zinc/55/89/10/398558910.db2.gz AHIGVLLYDXSTNR-NSHDSACASA-N 1 2 302.765 2.676 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000589536818 398559589 /nfs/dbraw/zinc/55/95/89/398559589.db2.gz YTVXCEMNCSTLBC-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2nc3ccccc3nc2C)n1 ZINC000279805219 215163002 /nfs/dbraw/zinc/16/30/02/215163002.db2.gz XAXIOEIETWZMNC-UHFFFAOYSA-N 1 2 319.412 2.790 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2nc3ccccc3nc2C)n1 ZINC000279805219 215163004 /nfs/dbraw/zinc/16/30/04/215163004.db2.gz XAXIOEIETWZMNC-UHFFFAOYSA-N 1 2 319.412 2.790 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(CC)s2)c1 ZINC000092142784 398560739 /nfs/dbraw/zinc/56/07/39/398560739.db2.gz QYXHBVNVFRTXMA-UHFFFAOYSA-N 1 2 313.426 2.757 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc(CC)s2)c1 ZINC000092142784 398560744 /nfs/dbraw/zinc/56/07/44/398560744.db2.gz QYXHBVNVFRTXMA-UHFFFAOYSA-N 1 2 313.426 2.757 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069359804 398566385 /nfs/dbraw/zinc/56/63/85/398566385.db2.gz JIIDJQCSGMIVFU-ZDUSSCGKSA-N 1 2 317.364 2.609 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOc2ccccc2C1 ZINC000324700565 398563494 /nfs/dbraw/zinc/56/34/94/398563494.db2.gz ACMMTMSFYZPXIM-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOc2ccccc2C1 ZINC000324700565 398563499 /nfs/dbraw/zinc/56/34/99/398563499.db2.gz ACMMTMSFYZPXIM-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCC3CC3)CC2)cc1 ZINC000589680538 398569769 /nfs/dbraw/zinc/56/97/69/398569769.db2.gz OJVKGLYULCZFJZ-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000597136822 398574235 /nfs/dbraw/zinc/57/42/35/398574235.db2.gz WMDAAPOOYAXOAB-HNNXBMFYSA-N 1 2 300.406 2.911 20 30 DFEDLO C=C1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000280591157 334968630 /nfs/dbraw/zinc/96/86/30/334968630.db2.gz SZWCRNWEIYPXBN-UHFFFAOYSA-N 1 2 305.328 2.802 20 30 DFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000597165848 398580893 /nfs/dbraw/zinc/58/08/93/398580893.db2.gz MVNQHBQJUCSKQD-IAQYHMDHSA-N 1 2 314.776 2.549 20 30 DFEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000597165848 398580894 /nfs/dbraw/zinc/58/08/94/398580894.db2.gz MVNQHBQJUCSKQD-IAQYHMDHSA-N 1 2 314.776 2.549 20 30 DFEDLO COc1cc(C)c(C)cc1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000597182799 398584044 /nfs/dbraw/zinc/58/40/44/398584044.db2.gz OLMRYWYMKRVUCZ-CYBMUJFWSA-N 1 2 311.389 2.534 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597196202 398587719 /nfs/dbraw/zinc/58/77/19/398587719.db2.gz DHFACYRWBZPGAX-ZFWWWQNUSA-N 1 2 303.454 2.781 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000069876015 398587751 /nfs/dbraw/zinc/58/77/51/398587751.db2.gz FZPWYDJTCZHACE-GUYCJALGSA-N 1 2 305.397 2.700 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000069876015 398587754 /nfs/dbraw/zinc/58/77/54/398587754.db2.gz FZPWYDJTCZHACE-GUYCJALGSA-N 1 2 305.397 2.700 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ncc(C#N)cc1C)c1ccccc1 ZINC000590133087 398599252 /nfs/dbraw/zinc/59/92/52/398599252.db2.gz ORFKEODVFZDTCL-UHFFFAOYSA-N 1 2 322.412 2.908 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ncc(C#N)cc1C)c1ccccc1 ZINC000590133087 398599256 /nfs/dbraw/zinc/59/92/56/398599256.db2.gz ORFKEODVFZDTCL-UHFFFAOYSA-N 1 2 322.412 2.908 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC(C2CCCCC2)C1 ZINC000590146849 398600313 /nfs/dbraw/zinc/60/03/13/398600313.db2.gz CSHHPZPEEFDYED-UHFFFAOYSA-N 1 2 310.405 2.756 20 30 DFEDLO CCOC1(CNc2[nH+]cnc3c2cnn3CCC#N)CCCC1 ZINC000590143373 398600346 /nfs/dbraw/zinc/60/03/46/398600346.db2.gz QFDLVZHHEXYQTJ-UHFFFAOYSA-N 1 2 314.393 2.501 20 30 DFEDLO COc1ccc(C)cc1C[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154471 398601287 /nfs/dbraw/zinc/60/12/87/398601287.db2.gz HBLPPZJHEXTDLZ-AEFFLSMTSA-N 1 2 313.445 2.814 20 30 DFEDLO Cn1c2ccc(NC(=O)c3ccc(C#N)cn3)cc2[nH+]c1C1CC1 ZINC000089868801 282665440 /nfs/dbraw/zinc/66/54/40/282665440.db2.gz DSMMANLHVMGGHV-UHFFFAOYSA-N 1 2 317.352 2.970 20 30 DFEDLO COC(=O)C(C)(C)[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000092958677 398609748 /nfs/dbraw/zinc/60/97/48/398609748.db2.gz QTMQUHRCZTXJFH-CQSZACIVSA-N 1 2 315.417 2.986 20 30 DFEDLO N#CC1(CC(=O)NCCCNc2cccc[nH+]2)CCCCC1 ZINC000597265936 398610726 /nfs/dbraw/zinc/61/07/26/398610726.db2.gz NMBWENVZGMTHSY-UHFFFAOYSA-N 1 2 300.406 2.864 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590319157 398612967 /nfs/dbraw/zinc/61/29/67/398612967.db2.gz FWHXXFMWSXYQOT-HOCLYGCPSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590319157 398612971 /nfs/dbraw/zinc/61/29/71/398612971.db2.gz FWHXXFMWSXYQOT-HOCLYGCPSA-N 1 2 319.355 2.520 20 30 DFEDLO N#CC1(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000590337754 398615301 /nfs/dbraw/zinc/61/53/01/398615301.db2.gz PMKMPACNXWGIQH-UHFFFAOYSA-N 1 2 317.820 2.508 20 30 DFEDLO N#CC1(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000590337754 398615302 /nfs/dbraw/zinc/61/53/02/398615302.db2.gz PMKMPACNXWGIQH-UHFFFAOYSA-N 1 2 317.820 2.508 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593409132 398621202 /nfs/dbraw/zinc/62/12/02/398621202.db2.gz KNKGAOXDELRBLA-RBSFLKMASA-N 1 2 315.417 2.784 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCC2(C#N)CCCC2)CC1(C)C ZINC000593431826 398626479 /nfs/dbraw/zinc/62/64/79/398626479.db2.gz WIZJENTUKIJEML-CYBMUJFWSA-N 1 2 315.421 2.597 20 30 DFEDLO COCC[N@@H+](CCC#N)CCCc1nc(-c2ccccc2)no1 ZINC000072688989 398629384 /nfs/dbraw/zinc/62/93/84/398629384.db2.gz GMGSKOUXUHUJEA-UHFFFAOYSA-N 1 2 314.389 2.531 20 30 DFEDLO COCC[N@H+](CCC#N)CCCc1nc(-c2ccccc2)no1 ZINC000072688989 398629388 /nfs/dbraw/zinc/62/93/88/398629388.db2.gz GMGSKOUXUHUJEA-UHFFFAOYSA-N 1 2 314.389 2.531 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000593450284 398633069 /nfs/dbraw/zinc/63/30/69/398633069.db2.gz KSGFILSHEHRUIB-KGLIPLIRSA-N 1 2 303.381 2.581 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OCC)cc1OC ZINC000093323446 398631057 /nfs/dbraw/zinc/63/10/57/398631057.db2.gz MKGBRIGPKAWDOV-CYBMUJFWSA-N 1 2 307.390 2.643 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OCC)cc1OC ZINC000093323446 398631059 /nfs/dbraw/zinc/63/10/59/398631059.db2.gz MKGBRIGPKAWDOV-CYBMUJFWSA-N 1 2 307.390 2.643 20 30 DFEDLO C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000590587051 398635330 /nfs/dbraw/zinc/63/53/30/398635330.db2.gz VAYRWGLEHBBLEB-GXSJLCMTSA-N 1 2 307.810 2.952 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503405 186169889 /nfs/dbraw/zinc/16/98/89/186169889.db2.gz FTTJIMNSZMAPSL-LLVKDONJSA-N 1 2 300.200 2.541 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503405 186169890 /nfs/dbraw/zinc/16/98/90/186169890.db2.gz FTTJIMNSZMAPSL-LLVKDONJSA-N 1 2 300.200 2.541 20 30 DFEDLO C[C@](C#N)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000593473294 398640021 /nfs/dbraw/zinc/64/00/21/398640021.db2.gz SVMPZTOKJNWPNQ-GOSISDBHSA-N 1 2 314.433 2.741 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H](C)CC#N ZINC000597437403 398640508 /nfs/dbraw/zinc/64/05/08/398640508.db2.gz VEFMSVAGTOIATC-HIFRSBDPSA-N 1 2 310.401 2.886 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000597459041 398645341 /nfs/dbraw/zinc/64/53/41/398645341.db2.gz HHYNUSZDDNFMFC-OAHLLOKOSA-N 1 2 322.412 2.560 20 30 DFEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C1CC1 ZINC000281067191 334972231 /nfs/dbraw/zinc/97/22/31/334972231.db2.gz CZTKJLKJPQMCTP-UHFFFAOYSA-N 1 2 305.328 2.800 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281098633 334972697 /nfs/dbraw/zinc/97/26/97/334972697.db2.gz QOWBQZZHVRPHBM-XJKSGUPXSA-N 1 2 314.389 2.745 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000597603895 398667704 /nfs/dbraw/zinc/66/77/04/398667704.db2.gz BJYJYRGGIJREIZ-ZIAGYGMSSA-N 1 2 321.384 2.608 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCc2ccc(C#N)cc2)CC1(C)C ZINC000590768435 398670033 /nfs/dbraw/zinc/67/00/33/398670033.db2.gz GDWBJTMZNRLCHG-KRWDZBQOSA-N 1 2 322.412 2.834 20 30 DFEDLO N#CC1C[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000590777155 398672237 /nfs/dbraw/zinc/67/22/37/398672237.db2.gz OMQAHJFTDHZKEL-OAHLLOKOSA-N 1 2 305.381 2.611 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593707176 398675615 /nfs/dbraw/zinc/67/56/15/398675615.db2.gz CGTABBSTPKKXEN-KRWDZBQOSA-N 1 2 322.412 2.705 20 30 DFEDLO CC1(C)C[C@]1(C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597670304 398678052 /nfs/dbraw/zinc/67/80/52/398678052.db2.gz PSIRNXWTLUBHEN-KBXCAEBGSA-N 1 2 308.385 2.740 20 30 DFEDLO C[C@H](CC#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000597696594 398682020 /nfs/dbraw/zinc/68/20/20/398682020.db2.gz CUZQXHDHLQCATQ-LLVKDONJSA-N 1 2 302.765 2.692 20 30 DFEDLO N#CC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000593780316 398685899 /nfs/dbraw/zinc/68/58/99/398685899.db2.gz WNLGGEPVWKWPKE-UHFFFAOYSA-N 1 2 308.385 2.745 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)c2[nH+]ccn21 ZINC000590875766 398692430 /nfs/dbraw/zinc/69/24/30/398692430.db2.gz WMNJVFHGSLKELW-OCCSQVGLSA-N 1 2 319.368 2.797 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597797236 398697905 /nfs/dbraw/zinc/69/79/05/398697905.db2.gz WCPXKXHFANBHJB-APHBMKBZSA-N 1 2 308.385 2.615 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCCCOC)Cc1ccc(Cl)s1 ZINC000046171425 398698730 /nfs/dbraw/zinc/69/87/30/398698730.db2.gz UXVSKDUNLPWWOW-UHFFFAOYSA-N 1 2 316.854 2.542 20 30 DFEDLO C=CC[N@H+](CC(=O)NCCCOC)Cc1ccc(Cl)s1 ZINC000046171425 398698731 /nfs/dbraw/zinc/69/87/31/398698731.db2.gz UXVSKDUNLPWWOW-UHFFFAOYSA-N 1 2 316.854 2.542 20 30 DFEDLO N#Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000593897348 398701519 /nfs/dbraw/zinc/70/15/19/398701519.db2.gz XKIIOCKWKFUOIS-HDJSIYSDSA-N 1 2 321.384 2.501 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCC#N)c1ccccc1F ZINC000593950214 398706995 /nfs/dbraw/zinc/70/69/95/398706995.db2.gz FDZPQULYVRFBBF-INIZCTEOSA-N 1 2 314.364 2.849 20 30 DFEDLO N#CCCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000593966454 398709676 /nfs/dbraw/zinc/70/96/76/398709676.db2.gz JHBIEFCVBUKQFY-UHFFFAOYSA-N 1 2 301.390 2.541 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591015520 398715675 /nfs/dbraw/zinc/71/56/75/398715675.db2.gz JMNBWPQRBFKESY-HNNXBMFYSA-N 1 2 322.449 2.893 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591015520 398715678 /nfs/dbraw/zinc/71/56/78/398715678.db2.gz JMNBWPQRBFKESY-HNNXBMFYSA-N 1 2 322.449 2.893 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000591026511 398717239 /nfs/dbraw/zinc/71/72/39/398717239.db2.gz HUQMHTRPMYAEGS-PBHICJAKSA-N 1 2 320.458 2.774 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000591026511 398717240 /nfs/dbraw/zinc/71/72/40/398717240.db2.gz HUQMHTRPMYAEGS-PBHICJAKSA-N 1 2 320.458 2.774 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000597914813 398719061 /nfs/dbraw/zinc/71/90/61/398719061.db2.gz VZHCRFHLKBUOKO-HNNXBMFYSA-N 1 2 308.385 2.697 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281290001 334979459 /nfs/dbraw/zinc/97/94/59/334979459.db2.gz AFPRTCLCANJZTL-GJZGRUSLSA-N 1 2 305.422 2.938 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000594014912 398721881 /nfs/dbraw/zinc/72/18/81/398721881.db2.gz BOAITVWTXVBYHL-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000594014912 398721885 /nfs/dbraw/zinc/72/18/85/398721885.db2.gz BOAITVWTXVBYHL-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000281542487 334980677 /nfs/dbraw/zinc/98/06/77/334980677.db2.gz ZKCRCACKJHPBDF-RDJZCZTQSA-N 1 2 316.449 2.825 20 30 DFEDLO C[N@H+](CCOc1ccccc1C#N)Cc1nccn1C(F)F ZINC000131426942 283084452 /nfs/dbraw/zinc/08/44/52/283084452.db2.gz KATHSAOXLPOXHS-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1nccn1C(F)F ZINC000131426942 283084455 /nfs/dbraw/zinc/08/44/55/283084455.db2.gz KATHSAOXLPOXHS-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO Cc1csc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000594103428 398744387 /nfs/dbraw/zinc/74/43/87/398744387.db2.gz QPWMUAOFPIPXLQ-GFCCVEGCSA-N 1 2 315.402 2.935 20 30 DFEDLO Cc1csc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000594109778 398745005 /nfs/dbraw/zinc/74/50/05/398745005.db2.gz JQUQWYQGHASRPL-GFCCVEGCSA-N 1 2 315.402 2.994 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000047514620 398752296 /nfs/dbraw/zinc/75/22/96/398752296.db2.gz BTYZODSAZDUMMX-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO C=C[C@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)C(=O)OC ZINC000591377750 398754708 /nfs/dbraw/zinc/75/47/08/398754708.db2.gz FEKWIAAJOVRKIM-NHYWBVRUSA-N 1 2 304.365 2.566 20 30 DFEDLO C=CCN(CC=C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115843633 398755973 /nfs/dbraw/zinc/75/59/73/398755973.db2.gz PAMAJNUGJRATBH-HNNXBMFYSA-N 1 2 323.387 2.951 20 30 DFEDLO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000356229219 283143504 /nfs/dbraw/zinc/14/35/04/283143504.db2.gz XTVUNOQXQLTRDF-UHFFFAOYSA-N 1 2 306.291 2.789 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)c1cccc(C#N)c1 ZINC000591616680 398776702 /nfs/dbraw/zinc/77/67/02/398776702.db2.gz ZADJGXURIQQVIG-WFASDCNBSA-N 1 2 312.373 2.686 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000594291396 398779766 /nfs/dbraw/zinc/77/97/66/398779766.db2.gz XYQUUPVBIKNCDD-HNNXBMFYSA-N 1 2 310.401 2.530 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000594277796 398778256 /nfs/dbraw/zinc/77/82/56/398778256.db2.gz NLZVBYJNOFLVDP-YOEHRIQHSA-N 1 2 322.412 2.866 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC2)cc1 ZINC000594405432 398793757 /nfs/dbraw/zinc/79/37/57/398793757.db2.gz KUMGPXUIJXGGOX-OAHLLOKOSA-N 1 2 320.396 2.513 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(CC#N)c1 ZINC000049637380 398796739 /nfs/dbraw/zinc/79/67/39/398796739.db2.gz JHOSKAGFETYRTP-UHFFFAOYSA-N 1 2 318.380 2.841 20 30 DFEDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1F ZINC000594511870 398813339 /nfs/dbraw/zinc/81/33/39/398813339.db2.gz QZKTZRXTRZVKPA-IINYFYTJSA-N 1 2 315.352 2.518 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c1 ZINC000075640186 398814817 /nfs/dbraw/zinc/81/48/17/398814817.db2.gz CCNVUNPTIACYPC-HOTGVXAUSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c1 ZINC000075640186 398814819 /nfs/dbraw/zinc/81/48/19/398814819.db2.gz CCNVUNPTIACYPC-HOTGVXAUSA-N 1 2 324.384 2.752 20 30 DFEDLO CN1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000594578357 398823210 /nfs/dbraw/zinc/82/32/10/398823210.db2.gz CRIPLKMOKODMEV-AWEZNQCLSA-N 1 2 317.343 2.712 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029371 398830690 /nfs/dbraw/zinc/83/06/90/398830690.db2.gz LNIIGRUMPTZIOC-CQSZACIVSA-N 1 2 322.393 2.873 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000598606451 398840725 /nfs/dbraw/zinc/84/07/25/398840725.db2.gz GKPJJFXKFAUROZ-VXGBXAGGSA-N 1 2 311.476 2.534 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000598606451 398840726 /nfs/dbraw/zinc/84/07/26/398840726.db2.gz GKPJJFXKFAUROZ-VXGBXAGGSA-N 1 2 311.476 2.534 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000594734392 398850960 /nfs/dbraw/zinc/85/09/60/398850960.db2.gz ZKUIJBICJKWZKM-CQSZACIVSA-N 1 2 318.421 2.868 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000594734392 398850963 /nfs/dbraw/zinc/85/09/63/398850963.db2.gz ZKUIJBICJKWZKM-CQSZACIVSA-N 1 2 318.421 2.868 20 30 DFEDLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000076479469 398857557 /nfs/dbraw/zinc/85/75/57/398857557.db2.gz HDXSKZFDIATBGE-AWEZNQCLSA-N 1 2 310.376 2.976 20 30 DFEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C#N)cc1)C[C@H]2O ZINC000053144077 398863418 /nfs/dbraw/zinc/86/34/18/398863418.db2.gz PKRFOMFRWQDIRP-MRXNPFEDSA-N 1 2 324.380 2.625 20 30 DFEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]2O ZINC000053144077 398863421 /nfs/dbraw/zinc/86/34/21/398863421.db2.gz PKRFOMFRWQDIRP-MRXNPFEDSA-N 1 2 324.380 2.625 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000053144128 398863602 /nfs/dbraw/zinc/86/36/02/398863602.db2.gz VVDTZEZSQXYUEG-LBPRGKRZSA-N 1 2 320.462 2.615 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000053144128 398863604 /nfs/dbraw/zinc/86/36/04/398863604.db2.gz VVDTZEZSQXYUEG-LBPRGKRZSA-N 1 2 320.462 2.615 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000138488384 398878580 /nfs/dbraw/zinc/87/85/80/398878580.db2.gz CPBGPBZLHPEEDM-UHFFFAOYSA-N 1 2 308.809 2.596 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000138488384 398878582 /nfs/dbraw/zinc/87/85/82/398878582.db2.gz CPBGPBZLHPEEDM-UHFFFAOYSA-N 1 2 308.809 2.596 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000053896869 398883668 /nfs/dbraw/zinc/88/36/68/398883668.db2.gz UODOWOJFKHRCDD-UHFFFAOYSA-N 1 2 308.385 2.632 20 30 DFEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCCCC1 ZINC000598986141 398903982 /nfs/dbraw/zinc/90/39/82/398903982.db2.gz FVMMJHSUOVHXGZ-UHFFFAOYSA-N 1 2 313.380 2.970 20 30 DFEDLO N#CCN1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599044080 398912000 /nfs/dbraw/zinc/91/20/00/398912000.db2.gz VFWQMZSOUBCWBA-UHFFFAOYSA-N 1 2 311.345 2.543 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNc1nc(C)cc(C#N)n1 ZINC000281036536 216036974 /nfs/dbraw/zinc/03/69/74/216036974.db2.gz VAJRXNXSVBJHJL-UHFFFAOYSA-N 1 2 306.373 2.817 20 30 DFEDLO Cc1nc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)o1 ZINC000595287305 398916229 /nfs/dbraw/zinc/91/62/29/398916229.db2.gz CMPXRQJBKILYCW-UHFFFAOYSA-N 1 2 314.364 2.624 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccsc1 ZINC000599164322 398931610 /nfs/dbraw/zinc/93/16/10/398931610.db2.gz LRLJDOPMZYAHDU-WCQYABFASA-N 1 2 310.386 2.769 20 30 DFEDLO N#CC1(CNC(=O)NCCCNc2cccc[nH+]2)CCCCC1 ZINC000595516620 398955304 /nfs/dbraw/zinc/95/53/04/398955304.db2.gz JPUCWJFUJOIXJO-UHFFFAOYSA-N 1 2 315.421 2.657 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1C#N ZINC000599338419 398955904 /nfs/dbraw/zinc/95/59/04/398955904.db2.gz CNJJNOVTSFDLDZ-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CCOc1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559776 398958684 /nfs/dbraw/zinc/95/86/84/398958684.db2.gz RSZCVEVHMSQATB-UHFFFAOYSA-N 1 2 322.372 2.751 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1C#N ZINC000599364935 398964438 /nfs/dbraw/zinc/96/44/38/398964438.db2.gz PGIBXRWXZOAJFP-LJQANCHMSA-N 1 2 319.408 2.848 20 30 DFEDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1C#N ZINC000599364935 398964443 /nfs/dbraw/zinc/96/44/43/398964443.db2.gz PGIBXRWXZOAJFP-LJQANCHMSA-N 1 2 319.408 2.848 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000281387494 216266863 /nfs/dbraw/zinc/26/68/63/216266863.db2.gz MTVTVZHQFQXUOX-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000281387494 216266867 /nfs/dbraw/zinc/26/68/67/216266867.db2.gz MTVTVZHQFQXUOX-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO C#CCN(CC)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000056619842 398983198 /nfs/dbraw/zinc/98/31/98/398983198.db2.gz XLJWSHNSGOAVNT-UHFFFAOYSA-N 1 2 314.433 2.627 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)s1 ZINC000599440420 398983904 /nfs/dbraw/zinc/98/39/04/398983904.db2.gz SQUIJLSQGDCSGV-NSHDSACASA-N 1 2 315.398 2.961 20 30 DFEDLO N#Cc1cccc2c1C[N@H+]([C@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000599453525 398986516 /nfs/dbraw/zinc/98/65/16/398986516.db2.gz UACZKNSGPHBIHZ-SFHVURJKSA-N 1 2 309.413 2.807 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+]([C@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000599453525 398986518 /nfs/dbraw/zinc/98/65/18/398986518.db2.gz UACZKNSGPHBIHZ-SFHVURJKSA-N 1 2 309.413 2.807 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)CCC(C)C)C2 ZINC000164634579 398989137 /nfs/dbraw/zinc/98/91/37/398989137.db2.gz IENMVSMWSQDECU-AWEZNQCLSA-N 1 2 302.422 2.611 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC2 ZINC000164634579 398989145 /nfs/dbraw/zinc/98/91/45/398989145.db2.gz IENMVSMWSQDECU-AWEZNQCLSA-N 1 2 302.422 2.611 20 30 DFEDLO CC[N@H+](Cc1ncnn1CCF)[C@@H](C)c1ccc(C#N)cc1 ZINC000281552625 216378849 /nfs/dbraw/zinc/37/88/49/216378849.db2.gz ZCQNWMJQDXPKPV-ZDUSSCGKSA-N 1 2 301.369 2.702 20 30 DFEDLO CC[N@@H+](Cc1ncnn1CCF)[C@@H](C)c1ccc(C#N)cc1 ZINC000281552625 216378852 /nfs/dbraw/zinc/37/88/52/216378852.db2.gz ZCQNWMJQDXPKPV-ZDUSSCGKSA-N 1 2 301.369 2.702 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1F ZINC000595620377 399004497 /nfs/dbraw/zinc/00/44/97/399004497.db2.gz MQRDMAVPOGUTQP-NSHDSACASA-N 1 2 307.325 2.868 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1F ZINC000595620377 399004502 /nfs/dbraw/zinc/00/45/02/399004502.db2.gz MQRDMAVPOGUTQP-NSHDSACASA-N 1 2 307.325 2.868 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595622912 399005508 /nfs/dbraw/zinc/00/55/08/399005508.db2.gz FVCJFKKBNAWZCI-AWEZNQCLSA-N 1 2 306.431 2.606 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595622912 399005514 /nfs/dbraw/zinc/00/55/14/399005514.db2.gz FVCJFKKBNAWZCI-AWEZNQCLSA-N 1 2 306.431 2.606 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000275520325 212391032 /nfs/dbraw/zinc/39/10/32/212391032.db2.gz DVDGAZYXBAQYQH-RYUDHWBXSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000275520325 212391035 /nfs/dbraw/zinc/39/10/35/212391035.db2.gz DVDGAZYXBAQYQH-RYUDHWBXSA-N 1 2 300.362 2.842 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000595668766 399026228 /nfs/dbraw/zinc/02/62/28/399026228.db2.gz OMBGCTLGKHZNIB-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000595668766 399026233 /nfs/dbraw/zinc/02/62/33/399026233.db2.gz OMBGCTLGKHZNIB-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cscn2)c(C#N)c1C ZINC000595669603 399028197 /nfs/dbraw/zinc/02/81/97/399028197.db2.gz XAVWIPGIGCXZBO-VIFPVBQESA-N 1 2 304.375 2.514 20 30 DFEDLO CCN(CCOC)c1cccc(C[NH2+][C@H]2CCCC[C@H]2C#N)n1 ZINC000595689262 399035129 /nfs/dbraw/zinc/03/51/29/399035129.db2.gz KZBIPFJEAQUIQU-RDJZCZTQSA-N 1 2 316.449 2.726 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000595691426 399036817 /nfs/dbraw/zinc/03/68/17/399036817.db2.gz IFPUWZBNISJAKN-PGUXBMHVSA-N 1 2 307.344 2.964 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000255480104 283881942 /nfs/dbraw/zinc/88/19/42/283881942.db2.gz DAOAEWOBPBSWTM-XSRQRWQSSA-N 1 2 320.396 2.878 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595698475 399040663 /nfs/dbraw/zinc/04/06/63/399040663.db2.gz JBRCNQLLYDSQOM-ZOWXZIJZSA-N 1 2 316.361 2.594 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC000605729682 399040704 /nfs/dbraw/zinc/04/07/04/399040704.db2.gz FOQQDTPZVDRWHI-INIZCTEOSA-N 1 2 316.445 2.737 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000595698896 399042835 /nfs/dbraw/zinc/04/28/35/399042835.db2.gz LAVOSQRWWLFKFI-BBRMVZONSA-N 1 2 301.390 2.696 20 30 DFEDLO COC(=O)[C@@]1([NH2+]CCc2ccc(C#N)cc2)CC[C@@H](C)CC1 ZINC000595703718 399046115 /nfs/dbraw/zinc/04/61/15/399046115.db2.gz GUSCYQXUMIPZKM-PPUGGXLSSA-N 1 2 300.402 2.812 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000595702517 399046173 /nfs/dbraw/zinc/04/61/73/399046173.db2.gz KQPPKDWWSCUVDZ-LOWVWBTDSA-N 1 2 306.797 2.734 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000595705405 399047992 /nfs/dbraw/zinc/04/79/92/399047992.db2.gz VODSKCQEZVCYSO-UKRRQHHQSA-N 1 2 315.421 2.609 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595704910 399047414 /nfs/dbraw/zinc/04/74/14/399047414.db2.gz SCHOGSLXGFITDA-DOTOQJQBSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595704910 399047418 /nfs/dbraw/zinc/04/74/18/399047418.db2.gz SCHOGSLXGFITDA-DOTOQJQBSA-N 1 2 303.381 2.627 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000595705364 399047508 /nfs/dbraw/zinc/04/75/08/399047508.db2.gz UWRWFKNCIOFWQR-RISCZKNCSA-N 1 2 316.792 2.520 20 30 DFEDLO C[C@H](C#N)N(Cc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000595714284 399050072 /nfs/dbraw/zinc/05/00/72/399050072.db2.gz RCNFUADSMWRMII-SNVBAGLBSA-N 1 2 319.206 2.973 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000599670361 399054919 /nfs/dbraw/zinc/05/49/19/399054919.db2.gz JGIZNOBWPOMQTR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000599670361 399054924 /nfs/dbraw/zinc/05/49/24/399054924.db2.gz JGIZNOBWPOMQTR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(C#N)cc1 ZINC000057756256 399059914 /nfs/dbraw/zinc/05/99/14/399059914.db2.gz BYMXDUCYWBPDLX-UHFFFAOYSA-N 1 2 322.290 2.589 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 ZINC000092094772 193156139 /nfs/dbraw/zinc/15/61/39/193156139.db2.gz PVEUQEPWCOVSRN-BZNIZROVSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 ZINC000092094772 193156140 /nfs/dbraw/zinc/15/61/40/193156140.db2.gz PVEUQEPWCOVSRN-BZNIZROVSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000305171059 284038746 /nfs/dbraw/zinc/03/87/46/284038746.db2.gz UIAHUWZHPNJRHW-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595815130 399095332 /nfs/dbraw/zinc/09/53/32/399095332.db2.gz LPZFPQZHSIKYTC-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595815130 399095339 /nfs/dbraw/zinc/09/53/39/399095339.db2.gz LPZFPQZHSIKYTC-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C#N ZINC000595817280 399096456 /nfs/dbraw/zinc/09/64/56/399096456.db2.gz IYFSBXXFJKTWRD-LLVKDONJSA-N 1 2 304.781 2.774 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C#N ZINC000595817280 399096462 /nfs/dbraw/zinc/09/64/62/399096462.db2.gz IYFSBXXFJKTWRD-LLVKDONJSA-N 1 2 304.781 2.774 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826485 399099687 /nfs/dbraw/zinc/09/96/87/399099687.db2.gz CWHLEJXUTSLFTN-JSGCOSHPSA-N 1 2 321.218 2.789 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826485 399099683 /nfs/dbraw/zinc/09/96/83/399099683.db2.gz CWHLEJXUTSLFTN-JSGCOSHPSA-N 1 2 321.218 2.789 20 30 DFEDLO C=CC[N@H+](Cc1cccc2ccoc21)[C@@H]1CCS(=O)(=O)C1 ZINC000563779992 335006349 /nfs/dbraw/zinc/00/63/49/335006349.db2.gz IWQDDEWVPXVAQJ-OAHLLOKOSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCS(=O)(=O)C1 ZINC000563779992 335006350 /nfs/dbraw/zinc/00/63/50/335006350.db2.gz IWQDDEWVPXVAQJ-OAHLLOKOSA-N 1 2 305.399 2.608 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827278 399101227 /nfs/dbraw/zinc/10/12/27/399101227.db2.gz BXZWJSCXVMFTJS-OAHLLOKOSA-N 1 2 301.386 2.574 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840931 399108031 /nfs/dbraw/zinc/10/80/31/399108031.db2.gz RKDMWZOUEYCTIB-KHYOSLBOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840931 399108037 /nfs/dbraw/zinc/10/80/37/399108037.db2.gz RKDMWZOUEYCTIB-KHYOSLBOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000595839590 399107584 /nfs/dbraw/zinc/10/75/84/399107584.db2.gz JUKNIZUFIUVZSA-AWEZNQCLSA-N 1 2 319.206 2.832 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000595842633 399109978 /nfs/dbraw/zinc/10/99/78/399109978.db2.gz GHJHWNLFUCKGRS-OAHLLOKOSA-N 1 2 301.781 2.656 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000595842633 399109982 /nfs/dbraw/zinc/10/99/82/399109982.db2.gz GHJHWNLFUCKGRS-OAHLLOKOSA-N 1 2 301.781 2.656 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1C#N ZINC000595846180 399112335 /nfs/dbraw/zinc/11/23/35/399112335.db2.gz WHHWZYUZMASBQX-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1C#N ZINC000595846180 399112340 /nfs/dbraw/zinc/11/23/40/399112340.db2.gz WHHWZYUZMASBQX-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340193609 284157690 /nfs/dbraw/zinc/15/76/90/284157690.db2.gz ZSVQZIGXRHLNCU-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340193609 284157693 /nfs/dbraw/zinc/15/76/93/284157693.db2.gz ZSVQZIGXRHLNCU-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362419 193237830 /nfs/dbraw/zinc/23/78/30/193237830.db2.gz MQKBSUGKHMIBGX-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362419 193237832 /nfs/dbraw/zinc/23/78/32/193237832.db2.gz MQKBSUGKHMIBGX-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1nc(-c2cccnc2)no1 ZINC000093382877 193240868 /nfs/dbraw/zinc/24/08/68/193240868.db2.gz ALZAEEJLCGFKLG-UHFFFAOYSA-N 1 2 311.370 2.697 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1nc(-c2cccnc2)no1 ZINC000093382877 193240870 /nfs/dbraw/zinc/24/08/70/193240870.db2.gz ALZAEEJLCGFKLG-UHFFFAOYSA-N 1 2 311.370 2.697 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385507 193242188 /nfs/dbraw/zinc/24/21/88/193242188.db2.gz VZNLIIOFBWWVIM-INIZCTEOSA-N 1 2 313.332 2.528 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385507 193242190 /nfs/dbraw/zinc/24/21/90/193242190.db2.gz VZNLIIOFBWWVIM-INIZCTEOSA-N 1 2 313.332 2.528 20 30 DFEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc([S@@](C)=O)cc1 ZINC000093713145 193296760 /nfs/dbraw/zinc/29/67/60/193296760.db2.gz RZGGICUUULSYSJ-FQEVSTJZSA-N 1 2 304.440 2.989 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc([S@@](C)=O)cc1 ZINC000093713145 193296762 /nfs/dbraw/zinc/29/67/62/193296762.db2.gz RZGGICUUULSYSJ-FQEVSTJZSA-N 1 2 304.440 2.989 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595913483 399133154 /nfs/dbraw/zinc/13/31/54/399133154.db2.gz DWEFRLUDPGJEBZ-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595913483 399133159 /nfs/dbraw/zinc/13/31/59/399133159.db2.gz DWEFRLUDPGJEBZ-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000181708856 399141104 /nfs/dbraw/zinc/14/11/04/399141104.db2.gz VQPDAORHWQVGES-RXMQYKEDSA-N 1 2 319.167 2.726 20 30 DFEDLO O[C@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000181708856 399141108 /nfs/dbraw/zinc/14/11/08/399141108.db2.gz VQPDAORHWQVGES-RXMQYKEDSA-N 1 2 319.167 2.726 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000264455428 203936695 /nfs/dbraw/zinc/93/66/95/203936695.db2.gz IYEODHVXRHRDJI-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO C[C@H](C#N)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000182757882 399149143 /nfs/dbraw/zinc/14/91/43/399149143.db2.gz OLEGSFXRDHUBQL-COXVUDFISA-N 1 2 323.400 2.571 20 30 DFEDLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000080442529 399149328 /nfs/dbraw/zinc/14/93/28/399149328.db2.gz RYINFSNEIPRJCO-UHFFFAOYSA-N 1 2 321.315 2.839 20 30 DFEDLO C=CCCC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000183444693 399153961 /nfs/dbraw/zinc/15/39/61/399153961.db2.gz UYTXHZCVEDSWTL-GFCCVEGCSA-N 1 2 309.377 2.762 20 30 DFEDLO C[C@H](C#N)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000183838928 399155248 /nfs/dbraw/zinc/15/52/48/399155248.db2.gz ZTWDXFREBJPCRH-LLVKDONJSA-N 1 2 319.206 2.884 20 30 DFEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)n1 ZINC000184236340 399157259 /nfs/dbraw/zinc/15/72/59/399157259.db2.gz XNKRHSUGQKRKBK-LLVKDONJSA-N 1 2 300.387 2.613 20 30 DFEDLO Cn1cc([C@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)cn1 ZINC000614171539 399169094 /nfs/dbraw/zinc/16/90/94/399169094.db2.gz PZIZEBBJCZMNCN-GOSISDBHSA-N 1 2 324.428 2.795 20 30 DFEDLO Cn1cc([C@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)cn1 ZINC000614171539 399169097 /nfs/dbraw/zinc/16/90/97/399169097.db2.gz PZIZEBBJCZMNCN-GOSISDBHSA-N 1 2 324.428 2.795 20 30 DFEDLO N#CC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000596095924 399172026 /nfs/dbraw/zinc/17/20/26/399172026.db2.gz VNLZDSJUBQECTG-UHFFFAOYSA-N 1 2 311.389 2.608 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000596158321 399195886 /nfs/dbraw/zinc/19/58/86/399195886.db2.gz CIHMVIYQTQLFPA-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000596158321 399195890 /nfs/dbraw/zinc/19/58/90/399195890.db2.gz CIHMVIYQTQLFPA-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO CC[N@@H+](CCC#N)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000081039544 399207074 /nfs/dbraw/zinc/20/70/74/399207074.db2.gz VQWAYXQBHYQPQD-UHFFFAOYSA-N 1 2 300.358 2.716 20 30 DFEDLO CC[N@H+](CCC#N)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000081039544 399207076 /nfs/dbraw/zinc/20/70/76/399207076.db2.gz VQWAYXQBHYQPQD-UHFFFAOYSA-N 1 2 300.358 2.716 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000618670513 399205659 /nfs/dbraw/zinc/20/56/59/399205659.db2.gz ROLSGHSYOPVJDZ-OAHLLOKOSA-N 1 2 310.401 2.760 20 30 DFEDLO N#CC1(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000601027439 399205716 /nfs/dbraw/zinc/20/57/16/399205716.db2.gz XUNWPNOJEFEIMS-UHFFFAOYSA-N 1 2 308.385 2.757 20 30 DFEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285240534 335022413 /nfs/dbraw/zinc/02/24/13/335022413.db2.gz LHELMJRRFGWTPG-OAHLLOKOSA-N 1 2 320.437 2.543 20 30 DFEDLO C#CC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000192230451 335023948 /nfs/dbraw/zinc/02/39/48/335023948.db2.gz XBPOOYSHBGEEPV-UHFFFAOYSA-N 1 2 312.192 2.626 20 30 DFEDLO C#CC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000192230451 335023950 /nfs/dbraw/zinc/02/39/50/335023950.db2.gz XBPOOYSHBGEEPV-UHFFFAOYSA-N 1 2 312.192 2.626 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608436149 399263699 /nfs/dbraw/zinc/26/36/99/399263699.db2.gz HDQKHYMHJLCRPH-GOEBONIOSA-N 1 2 312.417 2.968 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000267895238 206324799 /nfs/dbraw/zinc/32/47/99/206324799.db2.gz TZDNRARNFCIYIN-CYBMUJFWSA-N 1 2 304.390 2.705 20 30 DFEDLO N#CCCN1CC[NH+]([C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000601316644 399276399 /nfs/dbraw/zinc/27/63/99/399276399.db2.gz OLYXFHOQDYKCFR-INIZCTEOSA-N 1 2 307.800 2.998 20 30 DFEDLO N#CCCN1CC[NH+]([C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000601316793 399276571 /nfs/dbraw/zinc/27/65/71/399276571.db2.gz PKRBSXDLQDQFHS-CQSZACIVSA-N 1 2 307.800 2.998 20 30 DFEDLO C[C@@H](c1cc(-c2ccccc2)n(C)n1)[NH+]1CCN(CCC#N)CC1 ZINC000601316584 399276607 /nfs/dbraw/zinc/27/66/07/399276607.db2.gz MVDJTLZTCFLULM-INIZCTEOSA-N 1 2 323.444 2.679 20 30 DFEDLO N#Cc1ccc(OC(F)F)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000609066423 399302919 /nfs/dbraw/zinc/30/29/19/399302919.db2.gz BOFKEKDGBNGUAS-UHFFFAOYSA-N 1 2 320.299 2.775 20 30 DFEDLO N#C[C@@H]1N(Cc2c[nH+]c3ccccn23)CCC[C@@]12CCCCO2 ZINC000619196542 399312289 /nfs/dbraw/zinc/31/22/89/399312289.db2.gz IJZXFIKFNNRAFT-WMZOPIPTSA-N 1 2 310.401 2.762 20 30 DFEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@@H]1C ZINC000615234649 399315192 /nfs/dbraw/zinc/31/51/92/399315192.db2.gz KKUMPVNLMWFRPL-IFXJQAMLSA-N 1 2 324.428 2.909 20 30 DFEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@@H]1C ZINC000615234649 399315194 /nfs/dbraw/zinc/31/51/94/399315194.db2.gz KKUMPVNLMWFRPL-IFXJQAMLSA-N 1 2 324.428 2.909 20 30 DFEDLO N#CCCn1cc(C[NH2+]Cc2cocn2)c(-c2ccccc2)n1 ZINC000609600798 399325914 /nfs/dbraw/zinc/32/59/14/399325914.db2.gz VMKJESOXONEKLO-UHFFFAOYSA-N 1 2 307.357 2.742 20 30 DFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000609675910 399329684 /nfs/dbraw/zinc/32/96/84/399329684.db2.gz XRAQUVZQWHPYQK-HWPZZCPQSA-N 1 2 315.323 2.714 20 30 DFEDLO Cc1cc(N2CCN(c3cccnc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000274161277 211391258 /nfs/dbraw/zinc/39/12/58/211391258.db2.gz ZJVQABDQBPBIEC-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO COC(=O)c1ccc(C[NH2+][C@H](C)CC#N)c(Br)c1 ZINC000615464568 399340786 /nfs/dbraw/zinc/34/07/86/399340786.db2.gz BSEWQUPUWZVCSZ-SECBINFHSA-N 1 2 311.179 2.627 20 30 DFEDLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000601817685 399342375 /nfs/dbraw/zinc/34/23/75/399342375.db2.gz JYAMQCUFNJPZGE-SJLPKXTDSA-N 1 2 322.412 2.625 20 30 DFEDLO C=CCCO[C@H](C)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000273935970 211190362 /nfs/dbraw/zinc/19/03/62/211190362.db2.gz RRLVQQXDUBOSFZ-GFCCVEGCSA-N 1 2 311.345 2.971 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000610279884 399353275 /nfs/dbraw/zinc/35/32/75/399353275.db2.gz FVSNNVVTSZMMGS-HOCLYGCPSA-N 1 2 318.384 2.783 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)oc1C ZINC000619551367 399360955 /nfs/dbraw/zinc/36/09/55/399360955.db2.gz CQYVEOPXEWNBTI-UHFFFAOYSA-N 1 2 322.368 2.802 20 30 DFEDLO COCC[N@@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000610391794 399363131 /nfs/dbraw/zinc/36/31/31/399363131.db2.gz RLNDODWGVHPUGA-UHFFFAOYSA-N 1 2 316.323 2.946 20 30 DFEDLO COCC[N@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000610391794 399363133 /nfs/dbraw/zinc/36/31/33/399363133.db2.gz RLNDODWGVHPUGA-UHFFFAOYSA-N 1 2 316.323 2.946 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3sccc3C#N)[nH+]c12 ZINC000610434734 399367619 /nfs/dbraw/zinc/36/76/19/399367619.db2.gz JLAQIADMZWNECR-UHFFFAOYSA-N 1 2 310.382 2.548 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000619674432 399374646 /nfs/dbraw/zinc/37/46/46/399374646.db2.gz NDIONDZXQYRQOP-UHFFFAOYSA-N 1 2 322.364 2.869 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000619674432 399374648 /nfs/dbraw/zinc/37/46/48/399374648.db2.gz NDIONDZXQYRQOP-UHFFFAOYSA-N 1 2 322.364 2.869 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000610504976 399374655 /nfs/dbraw/zinc/37/46/55/399374655.db2.gz PCGSUDOPEROXSF-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000610504976 399374658 /nfs/dbraw/zinc/37/46/58/399374658.db2.gz PCGSUDOPEROXSF-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000610504232 399374792 /nfs/dbraw/zinc/37/47/92/399374792.db2.gz CPYQBIFLGNRWSG-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000610504232 399374795 /nfs/dbraw/zinc/37/47/95/399374795.db2.gz CPYQBIFLGNRWSG-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000619719218 399382135 /nfs/dbraw/zinc/38/21/35/399382135.db2.gz MXYDTVXJZWDVSF-YOEHRIQHSA-N 1 2 314.429 2.630 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000602009829 399383152 /nfs/dbraw/zinc/38/31/52/399383152.db2.gz XOXSBWBYZTZXRB-SFHVURJKSA-N 1 2 323.371 2.588 20 30 DFEDLO CCOc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc1 ZINC000619722990 399383249 /nfs/dbraw/zinc/38/32/49/399383249.db2.gz ADLASVHXZKOALP-UHFFFAOYSA-N 1 2 322.412 2.933 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000287468885 335043951 /nfs/dbraw/zinc/04/39/51/335043951.db2.gz HLHMAKQCVUSBBA-UHFFFAOYSA-N 1 2 322.412 2.729 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000602028491 399387487 /nfs/dbraw/zinc/38/74/87/399387487.db2.gz NLYNOXUZEXLEMC-UHFFFAOYSA-N 1 2 310.376 2.982 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610668005 399390581 /nfs/dbraw/zinc/39/05/81/399390581.db2.gz ZPHAKDOMAPXXTD-GFCCVEGCSA-N 1 2 316.311 2.510 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610668006 399390486 /nfs/dbraw/zinc/39/04/86/399390486.db2.gz ZPHAKDOMAPXXTD-LBPRGKRZSA-N 1 2 316.311 2.510 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000109815055 194290125 /nfs/dbraw/zinc/29/01/25/194290125.db2.gz XKOMDQRDEMDBEK-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000109815055 194290127 /nfs/dbraw/zinc/29/01/27/194290127.db2.gz XKOMDQRDEMDBEK-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO CC(C)C[C@@H](C(=O)NCc1ccc(C#N)cc1F)n1cc[nH+]c1 ZINC000602094172 399394118 /nfs/dbraw/zinc/39/41/18/399394118.db2.gz MPOPSCVTXXYQDT-INIZCTEOSA-N 1 2 314.364 2.797 20 30 DFEDLO CCc1oc(C[NH2+]Cc2ccc(C#N)cc2F)cc1C(=O)OC ZINC000619844794 399396084 /nfs/dbraw/zinc/39/60/84/399396084.db2.gz VVXVLEDUYVILQD-UHFFFAOYSA-N 1 2 316.332 2.929 20 30 DFEDLO C=CC(C)(C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000623471782 399396987 /nfs/dbraw/zinc/39/69/87/399396987.db2.gz SLNORKOJPLOJMO-UHFFFAOYSA-N 1 2 316.449 2.952 20 30 DFEDLO CC(C)C[C@H](C(=O)N1CCc2ccc(C#N)cc21)n1cc[nH+]c1 ZINC000602128059 399398704 /nfs/dbraw/zinc/39/87/04/399398704.db2.gz YIEDNPIJFAXQNK-QGZVFWFLSA-N 1 2 308.385 2.931 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602136168 399400223 /nfs/dbraw/zinc/40/02/23/399400223.db2.gz QPDCEOGZSZVRBI-YPMHNXCESA-N 1 2 314.311 2.529 20 30 DFEDLO C[C@H](C#N)CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000602125332 399398974 /nfs/dbraw/zinc/39/89/74/399398974.db2.gz IOLPFWPVSYBGBM-PWSUYJOCSA-N 1 2 314.311 2.527 20 30 DFEDLO C[C@@H](CC#N)N(C)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000610728919 399399010 /nfs/dbraw/zinc/39/90/10/399399010.db2.gz XSWUEZMJIZGSDQ-JTQLQIEISA-N 1 2 307.195 2.831 20 30 DFEDLO CC(C)C[C@H](C(=O)NCc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000602167571 399404283 /nfs/dbraw/zinc/40/42/83/399404283.db2.gz SRTDVPVVBLRXHO-QGZVFWFLSA-N 1 2 310.401 2.853 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)sn1 ZINC000616009476 399411457 /nfs/dbraw/zinc/41/14/57/399411457.db2.gz WLHVWRVNFXEMIW-KRWDZBQOSA-N 1 2 312.442 2.834 20 30 DFEDLO Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)c(C)c[nH+]1 ZINC000610966343 399422394 /nfs/dbraw/zinc/42/23/94/399422394.db2.gz BEQDNFFECIIVOX-UHFFFAOYSA-N 1 2 304.353 2.851 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)c3ccccc3C#N)[nH+]c12 ZINC000611072047 399431815 /nfs/dbraw/zinc/43/18/15/399431815.db2.gz ORHMHYXIKMVYKM-UHFFFAOYSA-N 1 2 304.353 2.720 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccn1 ZINC000611074397 399432276 /nfs/dbraw/zinc/43/22/76/399432276.db2.gz MVWXQBWHIGWDRO-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccn1 ZINC000611074397 399432277 /nfs/dbraw/zinc/43/22/77/399432277.db2.gz MVWXQBWHIGWDRO-IBGZPJMESA-N 1 2 305.381 2.627 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179830 399443063 /nfs/dbraw/zinc/44/30/63/399443063.db2.gz KZNXDHKSCPJESE-KOLCDFICSA-N 1 2 311.332 2.682 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611179830 399443065 /nfs/dbraw/zinc/44/30/65/399443065.db2.gz KZNXDHKSCPJESE-KOLCDFICSA-N 1 2 311.332 2.682 20 30 DFEDLO CC[C@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)OC ZINC000602429896 399441542 /nfs/dbraw/zinc/44/15/42/399441542.db2.gz ZODPPJIQVXQDOG-ZWKOTPCHSA-N 1 2 301.434 2.511 20 30 DFEDLO CC[C@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)OC ZINC000602429896 399441544 /nfs/dbraw/zinc/44/15/44/399441544.db2.gz ZODPPJIQVXQDOG-ZWKOTPCHSA-N 1 2 301.434 2.511 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000620169361 399450956 /nfs/dbraw/zinc/45/09/56/399450956.db2.gz QKIUBDTUSCHZSQ-CYBMUJFWSA-N 1 2 323.462 2.906 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000620169361 399450957 /nfs/dbraw/zinc/45/09/57/399450957.db2.gz QKIUBDTUSCHZSQ-CYBMUJFWSA-N 1 2 323.462 2.906 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000611430550 399475562 /nfs/dbraw/zinc/47/55/62/399475562.db2.gz FGYOEXAMXFOTFY-MRXNPFEDSA-N 1 2 312.417 2.966 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000611430550 399475564 /nfs/dbraw/zinc/47/55/64/399475564.db2.gz FGYOEXAMXFOTFY-MRXNPFEDSA-N 1 2 312.417 2.966 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000611431879 399476273 /nfs/dbraw/zinc/47/62/73/399476273.db2.gz FKYVFIWDRMTEOJ-GOSISDBHSA-N 1 2 315.848 2.857 20 30 DFEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1Br ZINC000611500679 399482554 /nfs/dbraw/zinc/48/25/54/399482554.db2.gz NHIGMJNOQBDPOZ-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1Br ZINC000611500679 399482555 /nfs/dbraw/zinc/48/25/55/399482555.db2.gz NHIGMJNOQBDPOZ-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C[C@@H]1CN(c2ccc(NCc3cccc(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000602593765 399486751 /nfs/dbraw/zinc/48/67/51/399486751.db2.gz MUYUJFWESNYQMC-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cccnc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552602 399490500 /nfs/dbraw/zinc/49/05/00/399490500.db2.gz FDQOTDPSCCXKJI-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000611553102 399490592 /nfs/dbraw/zinc/49/05/92/399490592.db2.gz QVTHPLGWNOGCBS-SFHVURJKSA-N 1 2 310.376 2.603 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611555256 399491160 /nfs/dbraw/zinc/49/11/60/399491160.db2.gz TWEDWEQYKXXTSG-MBNYWOFBSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611555256 399491163 /nfs/dbraw/zinc/49/11/63/399491163.db2.gz TWEDWEQYKXXTSG-MBNYWOFBSA-N 1 2 319.371 2.704 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000611553344 399491402 /nfs/dbraw/zinc/49/14/02/399491402.db2.gz XDEHZKGJAFJSLX-GOSISDBHSA-N 1 2 310.376 2.603 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000119826467 195044302 /nfs/dbraw/zinc/04/43/02/195044302.db2.gz GQXKQUMGBZCQAN-CYBMUJFWSA-N 1 2 324.384 2.743 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623993252 399516516 /nfs/dbraw/zinc/51/65/16/399516516.db2.gz MPCQDWCYTUMYTE-KRWDZBQOSA-N 1 2 309.413 2.969 20 30 DFEDLO N#Cc1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000269968202 208019034 /nfs/dbraw/zinc/01/90/34/208019034.db2.gz NPXNGKYRZNPIBS-CYBMUJFWSA-N 1 2 323.356 2.800 20 30 DFEDLO COC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC(C)(C)O1 ZINC000625402584 399546403 /nfs/dbraw/zinc/54/64/03/399546403.db2.gz OKUDYZJYFAVIIS-OAHLLOKOSA-N 1 2 307.821 2.817 20 30 DFEDLO COC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC(C)(C)O1 ZINC000625402584 399546409 /nfs/dbraw/zinc/54/64/09/399546409.db2.gz OKUDYZJYFAVIIS-OAHLLOKOSA-N 1 2 307.821 2.817 20 30 DFEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)C(=O)OC ZINC000602733414 399546521 /nfs/dbraw/zinc/54/65/21/399546521.db2.gz IAOKCMDNOOIUNZ-CQSZACIVSA-N 1 2 319.430 2.746 20 30 DFEDLO N#CCC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000158974757 197315204 /nfs/dbraw/zinc/31/52/04/197315204.db2.gz HRGDCHBTXKZMBC-INIZCTEOSA-N 1 2 311.389 2.617 20 30 DFEDLO N#Cc1c(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccn21 ZINC000272917620 210303849 /nfs/dbraw/zinc/30/38/49/210303849.db2.gz PMWHBOZXXQDZAB-AWEZNQCLSA-N 1 2 318.384 2.539 20 30 DFEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccccn2)C2CC2)cc1 ZINC000602768294 399564089 /nfs/dbraw/zinc/56/40/89/399564089.db2.gz GZXWWOVFCYAQQF-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccccn2)C2CC2)cc1 ZINC000602768294 399564098 /nfs/dbraw/zinc/56/40/98/399564098.db2.gz GZXWWOVFCYAQQF-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612160634 399594425 /nfs/dbraw/zinc/59/44/25/399594425.db2.gz KGAQQJBHRVYTCN-SUMWQHHRSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612160634 399594429 /nfs/dbraw/zinc/59/44/29/399594429.db2.gz KGAQQJBHRVYTCN-SUMWQHHRSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166822 399596569 /nfs/dbraw/zinc/59/65/69/399596569.db2.gz ZLDZWXQPXXHFFE-DNVCBOLYSA-N 1 2 311.429 2.585 20 30 DFEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166822 399596575 /nfs/dbraw/zinc/59/65/75/399596575.db2.gz ZLDZWXQPXXHFFE-DNVCBOLYSA-N 1 2 311.429 2.585 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602848802 399600843 /nfs/dbraw/zinc/60/08/43/399600843.db2.gz ILPAFDVZQCBCJK-GASCZTMLSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602848802 399600845 /nfs/dbraw/zinc/60/08/45/399600845.db2.gz ILPAFDVZQCBCJK-GASCZTMLSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602848261 399600526 /nfs/dbraw/zinc/60/05/26/399600526.db2.gz GLMYJCFVCZBGLM-GASCZTMLSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602848261 399600527 /nfs/dbraw/zinc/60/05/27/399600527.db2.gz GLMYJCFVCZBGLM-GASCZTMLSA-N 1 2 301.821 2.610 20 30 DFEDLO COc1cc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1Cl ZINC000602850163 399601573 /nfs/dbraw/zinc/60/15/73/399601573.db2.gz PFDHUWXHJHXPAO-STQMWFEESA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)N1CC#N ZINC000602850552 399602045 /nfs/dbraw/zinc/60/20/45/399602045.db2.gz QKBWZGGWJAGJIN-CHWSQXEVSA-N 1 2 302.809 2.630 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000288153413 335053336 /nfs/dbraw/zinc/05/33/36/335053336.db2.gz CGSBXXGOEXDNCZ-MRXNPFEDSA-N 1 2 310.401 2.563 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000288153413 335053337 /nfs/dbraw/zinc/05/33/37/335053337.db2.gz CGSBXXGOEXDNCZ-MRXNPFEDSA-N 1 2 310.401 2.563 20 30 DFEDLO C[C@@H]1C[NH+](Cc2cc(-c3ccccc3)on2)C[C@@H](C)N1CC#N ZINC000602856626 399605197 /nfs/dbraw/zinc/60/51/97/399605197.db2.gz LRJVSOSLHPYAGK-HUUCEWRRSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H]1C[NH+](Cc2csc(-c3ccoc3)n2)C[C@@H](C)N1CC#N ZINC000602859196 399606805 /nfs/dbraw/zinc/60/68/05/399606805.db2.gz XDPZSACFZGEOLX-CHWSQXEVSA-N 1 2 316.430 2.821 20 30 DFEDLO CC(C)c1n[nH]c(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000602859638 399606843 /nfs/dbraw/zinc/60/68/43/399606843.db2.gz DSUGMGJOLWAOLJ-HNNXBMFYSA-N 1 2 314.437 2.626 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)[nH]1 ZINC000602859638 399606845 /nfs/dbraw/zinc/60/68/45/399606845.db2.gz DSUGMGJOLWAOLJ-HNNXBMFYSA-N 1 2 314.437 2.626 20 30 DFEDLO CC(C)c1nc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)n[nH]1 ZINC000602859638 399606849 /nfs/dbraw/zinc/60/68/49/399606849.db2.gz DSUGMGJOLWAOLJ-HNNXBMFYSA-N 1 2 314.437 2.626 20 30 DFEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860708 399606310 /nfs/dbraw/zinc/60/63/10/399606310.db2.gz DOUKQHYEVWPTEN-GJZGRUSLSA-N 1 2 301.434 2.954 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000602862909 399607977 /nfs/dbraw/zinc/60/79/77/399607977.db2.gz MRSHFVRCHPNNOR-CYBMUJFWSA-N 1 2 305.397 2.845 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000602868209 399608903 /nfs/dbraw/zinc/60/89/03/399608903.db2.gz HZYAXMONEVOIIS-NXEZZACHSA-N 1 2 310.195 2.668 20 30 DFEDLO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)CC#N)cs2)cc1 ZINC000602868000 399608987 /nfs/dbraw/zinc/60/89/87/399608987.db2.gz GUWAWAXOWDTKRA-LLVKDONJSA-N 1 2 315.398 2.988 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612251046 399609723 /nfs/dbraw/zinc/60/97/23/399609723.db2.gz LZAAJBILWZJEBS-GOSISDBHSA-N 1 2 310.401 2.751 20 30 DFEDLO N#Cc1ccccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294800825 224229951 /nfs/dbraw/zinc/22/99/51/224229951.db2.gz MXHITEPUBRNXRL-UHFFFAOYSA-N 1 2 305.381 2.822 20 30 DFEDLO N#Cc1ccccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294800825 224229954 /nfs/dbraw/zinc/22/99/54/224229954.db2.gz MXHITEPUBRNXRL-UHFFFAOYSA-N 1 2 305.381 2.822 20 30 DFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602882936 399615146 /nfs/dbraw/zinc/61/51/46/399615146.db2.gz DYTRWPWFAFTSIF-CJNGLKHVSA-N 1 2 302.374 2.535 20 30 DFEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000602882936 399615152 /nfs/dbraw/zinc/61/51/52/399615152.db2.gz DYTRWPWFAFTSIF-CJNGLKHVSA-N 1 2 302.374 2.535 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602925127 399628946 /nfs/dbraw/zinc/62/89/46/399628946.db2.gz ICLSWXFQCYQDPW-XJKSGUPXSA-N 1 2 303.406 2.671 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602925127 399628949 /nfs/dbraw/zinc/62/89/49/399628949.db2.gz ICLSWXFQCYQDPW-XJKSGUPXSA-N 1 2 303.406 2.671 20 30 DFEDLO Clc1cccc(C#CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000152400060 335056632 /nfs/dbraw/zinc/05/66/32/335056632.db2.gz WMOIPQBFJWJDMO-UHFFFAOYSA-N 1 2 311.816 2.909 20 30 DFEDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000602929953 399631886 /nfs/dbraw/zinc/63/18/86/399631886.db2.gz BBBOOUGPSHUBNB-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000602929953 399631889 /nfs/dbraw/zinc/63/18/89/399631889.db2.gz BBBOOUGPSHUBNB-QMTHXVAHSA-N 1 2 309.207 2.666 20 30 DFEDLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602973964 399644327 /nfs/dbraw/zinc/64/43/27/399644327.db2.gz ICZOMPRUMJFZGU-GOEBONIOSA-N 1 2 319.836 2.623 20 30 DFEDLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602973964 399644330 /nfs/dbraw/zinc/64/43/30/399644330.db2.gz ICZOMPRUMJFZGU-GOEBONIOSA-N 1 2 319.836 2.623 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602977177 399644989 /nfs/dbraw/zinc/64/49/89/399644989.db2.gz YVLCFUBOTIUFKJ-HIFRSBDPSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602977177 399644995 /nfs/dbraw/zinc/64/49/95/399644995.db2.gz YVLCFUBOTIUFKJ-HIFRSBDPSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977383 399645273 /nfs/dbraw/zinc/64/52/73/399645273.db2.gz AKVQYLLWKTZQJH-HIFRSBDPSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977383 399645276 /nfs/dbraw/zinc/64/52/76/399645276.db2.gz AKVQYLLWKTZQJH-HIFRSBDPSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@@H]1CCC[C@H]1C#N ZINC000602981815 399649788 /nfs/dbraw/zinc/64/97/88/399649788.db2.gz JZPKZUGLRQOSFM-CMPLNLGQSA-N 1 2 314.311 2.542 20 30 DFEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@@H]1CCC[C@H]1C#N ZINC000602981815 399649792 /nfs/dbraw/zinc/64/97/92/399649792.db2.gz JZPKZUGLRQOSFM-CMPLNLGQSA-N 1 2 314.311 2.542 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1cncn1CC ZINC000624460469 399679053 /nfs/dbraw/zinc/67/90/53/399679053.db2.gz AKODZZPMSGHLRQ-INIZCTEOSA-N 1 2 316.449 2.631 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1cncn1CC ZINC000624460469 399679058 /nfs/dbraw/zinc/67/90/58/399679058.db2.gz AKODZZPMSGHLRQ-INIZCTEOSA-N 1 2 316.449 2.631 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000624463493 399680455 /nfs/dbraw/zinc/68/04/55/399680455.db2.gz LTZBHBBZQQTVIG-OAHLLOKOSA-N 1 2 303.406 2.847 20 30 DFEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000612584378 399681708 /nfs/dbraw/zinc/68/17/08/399681708.db2.gz DKDMIMHKXAEJJR-SNVBAGLBSA-N 1 2 301.371 2.931 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000603082052 399676085 /nfs/dbraw/zinc/67/60/85/399676085.db2.gz SDQHZARNLHSQBG-UHFFFAOYSA-N 1 2 313.336 2.763 20 30 DFEDLO Cc1cc2[nH+]cn(Cc3cn(CC4(C#N)CCC4)nn3)c2cc1C ZINC000603255601 399724464 /nfs/dbraw/zinc/72/44/64/399724464.db2.gz GXRJZVCUYACDDL-UHFFFAOYSA-N 1 2 320.400 2.987 20 30 DFEDLO N#Cc1cccc(NC(=O)C2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000603283852 399730889 /nfs/dbraw/zinc/73/08/89/399730889.db2.gz FQOICFGRASRAKR-UHFFFAOYSA-N 1 2 324.359 2.947 20 30 DFEDLO N#Cc1cnn(-c2ccccc2)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000603285670 399732401 /nfs/dbraw/zinc/73/24/01/399732401.db2.gz VGEITKBWNPHDMI-UHFFFAOYSA-N 1 2 318.384 2.782 20 30 DFEDLO Cc1ccc(Cn2c(C(F)(F)F)ccc(C#N)c2=O)c(C)[nH+]1 ZINC000603376956 399758303 /nfs/dbraw/zinc/75/83/03/399758303.db2.gz LXADPCMXHLJHBS-UHFFFAOYSA-N 1 2 307.275 2.799 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617725007 399785041 /nfs/dbraw/zinc/78/50/41/399785041.db2.gz FUIBUTNBHCHLGT-NUJGCVRESA-N 1 2 316.445 2.572 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617725007 399785046 /nfs/dbraw/zinc/78/50/46/399785046.db2.gz FUIBUTNBHCHLGT-NUJGCVRESA-N 1 2 316.445 2.572 20 30 DFEDLO C=CCCCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000681191121 545608772 /nfs/dbraw/zinc/60/87/72/545608772.db2.gz AZWUPSKCJUPITD-HNNXBMFYSA-N 1 2 320.437 2.555 20 30 DFEDLO C=CCCCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000681191121 545608776 /nfs/dbraw/zinc/60/87/76/545608776.db2.gz AZWUPSKCJUPITD-HNNXBMFYSA-N 1 2 320.437 2.555 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000617780177 399798000 /nfs/dbraw/zinc/79/80/00/399798000.db2.gz PUEXLIDNJLSLHF-ZDUSSCGKSA-N 1 2 300.393 2.778 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000613146172 399803996 /nfs/dbraw/zinc/80/39/96/399803996.db2.gz GFLKJRQVKBADQL-OWCLPIDISA-N 1 2 323.400 2.501 20 30 DFEDLO 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CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000072861665 145190997 /nfs/dbraw/zinc/19/09/97/145190997.db2.gz KPMBRWMVDPYJJP-CYBMUJFWSA-N 1 2 323.849 2.978 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000072861665 145191001 /nfs/dbraw/zinc/19/10/01/145191001.db2.gz KPMBRWMVDPYJJP-CYBMUJFWSA-N 1 2 323.849 2.978 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000633411476 399900057 /nfs/dbraw/zinc/90/00/57/399900057.db2.gz SZBCUQMYYOMMDX-AWEZNQCLSA-N 1 2 304.438 2.911 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633899445 399958920 /nfs/dbraw/zinc/95/89/20/399958920.db2.gz XXMUYAHANNWCHU-UHFFFAOYSA-N 1 2 302.418 2.639 20 30 DFEDLO C=CCC[C@H](C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000633919803 399961186 /nfs/dbraw/zinc/96/11/86/399961186.db2.gz CPKDSLVEEZCQFF-ROUUACIJSA-N 1 2 316.445 2.525 20 30 DFEDLO C=CCC[C@H](C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000633919803 399961189 /nfs/dbraw/zinc/96/11/89/399961189.db2.gz 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C=CC[C@@H](C)[C@@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291156787 335078882 /nfs/dbraw/zinc/07/88/82/335078882.db2.gz HXJRRFOTUNXZKE-HUUCEWRRSA-N 1 2 301.434 2.631 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000677048342 544425301 /nfs/dbraw/zinc/42/53/01/544425301.db2.gz VZORIKPFCZYYPD-INIZCTEOSA-N 1 2 314.429 2.563 20 30 DFEDLO COCC#CCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000677130459 544437984 /nfs/dbraw/zinc/43/79/84/544437984.db2.gz GDVZLZZWVWDHBX-UHFFFAOYSA-N 1 2 310.382 2.557 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478145 544495195 /nfs/dbraw/zinc/49/51/95/544495195.db2.gz OVHFCRZIGOBHAM-STQMWFEESA-N 1 2 310.463 2.751 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478145 544495199 /nfs/dbraw/zinc/49/51/99/544495199.db2.gz OVHFCRZIGOBHAM-STQMWFEESA-N 1 2 310.463 2.751 20 30 DFEDLO COCC#CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677818935 544545535 /nfs/dbraw/zinc/54/55/35/544545535.db2.gz YQOCWOFCFGJPTC-AOOOYVTPSA-N 1 2 303.246 2.699 20 30 DFEDLO COCC#CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677818935 544545540 /nfs/dbraw/zinc/54/55/40/544545540.db2.gz YQOCWOFCFGJPTC-AOOOYVTPSA-N 1 2 303.246 2.699 20 30 DFEDLO COCC#CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000679870078 544919430 /nfs/dbraw/zinc/91/94/30/544919430.db2.gz ACYDEHKSFJJCQB-OAHLLOKOSA-N 1 2 313.319 2.729 20 30 DFEDLO COCC#CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000679870078 544919435 /nfs/dbraw/zinc/91/94/35/544919435.db2.gz ACYDEHKSFJJCQB-OAHLLOKOSA-N 1 2 313.319 2.729 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000302203125 230160250 /nfs/dbraw/zinc/16/02/50/230160250.db2.gz IQRRNGYZZUDKID-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058453710 425898129 /nfs/dbraw/zinc/89/81/29/425898129.db2.gz FEIAKWAZDWIDPW-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559414 425905227 /nfs/dbraw/zinc/90/52/27/425905227.db2.gz LEADDMIMXLHVGU-INIZCTEOSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559414 425905228 /nfs/dbraw/zinc/90/52/28/425905228.db2.gz LEADDMIMXLHVGU-INIZCTEOSA-N 1 2 323.458 2.649 20 30 DFEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1noc(C2CC2)n1 ZINC000067098739 425908565 /nfs/dbraw/zinc/90/85/65/425908565.db2.gz ANSPHRPSMQIMJV-UHFFFAOYSA-N 1 2 306.753 2.632 20 30 DFEDLO Cc1cc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425266577 269914556 /nfs/dbraw/zinc/91/45/56/269914556.db2.gz IEWAJIJPSPTNHI-LLVKDONJSA-N 1 2 312.339 2.582 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccc(C#N)c1 ZINC000068826834 425922030 /nfs/dbraw/zinc/92/20/30/425922030.db2.gz OEMAJKFYDDDHMR-INIZCTEOSA-N 1 2 324.428 2.554 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccc(C#N)c1 ZINC000068826834 425922033 /nfs/dbraw/zinc/92/20/33/425922033.db2.gz OEMAJKFYDDDHMR-INIZCTEOSA-N 1 2 324.428 2.554 20 30 DFEDLO C[N@H+](CCCCC#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155623490 425923430 /nfs/dbraw/zinc/92/34/30/425923430.db2.gz YTVLQDQJYCODES-ZDUSSCGKSA-N 1 2 312.822 2.794 20 30 DFEDLO C[N@@H+](CCCCC#N)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155623490 425923434 /nfs/dbraw/zinc/92/34/34/425923434.db2.gz YTVLQDQJYCODES-ZDUSSCGKSA-N 1 2 312.822 2.794 20 30 DFEDLO CC(C)n1cncc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000425328791 270001068 /nfs/dbraw/zinc/00/10/68/270001068.db2.gz RXKAWJSYJPSFAL-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000425328791 270001069 /nfs/dbraw/zinc/00/10/69/270001069.db2.gz RXKAWJSYJPSFAL-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO C[C@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000533467092 270002896 /nfs/dbraw/zinc/00/28/96/270002896.db2.gz VWYNFFOPGAJKCY-XJKSGUPXSA-N 1 2 323.400 2.693 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000533540419 270003057 /nfs/dbraw/zinc/00/30/57/270003057.db2.gz LWMGZZVPTPNEON-GYSYKLTISA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000533540419 270003058 /nfs/dbraw/zinc/00/30/58/270003058.db2.gz LWMGZZVPTPNEON-GYSYKLTISA-N 1 2 315.442 2.920 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156286698 425933625 /nfs/dbraw/zinc/93/36/25/425933625.db2.gz BKFCAIURZOLAOM-QGZVFWFLSA-N 1 2 309.413 2.703 20 30 DFEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000156680210 425935380 /nfs/dbraw/zinc/93/53/80/425935380.db2.gz MOEVZKFSPPNXFE-UHFFFAOYSA-N 1 2 307.463 2.714 20 30 DFEDLO COc1ccc(NC(=O)CC[N@H+](CC#N)C2CCCC2)cc1 ZINC000156728807 425935920 /nfs/dbraw/zinc/93/59/20/425935920.db2.gz QLNDXMPPUXYSTF-UHFFFAOYSA-N 1 2 301.390 2.792 20 30 DFEDLO COc1ccc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156728807 425935922 /nfs/dbraw/zinc/93/59/22/425935922.db2.gz QLNDXMPPUXYSTF-UHFFFAOYSA-N 1 2 301.390 2.792 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340926717 266110481 /nfs/dbraw/zinc/11/04/81/266110481.db2.gz RJVYDYYSSLJESZ-HNNXBMFYSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340926717 266110485 /nfs/dbraw/zinc/11/04/85/266110485.db2.gz RJVYDYYSSLJESZ-HNNXBMFYSA-N 1 2 303.381 2.530 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCN1CC(F)F ZINC000341127301 266380058 /nfs/dbraw/zinc/38/00/58/266380058.db2.gz NXSXBTKKPYEKMJ-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCN1CC(F)F ZINC000341127301 266380061 /nfs/dbraw/zinc/38/00/61/266380061.db2.gz NXSXBTKKPYEKMJ-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(=O)OCC ZINC000439009139 267016474 /nfs/dbraw/zinc/01/64/74/267016474.db2.gz XSDCBUFVENEADJ-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(=O)OCC ZINC000439009139 267016475 /nfs/dbraw/zinc/01/64/75/267016475.db2.gz XSDCBUFVENEADJ-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)CS(=O)(=O)CC ZINC000487917754 267069164 /nfs/dbraw/zinc/06/91/64/267069164.db2.gz LJGSDCPMWUAKQJ-CQSZACIVSA-N 1 2 308.447 2.512 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)CS(=O)(=O)CC ZINC000487917754 267069166 /nfs/dbraw/zinc/06/91/66/267069166.db2.gz LJGSDCPMWUAKQJ-CQSZACIVSA-N 1 2 308.447 2.512 20 30 DFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Cl ZINC000352877525 267080254 /nfs/dbraw/zinc/08/02/54/267080254.db2.gz QZWWJNWNCQXNIU-CZUORRHYSA-N 1 2 319.836 2.507 20 30 DFEDLO CCOC(=O)[C@H]1CN(c2cc(C)[nH+]cc2C#N)Cc2ccccc21 ZINC000425230088 267135043 /nfs/dbraw/zinc/13/50/43/267135043.db2.gz CKLIKKSDBDEVHC-KRWDZBQOSA-N 1 2 321.380 2.929 20 30 DFEDLO CCOC[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459713134 267140700 /nfs/dbraw/zinc/14/07/00/267140700.db2.gz NPMYGNCHINLZBN-CQSZACIVSA-N 1 2 303.362 2.857 20 30 DFEDLO CCOC[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459713134 267140703 /nfs/dbraw/zinc/14/07/03/267140703.db2.gz NPMYGNCHINLZBN-CQSZACIVSA-N 1 2 303.362 2.857 20 30 DFEDLO CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C ZINC000451539377 267148301 /nfs/dbraw/zinc/14/83/01/267148301.db2.gz KCJKLKJGNYJNNF-IAOVAPTHSA-N 1 2 316.401 2.519 20 30 DFEDLO CCO[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C ZINC000451539377 267148303 /nfs/dbraw/zinc/14/83/03/267148303.db2.gz KCJKLKJGNYJNNF-IAOVAPTHSA-N 1 2 316.401 2.519 20 30 DFEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1c(F)cncc1F ZINC000353231913 267182564 /nfs/dbraw/zinc/18/25/64/267182564.db2.gz OAIWXULXDKICNA-QMMMGPOBSA-N 1 2 322.340 2.582 20 30 DFEDLO CC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1[nH]cc[nH+]1 ZINC000447527080 267192592 /nfs/dbraw/zinc/19/25/92/267192592.db2.gz DXKVXVIFDJHTBU-CYBMUJFWSA-N 1 2 321.340 2.817 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cscc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000342873798 267216046 /nfs/dbraw/zinc/21/60/46/267216046.db2.gz XWDIADKBHUGNEE-FZMZJTMJSA-N 1 2 300.387 2.540 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000455483417 267256938 /nfs/dbraw/zinc/25/69/38/267256938.db2.gz YTFXATLKGQOVOA-SNVBAGLBSA-N 1 2 301.325 2.796 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000456335610 267258069 /nfs/dbraw/zinc/25/80/69/267258069.db2.gz AKYXVDFYOGPXNI-SECBINFHSA-N 1 2 304.300 2.544 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C#N)ccc1Cl ZINC000456364215 267259335 /nfs/dbraw/zinc/25/93/35/267259335.db2.gz VBQXFBMSBMOHIH-JTQLQIEISA-N 1 2 302.765 2.919 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000459053123 267259395 /nfs/dbraw/zinc/25/93/95/267259395.db2.gz HAQBSXSLGCNOOX-ZDUSSCGKSA-N 1 2 323.400 2.824 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000178547247 267286226 /nfs/dbraw/zinc/28/62/26/267286226.db2.gz OQOIRPKHFXUUHT-UHFFFAOYSA-N 1 2 309.373 2.885 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC(C)(C)C1 ZINC000030196353 267393435 /nfs/dbraw/zinc/39/34/35/267393435.db2.gz MMQRVTBGHULSQU-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC(C)(C)C1 ZINC000030196353 267393440 /nfs/dbraw/zinc/39/34/40/267393440.db2.gz MMQRVTBGHULSQU-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1C#N ZINC000527198521 267417987 /nfs/dbraw/zinc/41/79/87/267417987.db2.gz HOMLPJIOBPSGFY-UHFFFAOYSA-N 1 2 316.401 2.734 20 30 DFEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327402 425810158 /nfs/dbraw/zinc/81/01/58/425810158.db2.gz WKHALZYZHVKMDJ-SFHVURJKSA-N 1 2 307.397 2.820 20 30 DFEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327402 425810159 /nfs/dbraw/zinc/81/01/59/425810159.db2.gz WKHALZYZHVKMDJ-SFHVURJKSA-N 1 2 307.397 2.820 20 30 DFEDLO N#Cc1ccccc1OCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046106026 425864371 /nfs/dbraw/zinc/86/43/71/425864371.db2.gz ZYRQQVWMQCLVBL-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000046518983 425865468 /nfs/dbraw/zinc/86/54/68/425865468.db2.gz NBTGMEDXWJTFJL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000046518983 425865469 /nfs/dbraw/zinc/86/54/69/425865469.db2.gz NBTGMEDXWJTFJL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ncncc4C#N)C3)[nH+]c2c1 ZINC000519773259 268049050 /nfs/dbraw/zinc/04/90/50/268049050.db2.gz ANABIBUVXFHFGR-ZDUSSCGKSA-N 1 2 318.384 2.917 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428956199 268066050 /nfs/dbraw/zinc/06/60/50/268066050.db2.gz XTVVGJNNVKWTEC-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000047258915 425868831 /nfs/dbraw/zinc/86/88/31/425868831.db2.gz KOJHATRGHIJSOJ-LLVKDONJSA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000047258915 425868832 /nfs/dbraw/zinc/86/88/32/425868832.db2.gz KOJHATRGHIJSOJ-LLVKDONJSA-N 1 2 314.414 2.782 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000193853778 268118839 /nfs/dbraw/zinc/11/88/39/268118839.db2.gz PEBRSDXGUTVSFO-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000194862311 268119336 /nfs/dbraw/zinc/11/93/36/268119336.db2.gz JZEVUKLHYABBSL-UHFFFAOYSA-N 1 2 322.412 2.658 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346982523 268139719 /nfs/dbraw/zinc/13/97/19/268139719.db2.gz NNODYVGJCGCZAW-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346982523 268139720 /nfs/dbraw/zinc/13/97/20/268139720.db2.gz NNODYVGJCGCZAW-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489013951 268162397 /nfs/dbraw/zinc/16/23/97/268162397.db2.gz OGDXGEKFMFZQAT-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000428940064 268163328 /nfs/dbraw/zinc/16/33/28/268163328.db2.gz BNJUNPILXCWJID-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000428940064 268163329 /nfs/dbraw/zinc/16/33/29/268163329.db2.gz BNJUNPILXCWJID-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1OC(F)(F)F ZINC000492869640 268185907 /nfs/dbraw/zinc/18/59/07/268185907.db2.gz VBOCEZLUECJALF-DUXPYHPUSA-N 1 2 322.246 2.832 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(Cl)c1 ZINC000439442710 268217315 /nfs/dbraw/zinc/21/73/15/268217315.db2.gz MMSHSBULESQXGE-UHFFFAOYSA-N 1 2 317.820 2.656 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c(Cl)c1 ZINC000439442710 268217316 /nfs/dbraw/zinc/21/73/16/268217316.db2.gz MMSHSBULESQXGE-UHFFFAOYSA-N 1 2 317.820 2.656 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(N4CCC4=O)cc3)n2c1 ZINC000341511967 268224817 /nfs/dbraw/zinc/22/48/17/268224817.db2.gz NRDBCWFSSHFFNR-UHFFFAOYSA-N 1 2 317.352 2.555 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178063901 268232482 /nfs/dbraw/zinc/23/24/82/268232482.db2.gz OZAGKNVSNKUMAP-SNAWJCMRSA-N 1 2 302.337 2.536 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000347595481 268239037 /nfs/dbraw/zinc/23/90/37/268239037.db2.gz CJEWSBDGOAYARQ-UHFFFAOYSA-N 1 2 316.364 2.554 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000343992016 268244903 /nfs/dbraw/zinc/24/49/03/268244903.db2.gz QOLXSQITJUVBES-QGZVFWFLSA-N 1 2 303.369 2.598 20 30 DFEDLO C[C@H]1[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1(C)C ZINC000331043266 268355228 /nfs/dbraw/zinc/35/52/28/268355228.db2.gz FWLDLVBYKMBWGJ-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1(C)C ZINC000331043266 268355229 /nfs/dbraw/zinc/35/52/29/268355229.db2.gz FWLDLVBYKMBWGJ-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c(C#N)c[nH+]1 ZINC000333404543 268396047 /nfs/dbraw/zinc/39/60/47/268396047.db2.gz GHYKGGAKBOBATJ-ZDUSSCGKSA-N 1 2 308.389 2.572 20 30 DFEDLO CC#CC[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000157637169 425939149 /nfs/dbraw/zinc/93/91/49/425939149.db2.gz AXDDDBYDBYKNTQ-MRXNPFEDSA-N 1 2 324.428 2.747 20 30 DFEDLO Cc1ccn2c(CN(CCC#N)Cc3cccnc3)c[nH+]c2c1 ZINC000159040980 425953092 /nfs/dbraw/zinc/95/30/92/425953092.db2.gz QMLFQCWJEKWQQO-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO COCc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000126916344 426041999 /nfs/dbraw/zinc/04/19/99/426041999.db2.gz YFXBOIVBVFOUNO-UHFFFAOYSA-N 1 2 311.385 2.620 20 30 DFEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2ccc(F)cc2)oc1C ZINC000161955987 426046905 /nfs/dbraw/zinc/04/69/05/426046905.db2.gz DYZFJJMNACONCJ-UHFFFAOYSA-N 1 2 315.344 2.997 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2ccc(F)cc2)oc1C ZINC000161955987 426046910 /nfs/dbraw/zinc/04/69/10/426046910.db2.gz DYZFJJMNACONCJ-UHFFFAOYSA-N 1 2 315.344 2.997 20 30 DFEDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000127513276 426070695 /nfs/dbraw/zinc/07/06/95/426070695.db2.gz DRSKMQSYWNLTIN-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000127513276 426070696 /nfs/dbraw/zinc/07/06/96/426070696.db2.gz DRSKMQSYWNLTIN-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000072692325 426019319 /nfs/dbraw/zinc/01/93/19/426019319.db2.gz ZIUGYLVMBFIOSM-UHFFFAOYSA-N 1 2 323.387 2.843 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000072692325 426019321 /nfs/dbraw/zinc/01/93/21/426019321.db2.gz ZIUGYLVMBFIOSM-UHFFFAOYSA-N 1 2 323.387 2.843 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000163031127 426086906 /nfs/dbraw/zinc/08/69/06/426086906.db2.gz ZFRDGSHEWWVSPU-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccnc1 ZINC000163031127 426086908 /nfs/dbraw/zinc/08/69/08/426086908.db2.gz ZFRDGSHEWWVSPU-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000115161676 426155830 /nfs/dbraw/zinc/15/58/30/426155830.db2.gz CDOZEIJRZPIJGZ-UHFFFAOYSA-N 1 2 311.385 2.878 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000131265630 426164869 /nfs/dbraw/zinc/16/48/69/426164869.db2.gz CXBLIUVGOCSSKQ-AWEZNQCLSA-N 1 2 324.384 2.767 20 30 DFEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000115595331 426169276 /nfs/dbraw/zinc/16/92/76/426169276.db2.gz XZKKXCVDWIHHQP-HWPZZCPQSA-N 1 2 315.323 2.714 20 30 DFEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc(C)cs1 ZINC000115599617 426169656 /nfs/dbraw/zinc/16/96/56/426169656.db2.gz RFBSDAFKZURPPE-KGLIPLIRSA-N 1 2 314.414 2.591 20 30 DFEDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)oc2ccccc12 ZINC000115600624 426170153 /nfs/dbraw/zinc/17/01/53/426170153.db2.gz VITXWTMIIIQMTK-GOSISDBHSA-N 1 2 319.364 2.929 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171164129 426173188 /nfs/dbraw/zinc/17/31/88/426173188.db2.gz PLBAFBXETCDJAU-UHFFFAOYSA-N 1 2 307.328 2.749 20 30 DFEDLO N#Cc1ccc(CN(C(=O)NCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000171284839 426181765 /nfs/dbraw/zinc/18/17/65/426181765.db2.gz NFQWDLUVGPWIOU-UHFFFAOYSA-N 1 2 323.400 2.519 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccncc1)Cc1cccc(C#N)c1 ZINC000171988124 426219639 /nfs/dbraw/zinc/21/96/39/426219639.db2.gz MRYCLMCLXPCRLB-UHFFFAOYSA-N 1 2 306.369 2.580 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccncc1)Cc1cccc(C#N)c1 ZINC000171988124 426219641 /nfs/dbraw/zinc/21/96/41/426219641.db2.gz MRYCLMCLXPCRLB-UHFFFAOYSA-N 1 2 306.369 2.580 20 30 DFEDLO CC[C@@]1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000135625172 426225411 /nfs/dbraw/zinc/22/54/11/426225411.db2.gz UFQCJJGLYVGXFO-KRWDZBQOSA-N 1 2 312.373 2.609 20 30 DFEDLO CC[C@@]1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000135625172 426225413 /nfs/dbraw/zinc/22/54/13/426225413.db2.gz UFQCJJGLYVGXFO-KRWDZBQOSA-N 1 2 312.373 2.609 20 30 DFEDLO C=CCCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000117944662 426226910 /nfs/dbraw/zinc/22/69/10/426226910.db2.gz NOQDMFPJYYHKIT-UHFFFAOYSA-N 1 2 319.474 2.820 20 30 DFEDLO N#CC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)C1CCCC1 ZINC000083206786 426230227 /nfs/dbraw/zinc/23/02/27/426230227.db2.gz JDQBTBFLWOCCKE-UHFFFAOYSA-N 1 2 304.369 2.505 20 30 DFEDLO N#CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)C1CCCC1 ZINC000083206786 426230229 /nfs/dbraw/zinc/23/02/29/426230229.db2.gz JDQBTBFLWOCCKE-UHFFFAOYSA-N 1 2 304.369 2.505 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000118391679 426233887 /nfs/dbraw/zinc/23/38/87/426233887.db2.gz XROUFKDKLFZVOL-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)on1 ZINC000118391770 426233966 /nfs/dbraw/zinc/23/39/66/426233966.db2.gz FLIKBIIQERGSFV-OAHLLOKOSA-N 1 2 310.401 2.734 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000173934078 426250415 /nfs/dbraw/zinc/25/04/15/426250415.db2.gz AKINRVOAEDETTM-LBPRGKRZSA-N 1 2 307.419 2.534 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000173934078 426250420 /nfs/dbraw/zinc/25/04/20/426250420.db2.gz AKINRVOAEDETTM-LBPRGKRZSA-N 1 2 307.419 2.534 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000118972821 426253024 /nfs/dbraw/zinc/25/30/24/426253024.db2.gz LXKROWRDLYVNHR-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000118972821 426253025 /nfs/dbraw/zinc/25/30/25/426253025.db2.gz LXKROWRDLYVNHR-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120450806 426311370 /nfs/dbraw/zinc/31/13/70/426311370.db2.gz ZENDAMPFWOJJAW-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120450806 426311373 /nfs/dbraw/zinc/31/13/73/426311373.db2.gz ZENDAMPFWOJJAW-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559967 426277621 /nfs/dbraw/zinc/27/76/21/426277621.db2.gz ALABDFKLUCXYKM-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559967 426277622 /nfs/dbraw/zinc/27/76/22/426277622.db2.gz ALABDFKLUCXYKM-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2ccccc2c1 ZINC000151277635 426287505 /nfs/dbraw/zinc/28/75/05/426287505.db2.gz YHALHXVFSGXADX-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc2ccccc2c1 ZINC000151277635 426287508 /nfs/dbraw/zinc/28/75/08/426287508.db2.gz YHALHXVFSGXADX-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc2ccccc2c1 ZINC000151277635 426287511 /nfs/dbraw/zinc/28/75/11/426287511.db2.gz YHALHXVFSGXADX-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO C=CCCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176575443 426394400 /nfs/dbraw/zinc/39/44/00/426394400.db2.gz BBMVZSWNDHFHAV-CQSZACIVSA-N 1 2 308.447 2.512 20 30 DFEDLO C=CC[N@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000092361122 426348160 /nfs/dbraw/zinc/34/81/60/426348160.db2.gz ZBHSFZNRPPDLPN-AWEZNQCLSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000092361122 426348163 /nfs/dbraw/zinc/34/81/63/426348163.db2.gz ZBHSFZNRPPDLPN-AWEZNQCLSA-N 1 2 305.399 2.608 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000176091179 426351749 /nfs/dbraw/zinc/35/17/49/426351749.db2.gz FZSAXIKQNXMLLF-UHFFFAOYSA-N 1 2 315.352 2.872 20 30 DFEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CC)CCC#N)s1 ZINC000122021050 426356063 /nfs/dbraw/zinc/35/60/63/426356063.db2.gz KMCXAKGABMQFGR-ZDUSSCGKSA-N 1 2 322.478 2.769 20 30 DFEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CC)CCC#N)s1 ZINC000122021050 426356066 /nfs/dbraw/zinc/35/60/66/426356066.db2.gz KMCXAKGABMQFGR-ZDUSSCGKSA-N 1 2 322.478 2.769 20 30 DFEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CC)CCC#N)s1 ZINC000122020859 426356233 /nfs/dbraw/zinc/35/62/33/426356233.db2.gz KMCXAKGABMQFGR-CYBMUJFWSA-N 1 2 322.478 2.769 20 30 DFEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CC)CCC#N)s1 ZINC000122020859 426356235 /nfs/dbraw/zinc/35/62/35/426356235.db2.gz KMCXAKGABMQFGR-CYBMUJFWSA-N 1 2 322.478 2.769 20 30 DFEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177113690 426444938 /nfs/dbraw/zinc/44/49/38/426444938.db2.gz SLEVQCPTKZFXEB-HNNXBMFYSA-N 1 2 324.346 2.513 20 30 DFEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177113690 426444942 /nfs/dbraw/zinc/44/49/42/426444942.db2.gz SLEVQCPTKZFXEB-HNNXBMFYSA-N 1 2 324.346 2.513 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1F ZINC000340762956 269008146 /nfs/dbraw/zinc/00/81/46/269008146.db2.gz COVRMTSGNUOCDL-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1F ZINC000340762956 269008148 /nfs/dbraw/zinc/00/81/48/269008148.db2.gz COVRMTSGNUOCDL-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340963458 269029438 /nfs/dbraw/zinc/02/94/38/269029438.db2.gz GSRMZFWWAQSGTH-TZMCWYRMSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340963458 269029439 /nfs/dbraw/zinc/02/94/39/269029439.db2.gz GSRMZFWWAQSGTH-TZMCWYRMSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1F ZINC000340963456 269029499 /nfs/dbraw/zinc/02/94/99/269029499.db2.gz GSRMZFWWAQSGTH-JSGCOSHPSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1F ZINC000340963456 269029501 /nfs/dbraw/zinc/02/95/01/269029501.db2.gz GSRMZFWWAQSGTH-JSGCOSHPSA-N 1 2 316.298 2.975 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](CCCC#N)C1CC1 ZINC000154960854 426461157 /nfs/dbraw/zinc/46/11/57/426461157.db2.gz ONIQVOUXBMBBTD-QGZVFWFLSA-N 1 2 300.402 2.929 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](CCCC#N)C1CC1 ZINC000154960854 426461159 /nfs/dbraw/zinc/46/11/59/426461159.db2.gz ONIQVOUXBMBBTD-QGZVFWFLSA-N 1 2 300.402 2.929 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](CC)C[C@@H](C)C#N ZINC000155284405 426467615 /nfs/dbraw/zinc/46/76/15/426467615.db2.gz XWNPFNKGZCSHQA-GXTWGEPZSA-N 1 2 306.410 2.962 20 30 DFEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)C[C@@H](C)C#N ZINC000155284405 426467618 /nfs/dbraw/zinc/46/76/18/426467618.db2.gz XWNPFNKGZCSHQA-GXTWGEPZSA-N 1 2 306.410 2.962 20 30 DFEDLO O=C(NCC#Cc1ccccc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000264346158 426540944 /nfs/dbraw/zinc/54/09/44/426540944.db2.gz AEMKPTLIUVPYGW-INIZCTEOSA-N 1 2 308.385 2.698 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC#N)c2C1 ZINC000194651198 426490114 /nfs/dbraw/zinc/49/01/14/426490114.db2.gz OZBZLXWEQCKWTO-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)CC#N)c2C1 ZINC000194651198 426490115 /nfs/dbraw/zinc/49/01/15/426490115.db2.gz OZBZLXWEQCKWTO-CYBMUJFWSA-N 1 2 322.412 2.645 20 30 DFEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264590258 426574995 /nfs/dbraw/zinc/57/49/95/426574995.db2.gz YVNKGKPKIZXLGX-INIZCTEOSA-N 1 2 302.374 2.507 20 30 DFEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264590258 426575000 /nfs/dbraw/zinc/57/50/00/426575000.db2.gz YVNKGKPKIZXLGX-INIZCTEOSA-N 1 2 302.374 2.507 20 30 DFEDLO C=CCC[N@@H+](C)Cc1ncc(I)s1 ZINC000289068175 426577115 /nfs/dbraw/zinc/57/71/15/426577115.db2.gz AVKSNFFHRRUQEL-UHFFFAOYSA-N 1 2 308.188 2.756 20 30 DFEDLO C=CCC[N@H+](C)Cc1ncc(I)s1 ZINC000289068175 426577121 /nfs/dbraw/zinc/57/71/21/426577121.db2.gz AVKSNFFHRRUQEL-UHFFFAOYSA-N 1 2 308.188 2.756 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469226 426581081 /nfs/dbraw/zinc/58/10/81/426581081.db2.gz OVIOUIGYKWYOHP-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469226 426581086 /nfs/dbraw/zinc/58/10/86/426581086.db2.gz OVIOUIGYKWYOHP-RHSMWYFYSA-N 1 2 305.805 2.571 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)C(C)C)cn2c1 ZINC000265196776 426595556 /nfs/dbraw/zinc/59/55/56/426595556.db2.gz DBXHBHTXFPBZKY-CQSZACIVSA-N 1 2 316.430 2.540 20 30 DFEDLO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000265441428 426637225 /nfs/dbraw/zinc/63/72/25/426637225.db2.gz IKSDRDRASPUVPX-CRAIPNDOSA-N 1 2 315.417 2.787 20 30 DFEDLO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000265441428 426637230 /nfs/dbraw/zinc/63/72/30/426637230.db2.gz IKSDRDRASPUVPX-CRAIPNDOSA-N 1 2 315.417 2.787 20 30 DFEDLO C=C(Cl)C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280729919 426644189 /nfs/dbraw/zinc/64/41/89/426644189.db2.gz GRMQDLGMPBQOAI-JSGCOSHPSA-N 1 2 301.839 2.811 20 30 DFEDLO C=C(Cl)C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280729922 426645004 /nfs/dbraw/zinc/64/50/04/426645004.db2.gz GRMQDLGMPBQOAI-OCCSQVGLSA-N 1 2 301.839 2.811 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000280758813 426650343 /nfs/dbraw/zinc/65/03/43/426650343.db2.gz YMEJFUYASLRWPP-UAGQMJEPSA-N 1 2 303.402 2.780 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000280884391 426677408 /nfs/dbraw/zinc/67/74/08/426677408.db2.gz AOEGEFIWJTXQSW-GDZNZVCISA-N 1 2 316.401 2.566 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000281144453 426703185 /nfs/dbraw/zinc/70/31/85/426703185.db2.gz ZJRYJNZCQXMWSZ-MRXNPFEDSA-N 1 2 316.449 2.631 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000281144453 426703190 /nfs/dbraw/zinc/70/31/90/426703190.db2.gz ZJRYJNZCQXMWSZ-MRXNPFEDSA-N 1 2 316.449 2.631 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H](C)Cc2cccs2)c1O ZINC000265876726 426703690 /nfs/dbraw/zinc/70/36/90/426703690.db2.gz AVFLOWHUUQTXGD-LBFZPMSMSA-N 1 2 304.415 2.947 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281206439 426704172 /nfs/dbraw/zinc/70/41/72/426704172.db2.gz CUVSOSLJANWYAC-HIFRSBDPSA-N 1 2 311.385 2.779 20 30 DFEDLO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000179201603 426768830 /nfs/dbraw/zinc/76/88/30/426768830.db2.gz XBAWMPYESJXVSO-TUKIKUTGSA-N 1 2 304.415 2.926 20 30 DFEDLO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000179201603 426768834 /nfs/dbraw/zinc/76/88/34/426768834.db2.gz XBAWMPYESJXVSO-TUKIKUTGSA-N 1 2 304.415 2.926 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000245934051 426785425 /nfs/dbraw/zinc/78/54/25/426785425.db2.gz ZCOPNQSSPSKZBU-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000245934051 426785431 /nfs/dbraw/zinc/78/54/31/426785431.db2.gz ZCOPNQSSPSKZBU-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO C=CCC[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000188268177 426738503 /nfs/dbraw/zinc/73/85/03/426738503.db2.gz DGIPTAXGEKKFIW-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560122 426739830 /nfs/dbraw/zinc/73/98/30/426739830.db2.gz XBJPLXPDYIIBFD-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560122 426739832 /nfs/dbraw/zinc/73/98/32/426739832.db2.gz XBJPLXPDYIIBFD-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1=O ZINC000281946596 426799255 /nfs/dbraw/zinc/79/92/55/426799255.db2.gz JFWYABMSVSDNMA-MOPGFXCFSA-N 1 2 321.424 2.680 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1=O ZINC000281946596 426799259 /nfs/dbraw/zinc/79/92/59/426799259.db2.gz JFWYABMSVSDNMA-MOPGFXCFSA-N 1 2 321.424 2.680 20 30 DFEDLO Cc1cnc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000180408062 426857149 /nfs/dbraw/zinc/85/71/49/426857149.db2.gz XAWJSYOMXUXQIM-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000267017850 426812754 /nfs/dbraw/zinc/81/27/54/426812754.db2.gz JPZHUDMAJAGEJU-RYUDHWBXSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000267017850 426812760 /nfs/dbraw/zinc/81/27/60/426812760.db2.gz JPZHUDMAJAGEJU-RYUDHWBXSA-N 1 2 300.362 2.842 20 30 DFEDLO C[NH+](C)[C@H](CNc1cccnc1C#N)c1c(F)cccc1F ZINC000290670653 426816727 /nfs/dbraw/zinc/81/67/27/426816727.db2.gz RCCMXEOHUVMEBG-OAHLLOKOSA-N 1 2 302.328 2.946 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)C1=O ZINC000282088709 426827968 /nfs/dbraw/zinc/82/79/68/426827968.db2.gz VDIOZSXUBAIHST-SZMVWBNQSA-N 1 2 314.429 2.544 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)C1=O ZINC000282088709 426827972 /nfs/dbraw/zinc/82/79/72/426827972.db2.gz VDIOZSXUBAIHST-SZMVWBNQSA-N 1 2 314.429 2.544 20 30 DFEDLO C[C@@H](C1CC1)n1cc(NCc2c[nH+]c3ccc(C#N)cn23)cn1 ZINC000189249955 426832484 /nfs/dbraw/zinc/83/24/84/426832484.db2.gz IZSGXBJTNILJGI-LBPRGKRZSA-N 1 2 306.373 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267175617 426836895 /nfs/dbraw/zinc/83/68/95/426836895.db2.gz JBCLMCMSWMKFGO-SWLSCSKDSA-N 1 2 305.809 2.847 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267175617 426836901 /nfs/dbraw/zinc/83/69/01/426836901.db2.gz JBCLMCMSWMKFGO-SWLSCSKDSA-N 1 2 305.809 2.847 20 30 DFEDLO C#CCOc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274853948 426851533 /nfs/dbraw/zinc/85/15/33/426851533.db2.gz NROIFGSSNYMXLL-UHFFFAOYSA-N 1 2 324.384 2.833 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC2)C1=O ZINC000281932067 426795509 /nfs/dbraw/zinc/79/55/09/426795509.db2.gz IBKVLPAJZSURCP-MRXNPFEDSA-N 1 2 306.356 2.716 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC2)C1=O ZINC000281932067 426795512 /nfs/dbraw/zinc/79/55/12/426795512.db2.gz IBKVLPAJZSURCP-MRXNPFEDSA-N 1 2 306.356 2.716 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189649115 426916185 /nfs/dbraw/zinc/91/61/85/426916185.db2.gz OACWDEKBOVDQKH-CYBMUJFWSA-N 1 2 315.417 2.775 20 30 DFEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@H](O)C(F)(F)F ZINC000189543157 426884366 /nfs/dbraw/zinc/88/43/66/426884366.db2.gz WIGQXHGVEKKUCH-ZDUSSCGKSA-N 1 2 305.727 2.937 20 30 DFEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H](O)C(F)(F)F ZINC000189543157 426884371 /nfs/dbraw/zinc/88/43/71/426884371.db2.gz WIGQXHGVEKKUCH-ZDUSSCGKSA-N 1 2 305.727 2.937 20 30 DFEDLO Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1C#N ZINC000291551819 426912502 /nfs/dbraw/zinc/91/25/02/426912502.db2.gz AXWCFPCMQVAJPM-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189648524 426912772 /nfs/dbraw/zinc/91/27/72/426912772.db2.gz NAEQDZJIJHBZRT-CYBMUJFWSA-N 1 2 315.417 2.775 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000268269148 426972105 /nfs/dbraw/zinc/97/21/05/426972105.db2.gz BSXMKNONDNMTAU-ZYHUDNBSSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000268269148 426972113 /nfs/dbraw/zinc/97/21/13/426972113.db2.gz BSXMKNONDNMTAU-ZYHUDNBSSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H]1CCN(c2c(C#N)nnc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000268288451 426978060 /nfs/dbraw/zinc/97/80/60/426978060.db2.gz UGHXHXWRDOKOPL-GUYCJALGSA-N 1 2 318.384 2.785 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000268296905 426980321 /nfs/dbraw/zinc/98/03/21/426980321.db2.gz LFFMGCDCRIQRQM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000268296905 426980324 /nfs/dbraw/zinc/98/03/24/426980324.db2.gz LFFMGCDCRIQRQM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCC(F)(F)C1 ZINC000328612415 426980417 /nfs/dbraw/zinc/98/04/17/426980417.db2.gz PJTCPWPIAYSFGX-NWDGAFQWSA-N 1 2 312.364 2.842 20 30 DFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2=C(C)CCC2)nc[nH+]1 ZINC000328602009 426981290 /nfs/dbraw/zinc/98/12/90/426981290.db2.gz GLYGIPZJKDHKCP-ZDUSSCGKSA-N 1 2 315.421 2.944 20 30 DFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2=C(C)CCC2)[nH+]cn1 ZINC000328602009 426981296 /nfs/dbraw/zinc/98/12/96/426981296.db2.gz GLYGIPZJKDHKCP-ZDUSSCGKSA-N 1 2 315.421 2.944 20 30 DFEDLO Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328636740 426984412 /nfs/dbraw/zinc/98/44/12/426984412.db2.gz AKFNTGQUYBGXLE-ZWNOBZJWSA-N 1 2 302.378 2.811 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NCCc1cccs1)CCC2 ZINC000328651790 426985271 /nfs/dbraw/zinc/98/52/71/426985271.db2.gz JZVYZKBKHOIBSR-ZDUSSCGKSA-N 1 2 318.446 2.877 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]CCc1cccs1)CCC2 ZINC000328651790 426985277 /nfs/dbraw/zinc/98/52/77/426985277.db2.gz JZVYZKBKHOIBSR-ZDUSSCGKSA-N 1 2 318.446 2.877 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(C#N)s1 ZINC000181836064 426986750 /nfs/dbraw/zinc/98/67/50/426986750.db2.gz SUWKFXUOBNYSCA-MNOVXSKESA-N 1 2 301.419 2.959 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000291649371 426939409 /nfs/dbraw/zinc/93/94/09/426939409.db2.gz ULCIEZIAFFWUJA-UHFFFAOYSA-N 1 2 316.430 2.801 20 30 DFEDLO Cc1nc(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000328761173 426997026 /nfs/dbraw/zinc/99/70/26/426997026.db2.gz XTYJIKGPGGZGHA-LBPRGKRZSA-N 1 2 317.418 2.760 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1F ZINC000268397628 427006259 /nfs/dbraw/zinc/00/62/59/427006259.db2.gz ZLJYSGPOHJMLSR-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1F ZINC000268397628 427006262 /nfs/dbraw/zinc/00/62/62/427006262.db2.gz ZLJYSGPOHJMLSR-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2snc(Cl)c2C#N)CC1(C)C ZINC000295622787 427013410 /nfs/dbraw/zinc/01/34/10/427013410.db2.gz AFDPCLQESCAYCJ-VIFPVBQESA-N 1 2 307.810 2.989 20 30 DFEDLO O=C(NCCc1ccc2c(c1)CCO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328946627 427016262 /nfs/dbraw/zinc/01/62/62/427016262.db2.gz KAJLKHYMKASYLA-OAHLLOKOSA-N 1 2 311.385 2.580 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329020927 427026598 /nfs/dbraw/zinc/02/65/98/427026598.db2.gz HUKLIDCNCRRYOP-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329020927 427026602 /nfs/dbraw/zinc/02/66/02/427026602.db2.gz HUKLIDCNCRRYOP-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000268463758 427026882 /nfs/dbraw/zinc/02/68/82/427026882.db2.gz LFJBMTOKDFGWFS-AWEZNQCLSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000268463758 427026884 /nfs/dbraw/zinc/02/68/84/427026884.db2.gz LFJBMTOKDFGWFS-AWEZNQCLSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000268463758 427026888 /nfs/dbraw/zinc/02/68/88/427026888.db2.gz LFJBMTOKDFGWFS-AWEZNQCLSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000268463758 427026890 /nfs/dbraw/zinc/02/68/90/427026890.db2.gz LFJBMTOKDFGWFS-AWEZNQCLSA-N 1 2 320.400 2.617 20 30 DFEDLO CC1(NC(=O)NCc2cn3c([nH+]2)CCCC3)Cc2ccccc2C1 ZINC000329040087 427032173 /nfs/dbraw/zinc/03/21/73/427032173.db2.gz DFNBCGZFCMTKTO-UHFFFAOYSA-N 1 2 324.428 2.781 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329052911 427032779 /nfs/dbraw/zinc/03/27/79/427032779.db2.gz HKVHYAABNNNCEN-YJBOKZPZSA-N 1 2 318.417 2.853 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329052911 427032784 /nfs/dbraw/zinc/03/27/84/427032784.db2.gz HKVHYAABNNNCEN-YJBOKZPZSA-N 1 2 318.417 2.853 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000329058021 427033622 /nfs/dbraw/zinc/03/36/22/427033622.db2.gz TWYSMLRMTOHNKD-QKPAOTATSA-N 1 2 317.433 2.662 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCOCC1)C1CCOCC1 ZINC000329052120 427034227 /nfs/dbraw/zinc/03/42/27/427034227.db2.gz LDICKKFIFNUVLW-LSDHHAIUSA-N 1 2 321.421 2.661 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329073245 427035582 /nfs/dbraw/zinc/03/55/82/427035582.db2.gz ZZIQXGJBHULNOM-GFCCVEGCSA-N 1 2 318.352 2.903 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(F)c3)C2)n1 ZINC000329073245 427035591 /nfs/dbraw/zinc/03/55/91/427035591.db2.gz ZZIQXGJBHULNOM-GFCCVEGCSA-N 1 2 318.352 2.903 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCO[C@H]1C)C1CCOCC1 ZINC000329100440 427041366 /nfs/dbraw/zinc/04/13/66/427041366.db2.gz ZKUNGEIFCZLODA-NWANDNLSSA-N 1 2 321.421 2.752 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000329123838 427049172 /nfs/dbraw/zinc/04/91/72/427049172.db2.gz RYVPQGBRTANBRR-ZIAGYGMSSA-N 1 2 302.422 2.846 20 30 DFEDLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329141033 427052673 /nfs/dbraw/zinc/05/26/73/427052673.db2.gz TZZPHNYBYQDXFL-VHDGCEQUSA-N 1 2 320.437 2.580 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329223403 427067603 /nfs/dbraw/zinc/06/76/03/427067603.db2.gz XZOZIUDYVCLRPC-KCPJHIHWSA-N 1 2 316.405 2.837 20 30 DFEDLO Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329276934 427077981 /nfs/dbraw/zinc/07/79/81/427077981.db2.gz LKHXRLKVMLVNDG-LBPRGKRZSA-N 1 2 302.378 2.942 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268652066 427079810 /nfs/dbraw/zinc/07/98/10/427079810.db2.gz GROWKANIVHJGJK-WOJBJXKFSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268652066 427079816 /nfs/dbraw/zinc/07/98/16/427079816.db2.gz GROWKANIVHJGJK-WOJBJXKFSA-N 1 2 322.408 2.883 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000276547752 427096608 /nfs/dbraw/zinc/09/66/08/427096608.db2.gz GIMNCQWLBMAHOO-UHFFFAOYSA-N 1 2 323.440 2.949 20 30 DFEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000329360770 427099501 /nfs/dbraw/zinc/09/95/01/427099501.db2.gz IEQGDQHXNATUGS-SQWLQELKSA-N 1 2 305.422 2.996 20 30 DFEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000292127849 427102113 /nfs/dbraw/zinc/10/21/13/427102113.db2.gz BBBOOUGPSHUBNB-HZMBPMFUSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000292127849 427102120 /nfs/dbraw/zinc/10/21/20/427102120.db2.gz BBBOOUGPSHUBNB-HZMBPMFUSA-N 1 2 309.207 2.666 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 ZINC000329400676 427106657 /nfs/dbraw/zinc/10/66/57/427106657.db2.gz XVWWTWQJCVPPBL-RYUDHWBXSA-N 1 2 318.421 2.818 20 30 DFEDLO Cn1cc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cc1C#N ZINC000276793212 427120571 /nfs/dbraw/zinc/12/05/71/427120571.db2.gz UASDNHMHOTWYKB-KRWDZBQOSA-N 1 2 309.417 2.836 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1C#N ZINC000276793212 427120576 /nfs/dbraw/zinc/12/05/76/427120576.db2.gz UASDNHMHOTWYKB-KRWDZBQOSA-N 1 2 309.417 2.836 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1C#N ZINC000276793212 427120582 /nfs/dbraw/zinc/12/05/82/427120582.db2.gz UASDNHMHOTWYKB-KRWDZBQOSA-N 1 2 309.417 2.836 20 30 DFEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1nc2ccccc2s1 ZINC000329462864 427123080 /nfs/dbraw/zinc/12/30/80/427123080.db2.gz QIJOMECAVFOGCE-UHFFFAOYSA-N 1 2 317.414 2.997 20 30 DFEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1nc2ccccc2s1 ZINC000329462864 427123087 /nfs/dbraw/zinc/12/30/87/427123087.db2.gz QIJOMECAVFOGCE-UHFFFAOYSA-N 1 2 317.414 2.997 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)[nH]1 ZINC000329506392 427127169 /nfs/dbraw/zinc/12/71/69/427127169.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)[nH]1 ZINC000329506392 427127175 /nfs/dbraw/zinc/12/71/75/427127175.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)n1 ZINC000329506392 427127181 /nfs/dbraw/zinc/12/71/81/427127181.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)n1 ZINC000329506392 427127186 /nfs/dbraw/zinc/12/71/86/427127186.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)n[nH]1 ZINC000329506392 427127189 /nfs/dbraw/zinc/12/71/89/427127189.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)n[nH]1 ZINC000329506392 427127199 /nfs/dbraw/zinc/12/71/99/427127199.db2.gz ZOHDPATYAOGCCN-CQSZACIVSA-N 1 2 319.453 2.972 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCCc2sccc21 ZINC000329538722 427138465 /nfs/dbraw/zinc/13/84/65/427138465.db2.gz CDHPBMDHODFXSO-PWSUYJOCSA-N 1 2 316.430 2.910 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCCc2sccc21 ZINC000329538722 427138473 /nfs/dbraw/zinc/13/84/73/427138473.db2.gz CDHPBMDHODFXSO-PWSUYJOCSA-N 1 2 316.430 2.910 20 30 DFEDLO C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329536600 427138853 /nfs/dbraw/zinc/13/88/53/427138853.db2.gz BDNRCTJWFFBXHX-OCCSQVGLSA-N 1 2 310.401 2.800 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985526 427143052 /nfs/dbraw/zinc/14/30/52/427143052.db2.gz QLEUSSQUJUEBFI-ZMOMAAQPSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985526 427143060 /nfs/dbraw/zinc/14/30/60/427143060.db2.gz QLEUSSQUJUEBFI-ZMOMAAQPSA-N 1 2 304.459 2.829 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000190629405 271214379 /nfs/dbraw/zinc/21/43/79/271214379.db2.gz NWLNSNHGSMTFFY-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000190629405 271214382 /nfs/dbraw/zinc/21/43/82/271214382.db2.gz NWLNSNHGSMTFFY-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000190775379 427177952 /nfs/dbraw/zinc/17/79/52/427177952.db2.gz OSQWLFKNVIQVQU-KSSFIOAISA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cn1 ZINC000190775379 427177960 /nfs/dbraw/zinc/17/79/60/427177960.db2.gz OSQWLFKNVIQVQU-KSSFIOAISA-N 1 2 310.401 2.909 20 30 DFEDLO N#Cc1ccc(C[S@](=O)Cc2cn3ccccc3[nH+]2)cc1F ZINC000190818141 427185306 /nfs/dbraw/zinc/18/53/06/427185306.db2.gz IUYGFMXWHKHPTJ-QFIPXVFZSA-N 1 2 313.357 2.794 20 30 DFEDLO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000252725459 427194507 /nfs/dbraw/zinc/19/45/07/427194507.db2.gz IRUWTZVDULBFAA-ZDUSSCGKSA-N 1 2 320.234 2.995 20 30 DFEDLO N#Cc1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000252725459 427194512 /nfs/dbraw/zinc/19/45/12/427194512.db2.gz IRUWTZVDULBFAA-ZDUSSCGKSA-N 1 2 320.234 2.995 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338323587 427259519 /nfs/dbraw/zinc/25/95/19/427259519.db2.gz FBSCDECBBZOXEA-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338323587 427259523 /nfs/dbraw/zinc/25/95/23/427259523.db2.gz FBSCDECBBZOXEA-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCCC1 ZINC000255494702 427272287 /nfs/dbraw/zinc/27/22/87/427272287.db2.gz UTQBVNCQPNKFNV-TWGQIWQCSA-N 1 2 323.440 2.928 20 30 DFEDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000338351842 427273167 /nfs/dbraw/zinc/27/31/67/427273167.db2.gz CPERAEXKNMDGOU-RYUDHWBXSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(C#N)cc1 ZINC000338355287 427273301 /nfs/dbraw/zinc/27/33/01/427273301.db2.gz HPZVBCOWZYBBJN-SECBINFHSA-N 1 2 310.279 2.897 20 30 DFEDLO CCC[NH+]1CCC(NC(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000330758943 427300955 /nfs/dbraw/zinc/30/09/55/427300955.db2.gz FRDIQTBWKMVKDM-UHFFFAOYSA-N 1 2 316.323 2.989 20 30 DFEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000330792812 427304644 /nfs/dbraw/zinc/30/46/44/427304644.db2.gz DPUJOBXUYGCZIQ-ZDUSSCGKSA-N 1 2 307.394 2.637 20 30 DFEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000330792812 427304653 /nfs/dbraw/zinc/30/46/53/427304653.db2.gz DPUJOBXUYGCZIQ-ZDUSSCGKSA-N 1 2 307.394 2.637 20 30 DFEDLO CCC(O)(CC)CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000331017810 427327848 /nfs/dbraw/zinc/32/78/48/427327848.db2.gz VRSISIBMIWMPCY-LSDHHAIUSA-N 1 2 322.453 2.621 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000285784377 427338117 /nfs/dbraw/zinc/33/81/17/427338117.db2.gz UHVIXRVIRZQJMG-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000285784377 427338121 /nfs/dbraw/zinc/33/81/21/427338121.db2.gz UHVIXRVIRZQJMG-INIZCTEOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000331226165 427375448 /nfs/dbraw/zinc/37/54/48/427375448.db2.gz NGPCESNOTUPQCY-AWEZNQCLSA-N 1 2 319.405 2.511 20 30 DFEDLO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000331250385 427380736 /nfs/dbraw/zinc/38/07/36/427380736.db2.gz YRWFKFOIBFYXQB-MRVPVSSYSA-N 1 2 303.189 2.955 20 30 DFEDLO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000331250385 427380741 /nfs/dbraw/zinc/38/07/41/427380741.db2.gz YRWFKFOIBFYXQB-MRVPVSSYSA-N 1 2 303.189 2.955 20 30 DFEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000331354028 427401772 /nfs/dbraw/zinc/40/17/72/427401772.db2.gz PIODELSGFTVFCT-IACUBPJLSA-N 1 2 301.390 2.687 20 30 DFEDLO Cc1cc(C)c(NC(=O)N(CCO)[C@@H]2CCCSC2)c(C)[nH+]1 ZINC000331352315 427402130 /nfs/dbraw/zinc/40/21/30/427402130.db2.gz ZIIJXYICSISWSI-CQSZACIVSA-N 1 2 323.462 2.742 20 30 DFEDLO CCC(=O)CCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000331351965 427402472 /nfs/dbraw/zinc/40/24/72/427402472.db2.gz ZCXKNOXPRRAVAD-UHFFFAOYSA-N 1 2 309.454 2.610 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000297443230 427403838 /nfs/dbraw/zinc/40/38/38/427403838.db2.gz BATWRYFVBPELDC-MAUKXSAKSA-N 1 2 322.412 2.657 20 30 DFEDLO CC#CCN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297572492 427413336 /nfs/dbraw/zinc/41/33/36/427413336.db2.gz LIVQPSTXLUIDAQ-UHFFFAOYSA-N 1 2 316.792 2.690 20 30 DFEDLO Cn1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1C#N ZINC000191492645 427361243 /nfs/dbraw/zinc/36/12/43/427361243.db2.gz STEBBEPJWCAJAC-IBGZPJMESA-N 1 2 309.413 2.730 20 30 DFEDLO Cn1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1C#N ZINC000191492645 427361248 /nfs/dbraw/zinc/36/12/48/427361248.db2.gz STEBBEPJWCAJAC-IBGZPJMESA-N 1 2 309.413 2.730 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000285887229 427365960 /nfs/dbraw/zinc/36/59/60/427365960.db2.gz ZURAAQOEUYXTAA-OAHLLOKOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000285887229 427365966 /nfs/dbraw/zinc/36/59/66/427365966.db2.gz ZURAAQOEUYXTAA-OAHLLOKOSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cccc(C#N)c2)s1 ZINC000183966112 427367187 /nfs/dbraw/zinc/36/71/87/427367187.db2.gz DDXRKLLBHLCHKS-UHFFFAOYSA-N 1 2 314.414 2.787 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000191771973 427422257 /nfs/dbraw/zinc/42/22/57/427422257.db2.gz VBUUYFZLAGXECU-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cn1 ZINC000191771973 427422261 /nfs/dbraw/zinc/42/22/61/427422261.db2.gz VBUUYFZLAGXECU-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO N#Cc1sc(N2CC[NH+](Cc3ccco3)CC2)nc1Cl ZINC000286135105 427434789 /nfs/dbraw/zinc/43/47/89/427434789.db2.gz NDCYZQYUBJWBJV-UHFFFAOYSA-N 1 2 308.794 2.583 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000338914846 427554406 /nfs/dbraw/zinc/55/44/06/427554406.db2.gz UNKGPYIIIXWIPK-UHFFFAOYSA-N 1 2 320.440 2.833 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnnn1-c1ccccc1 ZINC000192183141 427498250 /nfs/dbraw/zinc/49/82/50/427498250.db2.gz VSEYGAMHZMDWID-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)NCc1c[nH+]ccc1OC ZINC000298060664 427513868 /nfs/dbraw/zinc/51/38/68/427513868.db2.gz UFAWZUNKEYTUSQ-UHFFFAOYSA-N 1 2 315.373 2.624 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000298107878 427522522 /nfs/dbraw/zinc/52/25/22/427522522.db2.gz JJEYCNGTEYQFRY-UHFFFAOYSA-N 1 2 310.397 2.764 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000298107878 427522527 /nfs/dbraw/zinc/52/25/27/427522527.db2.gz JJEYCNGTEYQFRY-UHFFFAOYSA-N 1 2 310.397 2.764 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc1 ZINC000338881665 427535259 /nfs/dbraw/zinc/53/52/59/427535259.db2.gz HHBMDZDBVKUSJO-UHFFFAOYSA-N 1 2 324.403 2.977 20 30 DFEDLO C=C(Cl)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279044237 427538754 /nfs/dbraw/zinc/53/87/54/427538754.db2.gz XLFYGTVTKIGYIH-UHFFFAOYSA-N 1 2 322.840 2.861 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000271449584 427542240 /nfs/dbraw/zinc/54/22/40/427542240.db2.gz NUNWODCTRCOJTO-UHFFFAOYSA-N 1 2 309.753 2.837 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000271449584 427542243 /nfs/dbraw/zinc/54/22/43/427542243.db2.gz NUNWODCTRCOJTO-UHFFFAOYSA-N 1 2 309.753 2.837 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cn2ccccc12 ZINC000332212243 427548169 /nfs/dbraw/zinc/54/81/69/427548169.db2.gz JYNRXPYUGIWNDZ-HNNXBMFYSA-N 1 2 323.318 2.700 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cn2ccccc12 ZINC000332212243 427548178 /nfs/dbraw/zinc/54/81/78/427548178.db2.gz JYNRXPYUGIWNDZ-HNNXBMFYSA-N 1 2 323.318 2.700 20 30 DFEDLO C[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1cccc(C#N)c1 ZINC000338907919 427549919 /nfs/dbraw/zinc/54/99/19/427549919.db2.gz NAYRRMKRMSQMJB-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1cccc(C#N)c1 ZINC000338907919 427549928 /nfs/dbraw/zinc/54/99/28/427549928.db2.gz NAYRRMKRMSQMJB-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000339009147 427621497 /nfs/dbraw/zinc/62/14/97/427621497.db2.gz IEQFLFMWIXVESE-RDBSUJKOSA-N 1 2 306.410 2.927 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000339009147 427621501 /nfs/dbraw/zinc/62/15/01/427621501.db2.gz IEQFLFMWIXVESE-RDBSUJKOSA-N 1 2 306.410 2.927 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338921316 427560208 /nfs/dbraw/zinc/56/02/08/427560208.db2.gz TVVAXMRPGNZGDW-WFASDCNBSA-N 1 2 314.389 2.549 20 30 DFEDLO N#CCC[N@H+](CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610797 427573598 /nfs/dbraw/zinc/57/35/98/427573598.db2.gz ZUSXQSGFGBVRCI-SFHVURJKSA-N 1 2 322.412 2.679 20 30 DFEDLO N#CCC[N@@H+](CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192610797 427573603 /nfs/dbraw/zinc/57/36/03/427573603.db2.gz ZUSXQSGFGBVRCI-SFHVURJKSA-N 1 2 322.412 2.679 20 30 DFEDLO CCOC1(C)CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000298336683 427576082 /nfs/dbraw/zinc/57/60/82/427576082.db2.gz RXZLIDUZAYPWPB-INIZCTEOSA-N 1 2 316.401 2.663 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000263810981 427579086 /nfs/dbraw/zinc/57/90/86/427579086.db2.gz XULYPRLABQRNEH-CQSZACIVSA-N 1 2 320.458 2.608 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000263810981 427579087 /nfs/dbraw/zinc/57/90/87/427579087.db2.gz XULYPRLABQRNEH-CQSZACIVSA-N 1 2 320.458 2.608 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC000338955010 427587562 /nfs/dbraw/zinc/58/75/62/427587562.db2.gz CQBYKIVFGQSPFE-WFASDCNBSA-N 1 2 311.809 2.605 20 30 DFEDLO C[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287395650 427597805 /nfs/dbraw/zinc/59/78/05/427597805.db2.gz RNYYSXJPFIIBJG-NSHDSACASA-N 1 2 323.234 2.914 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263888790 427603764 /nfs/dbraw/zinc/60/37/64/427603764.db2.gz ZDJUYXHALMHAKF-UHFFFAOYSA-N 1 2 311.385 2.714 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSCC[C@H]2C)c(C#N)c1C ZINC000279287432 427628255 /nfs/dbraw/zinc/62/82/55/427628255.db2.gz PASJFMVEGHJVEV-SNVBAGLBSA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSCC[C@H]2C)c(C#N)c1C ZINC000279287432 427628261 /nfs/dbraw/zinc/62/82/61/427628261.db2.gz PASJFMVEGHJVEV-SNVBAGLBSA-N 1 2 307.419 2.534 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1cc(C#N)ccc1F ZINC000264089390 427656167 /nfs/dbraw/zinc/65/61/67/427656167.db2.gz PVCODXRXUOJPMP-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(C#N)ccc1F ZINC000264089390 427656173 /nfs/dbraw/zinc/65/61/73/427656173.db2.gz PVCODXRXUOJPMP-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000193058540 427658470 /nfs/dbraw/zinc/65/84/70/427658470.db2.gz BOSNMQSDZVQDPJ-UHFFFAOYSA-N 1 2 311.389 2.896 20 30 DFEDLO Cc1cc(C#N)nc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000333678490 427673172 /nfs/dbraw/zinc/67/31/72/427673172.db2.gz KOFNBRIMTIRIGD-HDJSIYSDSA-N 1 2 308.389 2.887 20 30 DFEDLO C=CC[N@H+](C[C@@H]1CCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000339107882 427676002 /nfs/dbraw/zinc/67/60/02/427676002.db2.gz KJYRVEMHIFIKNH-ZWKOTPCHSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[N@@H+](C[C@@H]1CCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000339107882 427676009 /nfs/dbraw/zinc/67/60/09/427676009.db2.gz KJYRVEMHIFIKNH-ZWKOTPCHSA-N 1 2 317.429 2.828 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287723530 427679930 /nfs/dbraw/zinc/67/99/30/427679930.db2.gz KEODAICNNGYCKF-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287723530 427679936 /nfs/dbraw/zinc/67/99/36/427679936.db2.gz KEODAICNNGYCKF-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CCS(=O)(=O)c1ccccc1 ZINC000272241970 427682983 /nfs/dbraw/zinc/68/29/83/427682983.db2.gz GUUBJQVXRCFRKM-UHFFFAOYSA-N 1 2 319.426 2.784 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CCS(=O)(=O)c1ccccc1 ZINC000272241970 427682988 /nfs/dbraw/zinc/68/29/88/427682988.db2.gz GUUBJQVXRCFRKM-UHFFFAOYSA-N 1 2 319.426 2.784 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000287735059 427682201 /nfs/dbraw/zinc/68/22/01/427682201.db2.gz KWINGPKFDFRKIG-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000287735059 427682205 /nfs/dbraw/zinc/68/22/05/427682205.db2.gz KWINGPKFDFRKIG-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1sccc1C#N ZINC000272280975 427695793 /nfs/dbraw/zinc/69/57/93/427695793.db2.gz MTVAKIMLPMXONF-UHFFFAOYSA-N 1 2 315.398 2.882 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1sccc1C#N ZINC000272280975 427695796 /nfs/dbraw/zinc/69/57/96/427695796.db2.gz MTVAKIMLPMXONF-UHFFFAOYSA-N 1 2 315.398 2.882 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000299298059 427764298 /nfs/dbraw/zinc/76/42/98/427764298.db2.gz NABSOJNJVDVYBZ-LBPRGKRZSA-N 1 2 303.337 2.931 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000299425288 427765525 /nfs/dbraw/zinc/76/55/25/427765525.db2.gz GPXFIDQFGJNUFO-CQSZACIVSA-N 1 2 306.406 2.647 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)OCC ZINC000339214157 427735172 /nfs/dbraw/zinc/73/51/72/427735172.db2.gz ALPICZKJKURTNC-QGZVFWFLSA-N 1 2 313.401 2.860 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CCC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339277368 427747621 /nfs/dbraw/zinc/74/76/21/427747621.db2.gz ZDNMIRZPSBEPOC-SJORKVTESA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CCC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339277368 427747623 /nfs/dbraw/zinc/74/76/23/427747623.db2.gz ZDNMIRZPSBEPOC-SJORKVTESA-N 1 2 323.481 2.664 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cn1 ZINC000301465761 427797614 /nfs/dbraw/zinc/79/76/14/427797614.db2.gz LLSMAUJDQFEPDO-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc(C)cs2)C1=O ZINC000337121434 427801643 /nfs/dbraw/zinc/80/16/43/427801643.db2.gz AJWRWLATNIVTAO-KBPBESRZSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc(C)cs2)C1=O ZINC000337121434 427801645 /nfs/dbraw/zinc/80/16/45/427801645.db2.gz AJWRWLATNIVTAO-KBPBESRZSA-N 1 2 305.447 2.765 20 30 DFEDLO Cc1cc2ccccc2[nH+]c1NCCCc1[nH]nc(N)c1C#N ZINC000301547027 427804355 /nfs/dbraw/zinc/80/43/55/427804355.db2.gz FIVGVRHCGRMYMU-UHFFFAOYSA-N 1 2 306.373 2.765 20 30 DFEDLO CCc1nnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C#N)c1CC ZINC000301630739 427811020 /nfs/dbraw/zinc/81/10/20/427811020.db2.gz IUJHMQGFBDAVHC-CQSZACIVSA-N 1 2 323.400 2.526 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000339755788 427823133 /nfs/dbraw/zinc/82/31/33/427823133.db2.gz XQZXGFHELGUMOA-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000339755788 427823135 /nfs/dbraw/zinc/82/31/35/427823135.db2.gz XQZXGFHELGUMOA-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO COCCCOC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301775481 427823468 /nfs/dbraw/zinc/82/34/68/427823468.db2.gz LDWUOQIJAIMSHV-UHFFFAOYSA-N 1 2 303.406 2.592 20 30 DFEDLO Cc1cc(NCC2(C(=O)N(C)C)CCCC2)c(C#N)c(C)[nH+]1 ZINC000301797884 427824911 /nfs/dbraw/zinc/82/49/11/427824911.db2.gz UPDOVYWPWUUOMU-UHFFFAOYSA-N 1 2 300.406 2.631 20 30 DFEDLO Cc1cc(NCCNC(=O)CC2CCCC2)c(C#N)c(C)[nH+]1 ZINC000301798457 427825443 /nfs/dbraw/zinc/82/54/43/427825443.db2.gz UTNLJYHDYHPOIY-UHFFFAOYSA-N 1 2 300.406 2.679 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339775036 427827529 /nfs/dbraw/zinc/82/75/29/427827529.db2.gz IIUVXHYRHUTMTP-QGZVFWFLSA-N 1 2 300.402 2.958 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339775036 427827531 /nfs/dbraw/zinc/82/75/31/427827531.db2.gz IIUVXHYRHUTMTP-QGZVFWFLSA-N 1 2 300.402 2.958 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000337282846 427831243 /nfs/dbraw/zinc/83/12/43/427831243.db2.gz IPMWZBWMMCSWSY-UHFFFAOYSA-N 1 2 300.406 2.888 20 30 DFEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349737568 427853037 /nfs/dbraw/zinc/85/30/37/427853037.db2.gz IOKGXCWXLPJTDR-WMLDXEAASA-N 1 2 318.421 2.967 20 30 DFEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349737568 427853039 /nfs/dbraw/zinc/85/30/39/427853039.db2.gz IOKGXCWXLPJTDR-WMLDXEAASA-N 1 2 318.421 2.967 20 30 DFEDLO N#Cc1cc(NCc2ccc(N)[nH+]c2)nc2ccc([N+](=O)[O-])cc12 ZINC000302765676 427867658 /nfs/dbraw/zinc/86/76/58/427867658.db2.gz LNSUAKVQIOCSGX-UHFFFAOYSA-N 1 2 320.312 2.604 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1[nH+]ccn1C ZINC000339911280 427870692 /nfs/dbraw/zinc/87/06/92/427870692.db2.gz GWLIZHIRXDHODH-UHFFFAOYSA-N 1 2 310.382 2.745 20 30 DFEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000302879041 427885334 /nfs/dbraw/zinc/88/53/34/427885334.db2.gz HKIKRHOURRCEOC-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO N#CC1(C[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000359541482 427899767 /nfs/dbraw/zinc/89/97/67/427899767.db2.gz RBZDGMUFWVPNPX-CYBMUJFWSA-N 1 2 309.207 2.766 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)OCC ZINC000337588236 427970999 /nfs/dbraw/zinc/97/09/99/427970999.db2.gz LVZQCVZVKUBTIG-IRXDYDNUSA-N 1 2 320.408 2.670 20 30 DFEDLO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000359685030 427973117 /nfs/dbraw/zinc/97/31/17/427973117.db2.gz YXYCEZDITAZYOV-DOMZBBRYSA-N 1 2 305.422 2.743 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337596176 427974120 /nfs/dbraw/zinc/97/41/20/427974120.db2.gz BBLBZILTJKVYJD-MRXNPFEDSA-N 1 2 313.376 2.600 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000345848261 427930646 /nfs/dbraw/zinc/93/06/46/427930646.db2.gz ACKBYNSFLMJNNN-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000345848261 427930650 /nfs/dbraw/zinc/93/06/50/427930650.db2.gz ACKBYNSFLMJNNN-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)cc1Cl ZINC000337504509 427935891 /nfs/dbraw/zinc/93/58/91/427935891.db2.gz NWBGWHMURHRDGA-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)cc1Cl ZINC000337504509 427935896 /nfs/dbraw/zinc/93/58/96/427935896.db2.gz NWBGWHMURHRDGA-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO CCCCCCCCOCC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369647574 428024694 /nfs/dbraw/zinc/02/46/94/428024694.db2.gz KEDAEDUJIMTXET-INIZCTEOSA-N 1 2 321.465 2.939 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346151300 428039594 /nfs/dbraw/zinc/03/95/94/428039594.db2.gz DZUWOAFZJKCTGN-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO CN(C)c1nccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000341134391 427999265 /nfs/dbraw/zinc/99/92/65/427999265.db2.gz KFFVLDNPZRJMML-QZTJIDSGSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1nccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000341134391 427999268 /nfs/dbraw/zinc/99/92/68/427999268.db2.gz KFFVLDNPZRJMML-QZTJIDSGSA-N 1 2 321.428 2.814 20 30 DFEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356065776 428006941 /nfs/dbraw/zinc/00/69/41/428006941.db2.gz POLJWSXZIPJCTN-UHFFFAOYSA-N 1 2 313.323 2.533 20 30 DFEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356065776 428006948 /nfs/dbraw/zinc/00/69/48/428006948.db2.gz POLJWSXZIPJCTN-UHFFFAOYSA-N 1 2 313.323 2.533 20 30 DFEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccn1 ZINC000341396690 428061353 /nfs/dbraw/zinc/06/13/53/428061353.db2.gz YRWMBTHMFAOWAF-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=C(C)COc1cc(C[NH+]2CC(n3cccn3)C2)ccc1OC ZINC000369777546 428061676 /nfs/dbraw/zinc/06/16/76/428061676.db2.gz KIXHWYXSUQFSEV-UHFFFAOYSA-N 1 2 313.401 2.904 20 30 DFEDLO C[C@H](CC#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369848127 428075967 /nfs/dbraw/zinc/07/59/67/428075967.db2.gz SBALWLFXLZKTKF-HIFRSBDPSA-N 1 2 308.385 2.531 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000351494166 428093719 /nfs/dbraw/zinc/09/37/19/428093719.db2.gz NQBLVYYDFNICPK-CQSZACIVSA-N 1 2 314.433 2.745 20 30 DFEDLO N#Cc1csc(CN2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000356318549 428123567 /nfs/dbraw/zinc/12/35/67/428123567.db2.gz LSGGYQANESGLNZ-UHFFFAOYSA-N 1 2 315.446 2.904 20 30 DFEDLO Cc1ccn2cc(CNC(=O)[C@@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000360025537 428123695 /nfs/dbraw/zinc/12/36/95/428123695.db2.gz QZYVEOSNOPFRPQ-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488437 428222015 /nfs/dbraw/zinc/22/20/15/428222015.db2.gz PFVRCYXACJTKNZ-IRXDYDNUSA-N 1 2 315.392 2.964 20 30 DFEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488437 428222021 /nfs/dbraw/zinc/22/20/21/428222021.db2.gz PFVRCYXACJTKNZ-IRXDYDNUSA-N 1 2 315.392 2.964 20 30 DFEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000341764182 428188331 /nfs/dbraw/zinc/18/83/31/428188331.db2.gz 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/nfs/dbraw/zinc/33/13/31/428331331.db2.gz HNYREDNJGZDJMP-NSHDSACASA-N 1 2 307.344 2.520 20 30 DFEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346819836 428331334 /nfs/dbraw/zinc/33/13/34/428331334.db2.gz HNYREDNJGZDJMP-NSHDSACASA-N 1 2 307.344 2.520 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378260798 428348860 /nfs/dbraw/zinc/34/88/60/428348860.db2.gz IMLCIVVTMZBLNW-CQSZACIVSA-N 1 2 309.373 2.622 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371471022 428391087 /nfs/dbraw/zinc/39/10/87/428391087.db2.gz QGUREZBFXBKZAB-CXAGYDPISA-N 1 2 309.394 2.594 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371471022 428391091 /nfs/dbraw/zinc/39/10/91/428391091.db2.gz QGUREZBFXBKZAB-CXAGYDPISA-N 1 2 309.394 2.594 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000346905271 428366336 /nfs/dbraw/zinc/36/63/36/428366336.db2.gz CELBTRDNEZRHGV-RDJZCZTQSA-N 1 2 319.449 2.665 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357031019 428370439 /nfs/dbraw/zinc/37/04/39/428370439.db2.gz YQLRTKIDNXDMGC-HNNXBMFYSA-N 1 2 323.396 2.990 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357031019 428370443 /nfs/dbraw/zinc/37/04/43/428370443.db2.gz YQLRTKIDNXDMGC-HNNXBMFYSA-N 1 2 323.396 2.990 20 30 DFEDLO CC[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000346919798 428371633 /nfs/dbraw/zinc/37/16/33/428371633.db2.gz WEEIPQIEMRANCA-JTQLQIEISA-N 1 2 323.278 2.576 20 30 DFEDLO C=CCOc1cccnc1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000342371502 428421330 /nfs/dbraw/zinc/42/13/30/428421330.db2.gz KUQBOJDSDCEXKR-UHFFFAOYSA-N 1 2 322.368 2.533 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ccc(Br)cc1C#N ZINC000347247513 428509716 /nfs/dbraw/zinc/50/97/16/428509716.db2.gz KVGAESGMRVOMGM-UHFFFAOYSA-N 1 2 309.207 2.955 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ccc(Br)cc1C#N ZINC000347247513 428509720 /nfs/dbraw/zinc/50/97/20/428509720.db2.gz KVGAESGMRVOMGM-UHFFFAOYSA-N 1 2 309.207 2.955 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000360959395 428510307 /nfs/dbraw/zinc/51/03/07/428510307.db2.gz FOQZFMLHYSCKBR-MAUKXSAKSA-N 1 2 305.385 2.732 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000360959395 428510312 /nfs/dbraw/zinc/51/03/12/428510312.db2.gz FOQZFMLHYSCKBR-MAUKXSAKSA-N 1 2 305.385 2.732 20 30 DFEDLO Cc1nc(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n[nH]1 ZINC000360875429 428474011 /nfs/dbraw/zinc/47/40/11/428474011.db2.gz WRQSGRDZUYSZHB-UHFFFAOYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nnc(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000360875429 428474016 /nfs/dbraw/zinc/47/40/16/428474016.db2.gz WRQSGRDZUYSZHB-UHFFFAOYSA-N 1 2 314.820 2.998 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3cccnc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000357305799 428475876 /nfs/dbraw/zinc/47/58/76/428475876.db2.gz AALNUFQBZUSJBC-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361626238 428583407 /nfs/dbraw/zinc/58/34/07/428583407.db2.gz XFJNGUBSRSRENH-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361626238 428583411 /nfs/dbraw/zinc/58/34/11/428583411.db2.gz XFJNGUBSRSRENH-CRAIPNDOSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@@H](C)[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000347493215 428590115 /nfs/dbraw/zinc/59/01/15/428590115.db2.gz WPFQUGZYMFTMSO-CVEARBPZSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000347493215 428590118 /nfs/dbraw/zinc/59/01/18/428590118.db2.gz WPFQUGZYMFTMSO-CVEARBPZSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493215 428590122 /nfs/dbraw/zinc/59/01/22/428590122.db2.gz WPFQUGZYMFTMSO-CVEARBPZSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@@H](C)[C@@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493215 428590127 /nfs/dbraw/zinc/59/01/27/428590127.db2.gz WPFQUGZYMFTMSO-CVEARBPZSA-N 1 2 300.450 2.626 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000353550608 428590726 /nfs/dbraw/zinc/59/07/26/428590726.db2.gz RMJWURCETQEKNT-LBPRGKRZSA-N 1 2 313.336 2.832 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000353464813 428548482 /nfs/dbraw/zinc/54/84/82/428548482.db2.gz VKSBCFIZWBYHBD-HZPDHXFCSA-N 1 2 301.434 2.904 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000353464813 428548485 /nfs/dbraw/zinc/54/84/85/428548485.db2.gz VKSBCFIZWBYHBD-HZPDHXFCSA-N 1 2 301.434 2.904 20 30 DFEDLO N#CC1(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000361455970 428571737 /nfs/dbraw/zinc/57/17/37/428571737.db2.gz DWCKWSCGYAWNDQ-LLVKDONJSA-N 1 2 300.280 2.512 20 30 DFEDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000344125107 428624989 /nfs/dbraw/zinc/62/49/89/428624989.db2.gz QVXYGEJYFZJQGY-UHFFFAOYSA-N 1 2 322.412 2.695 20 30 DFEDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000344125107 428624996 /nfs/dbraw/zinc/62/49/96/428624996.db2.gz QVXYGEJYFZJQGY-UHFFFAOYSA-N 1 2 322.412 2.695 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000353636204 428632626 /nfs/dbraw/zinc/63/26/26/428632626.db2.gz FNFBOPHBAUXQLH-UHFFFAOYSA-N 1 2 312.417 2.982 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000353636204 428632628 /nfs/dbraw/zinc/63/26/28/428632628.db2.gz FNFBOPHBAUXQLH-UHFFFAOYSA-N 1 2 312.417 2.982 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccccc1 ZINC000348230350 428669483 /nfs/dbraw/zinc/66/94/83/428669483.db2.gz OAWXVYWAJYSRNA-IBGZPJMESA-N 1 2 316.445 2.795 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccccc1 ZINC000348230350 428669486 /nfs/dbraw/zinc/66/94/86/428669486.db2.gz OAWXVYWAJYSRNA-IBGZPJMESA-N 1 2 316.445 2.795 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000362378770 428725312 /nfs/dbraw/zinc/72/53/12/428725312.db2.gz GVOICNYBYOBPJC-QWHCGFSZSA-N 1 2 323.387 2.803 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000362378770 428725317 /nfs/dbraw/zinc/72/53/17/428725317.db2.gz GVOICNYBYOBPJC-QWHCGFSZSA-N 1 2 323.387 2.803 20 30 DFEDLO C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344690658 428694294 /nfs/dbraw/zinc/69/42/94/428694294.db2.gz SBMYYDKWKSWUOZ-MAUKXSAKSA-N 1 2 311.429 2.639 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411197969 428756009 /nfs/dbraw/zinc/75/60/09/428756009.db2.gz XDPFUHGTHFUZQR-UONOGXRCSA-N 1 2 319.405 2.886 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411197969 428756012 /nfs/dbraw/zinc/75/60/12/428756012.db2.gz XDPFUHGTHFUZQR-UONOGXRCSA-N 1 2 319.405 2.886 20 30 DFEDLO C=CC[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411372303 428783992 /nfs/dbraw/zinc/78/39/92/428783992.db2.gz URDZKUNPKPPISX-HNNXBMFYSA-N 1 2 310.463 2.526 20 30 DFEDLO C=CC[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411372303 428783996 /nfs/dbraw/zinc/78/39/96/428783996.db2.gz URDZKUNPKPPISX-HNNXBMFYSA-N 1 2 310.463 2.526 20 30 DFEDLO N#CC1(CC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411366519 428784344 /nfs/dbraw/zinc/78/43/44/428784344.db2.gz FFHSQOOPRFFAOS-OAHLLOKOSA-N 1 2 310.463 2.502 20 30 DFEDLO N#CC1(CC[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411366519 428784352 /nfs/dbraw/zinc/78/43/52/428784352.db2.gz FFHSQOOPRFFAOS-OAHLLOKOSA-N 1 2 310.463 2.502 20 30 DFEDLO C[C@@H](NC(=O)NCC(C)(C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000353827261 428737469 /nfs/dbraw/zinc/73/74/69/428737469.db2.gz NTWMTPFDKUOGLU-CYBMUJFWSA-N 1 2 311.389 2.782 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000353958961 428794099 /nfs/dbraw/zinc/79/40/99/428794099.db2.gz IIAMJDGDHFFBKP-UHFFFAOYSA-N 1 2 310.401 2.899 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000353958961 428794103 /nfs/dbraw/zinc/79/41/03/428794103.db2.gz IIAMJDGDHFFBKP-UHFFFAOYSA-N 1 2 310.401 2.899 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000362679323 428798638 /nfs/dbraw/zinc/79/86/38/428798638.db2.gz JRFDDLHRPZVKQB-KGLIPLIRSA-N 1 2 303.406 2.776 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353979435 428801832 /nfs/dbraw/zinc/80/18/32/428801832.db2.gz CNNMBXWOYYPBMC-IBGZPJMESA-N 1 2 321.380 2.809 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C1CCOCC1 ZINC000411527744 428811326 /nfs/dbraw/zinc/81/13/26/428811326.db2.gz QVGBNOIMVCWOCZ-INIZCTEOSA-N 1 2 322.449 2.798 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc(C#N)[nH]2)n1 ZINC000359095556 428814144 /nfs/dbraw/zinc/81/41/44/428814144.db2.gz VETRCNRNLUYPHH-UHFFFAOYSA-N 1 2 318.340 2.897 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CC3(C2)CCCCC3)c1 ZINC000375176865 428817387 /nfs/dbraw/zinc/81/73/87/428817387.db2.gz BLVUTAZAAPKUMZ-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO N#Cc1cc2c(nc1NCc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000363109351 428859055 /nfs/dbraw/zinc/85/90/55/428859055.db2.gz QWCRHTQTXUHKAR-UHFFFAOYSA-N 1 2 316.368 2.635 20 30 DFEDLO C=CCc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(OC)c1 ZINC000418830250 428921264 /nfs/dbraw/zinc/92/12/64/428921264.db2.gz TYFAQFVVPAMSIC-IYBDPMFKSA-N 1 2 303.402 2.666 20 30 DFEDLO C=CCc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(OC)c1 ZINC000418830250 428921272 /nfs/dbraw/zinc/92/12/72/428921272.db2.gz TYFAQFVVPAMSIC-IYBDPMFKSA-N 1 2 303.402 2.666 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)no1 ZINC000363466765 428924073 /nfs/dbraw/zinc/92/40/73/428924073.db2.gz DIYJBHMTBMRBOT-AWEZNQCLSA-N 1 2 312.373 2.720 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)no1 ZINC000363466765 428924078 /nfs/dbraw/zinc/92/40/78/428924078.db2.gz DIYJBHMTBMRBOT-AWEZNQCLSA-N 1 2 312.373 2.720 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000412048708 428927584 /nfs/dbraw/zinc/92/75/84/428927584.db2.gz XFLCXWOUKRASEW-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000412048708 428927590 /nfs/dbraw/zinc/92/75/90/428927590.db2.gz XFLCXWOUKRASEW-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000412048708 428927594 /nfs/dbraw/zinc/92/75/94/428927594.db2.gz XFLCXWOUKRASEW-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000412048708 428927600 /nfs/dbraw/zinc/92/76/00/428927600.db2.gz XFLCXWOUKRASEW-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349237997 428942929 /nfs/dbraw/zinc/94/29/29/428942929.db2.gz JIHJYJPSXLDNDL-SJLPKXTDSA-N 1 2 320.477 2.857 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349237997 428942933 /nfs/dbraw/zinc/94/29/33/428942933.db2.gz JIHJYJPSXLDNDL-SJLPKXTDSA-N 1 2 320.477 2.857 20 30 DFEDLO CN(CC#Cc1cccc(Cl)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000412095738 428953427 /nfs/dbraw/zinc/95/34/27/428953427.db2.gz MKIHSXAOCQQYAZ-UHFFFAOYSA-N 1 2 320.864 2.734 20 30 DFEDLO CC1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)CC[S@@]1=O ZINC000451760355 428968368 /nfs/dbraw/zinc/96/83/68/428968368.db2.gz TTXADKXHYMAIHO-FQEVSTJZSA-N 1 2 309.862 2.925 20 30 DFEDLO CC1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)CC[S@@]1=O ZINC000451760355 428968373 /nfs/dbraw/zinc/96/83/73/428968373.db2.gz TTXADKXHYMAIHO-FQEVSTJZSA-N 1 2 309.862 2.925 20 30 DFEDLO Cc1nsc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1C#N ZINC000421118333 428981572 /nfs/dbraw/zinc/98/15/72/428981572.db2.gz YYUHQBXVNJPWMH-UHFFFAOYSA-N 1 2 301.375 2.657 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000354409462 428982002 /nfs/dbraw/zinc/98/20/02/428982002.db2.gz XBFBTAUEYFGJER-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000354409462 428982009 /nfs/dbraw/zinc/98/20/09/428982009.db2.gz XBFBTAUEYFGJER-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000421323023 428988940 /nfs/dbraw/zinc/98/89/40/428988940.db2.gz FRZJTWJDABCSAE-LBPRGKRZSA-N 1 2 313.380 2.866 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(C2CC2)c1 ZINC000421328684 428989000 /nfs/dbraw/zinc/98/90/00/428989000.db2.gz MHOHHENNGODVEW-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(C2CC2)c1 ZINC000421328684 428989006 /nfs/dbraw/zinc/98/90/06/428989006.db2.gz MHOHHENNGODVEW-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(C2CC2)c1 ZINC000421328684 428989011 /nfs/dbraw/zinc/98/90/11/428989011.db2.gz MHOHHENNGODVEW-UHFFFAOYSA-N 1 2 313.445 2.612 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1Cl ZINC000354473601 428990624 /nfs/dbraw/zinc/99/06/24/428990624.db2.gz GLOVAPHTXNPMMQ-CZUORRHYSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1Cl ZINC000354473601 428990629 /nfs/dbraw/zinc/99/06/29/428990629.db2.gz GLOVAPHTXNPMMQ-CZUORRHYSA-N 1 2 319.836 2.970 20 30 DFEDLO C=CCOCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000354697198 429005249 /nfs/dbraw/zinc/00/52/49/429005249.db2.gz CVICNGGDHAYYME-GFCCVEGCSA-N 1 2 309.435 2.516 20 30 DFEDLO C=CCOCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000354697198 429005252 /nfs/dbraw/zinc/00/52/52/429005252.db2.gz CVICNGGDHAYYME-GFCCVEGCSA-N 1 2 309.435 2.516 20 30 DFEDLO O[C@@H]([C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887838 429007306 /nfs/dbraw/zinc/00/73/06/429007306.db2.gz KKVGJNYZNAZXRH-JSGCOSHPSA-N 1 2 317.738 2.937 20 30 DFEDLO O[C@@H]([C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887838 429007310 /nfs/dbraw/zinc/00/73/10/429007310.db2.gz KKVGJNYZNAZXRH-JSGCOSHPSA-N 1 2 317.738 2.937 20 30 DFEDLO Cc1c(Cl)cnc(NCc2ccc(-n3cc[nH+]c3)nc2)c1C#N ZINC000376345929 429097858 /nfs/dbraw/zinc/09/78/58/429097858.db2.gz BTVUHQYFDIGCDQ-UHFFFAOYSA-N 1 2 324.775 3.108 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000355336878 429039539 /nfs/dbraw/zinc/03/95/39/429039539.db2.gz RMRQZCWTRZJVHO-CYBMUJFWSA-N 1 2 310.401 2.886 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000424135525 429096972 /nfs/dbraw/zinc/09/69/72/429096972.db2.gz JQDTUBFSAHHOJH-BPUTZDHNSA-N 1 2 323.820 2.605 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000435587448 429150755 /nfs/dbraw/zinc/15/07/55/429150755.db2.gz DEGZUUDDCJFTEA-CXAGYDPISA-N 1 2 313.401 3.340 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000435587451 429151443 /nfs/dbraw/zinc/15/14/43/429151443.db2.gz DEGZUUDDCJFTEA-SUMWQHHRSA-N 1 2 313.401 3.340 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000376635569 429153194 /nfs/dbraw/zinc/15/31/94/429153194.db2.gz XFBJTTNDCBSDSY-OAHLLOKOSA-N 1 2 323.400 2.790 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)nn1 ZINC000424175498 429104334 /nfs/dbraw/zinc/10/43/34/429104334.db2.gz UKRRMZNPLWACRH-UHFFFAOYSA-N 1 2 322.416 2.556 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(Br)s2)nn1 ZINC000424175592 429105072 /nfs/dbraw/zinc/10/50/72/429105072.db2.gz VKLDRONCMGTSRE-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)nn1 ZINC000424299558 429122811 /nfs/dbraw/zinc/12/28/11/429122811.db2.gz VORYSHYYLMHZHK-OAHLLOKOSA-N 1 2 302.353 2.607 20 30 DFEDLO Cc1nc(NCc2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000487910676 429173178 /nfs/dbraw/zinc/17/31/78/429173178.db2.gz PAFXWLPKNJMOQV-UHFFFAOYSA-N 1 2 303.369 3.119 20 30 DFEDLO Cc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1C#N ZINC000488171849 429176526 /nfs/dbraw/zinc/17/65/26/429176526.db2.gz ZZDNJJBQDCVANS-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO Cc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1C#N ZINC000488171849 429176528 /nfs/dbraw/zinc/17/65/28/429176528.db2.gz ZZDNJJBQDCVANS-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO Cc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1C#N ZINC000488247576 429178685 /nfs/dbraw/zinc/17/86/85/429178685.db2.gz GSERYUOJRBPRRR-INIZCTEOSA-N 1 2 302.324 2.968 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000488548310 429183972 /nfs/dbraw/zinc/18/39/72/429183972.db2.gz LDMZYEAFVWSMHV-UHFFFAOYSA-N 1 2 315.442 2.694 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000488961452 429209702 /nfs/dbraw/zinc/20/97/02/429209702.db2.gz PHSRJCLCMFABNK-UHFFFAOYSA-N 1 2 306.369 2.790 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364429540 429202577 /nfs/dbraw/zinc/20/25/77/429202577.db2.gz ZYLFRWDULHLHIP-AWEZNQCLSA-N 1 2 324.384 2.743 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455730759 429204165 /nfs/dbraw/zinc/20/41/65/429204165.db2.gz KUQPPXPLLJDGHF-UHFFFAOYSA-N 1 2 317.780 2.944 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1nnc(CCCC)s1 ZINC000489440254 429242995 /nfs/dbraw/zinc/24/29/95/429242995.db2.gz BEYVAMXMFJBMAY-LBPRGKRZSA-N 1 2 308.451 2.860 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nnc(CCCC)s1 ZINC000489440254 429242998 /nfs/dbraw/zinc/24/29/98/429242998.db2.gz BEYVAMXMFJBMAY-LBPRGKRZSA-N 1 2 308.451 2.860 20 30 DFEDLO COc1ccc(C[C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425234559 429248135 /nfs/dbraw/zinc/24/81/35/429248135.db2.gz XUKYCSHVVXVUDP-CYBMUJFWSA-N 1 2 311.385 2.744 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C(=O)OCC ZINC000489502995 429248740 /nfs/dbraw/zinc/24/87/40/429248740.db2.gz XAHWHLYYDXYHGK-LBPRGKRZSA-N 1 2 322.430 2.904 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C(=O)OCC ZINC000489502995 429248743 /nfs/dbraw/zinc/24/87/43/429248743.db2.gz XAHWHLYYDXYHGK-LBPRGKRZSA-N 1 2 322.430 2.904 20 30 DFEDLO COc1cccc(N2CCC[C@H](Nc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425241031 429249466 /nfs/dbraw/zinc/24/94/66/429249466.db2.gz ZSIUJVXJFRBZAI-INIZCTEOSA-N 1 2 322.412 2.773 20 30 DFEDLO C=CCn1cc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)nn1 ZINC000425265274 429254451 /nfs/dbraw/zinc/25/44/51/429254451.db2.gz UKAZWLFOLIQWHA-UHFFFAOYSA-N 1 2 300.410 3.113 20 30 DFEDLO Cc1cc(N2CCC(OCCOC(C)C)CC2)c(C#N)c[nH+]1 ZINC000425267723 429255195 /nfs/dbraw/zinc/25/51/95/429255195.db2.gz MEKDNCHPBZNESO-UHFFFAOYSA-N 1 2 303.406 2.672 20 30 DFEDLO C=CCN(CCOC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425282046 429257796 /nfs/dbraw/zinc/25/77/96/429257796.db2.gz MVFWNOOZJBQUBH-MRXNPFEDSA-N 1 2 313.401 2.593 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1 ZINC000425363918 429277962 /nfs/dbraw/zinc/27/79/62/429277962.db2.gz DIANEHRQFHWNLO-LJQANCHMSA-N 1 2 319.408 2.621 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC000425363918 429277965 /nfs/dbraw/zinc/27/79/65/429277965.db2.gz DIANEHRQFHWNLO-LJQANCHMSA-N 1 2 319.408 2.621 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497121658 429318813 /nfs/dbraw/zinc/31/88/13/429318813.db2.gz ADHBPNJGKJWHPY-ONGXEEELSA-N 1 2 319.243 2.740 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497121658 429318820 /nfs/dbraw/zinc/31/88/20/429318820.db2.gz ADHBPNJGKJWHPY-ONGXEEELSA-N 1 2 319.243 2.740 20 30 DFEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(F)c(C#N)c1Cl)CC2 ZINC000365444917 429320251 /nfs/dbraw/zinc/32/02/51/429320251.db2.gz UEDITUVPYMCECB-UHFFFAOYSA-N 1 2 304.756 2.872 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927634 429322285 /nfs/dbraw/zinc/32/22/85/429322285.db2.gz IWQHGRPKSGXBDO-KDOFPFPSSA-N 1 2 312.417 2.628 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Cl)cc1 ZINC000491275380 429343151 /nfs/dbraw/zinc/34/31/51/429343151.db2.gz DJMTVVNGFBTZNL-OAHLLOKOSA-N 1 2 300.793 2.660 20 30 DFEDLO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456743339 429344523 /nfs/dbraw/zinc/34/45/23/429344523.db2.gz FUUJSNBJHXWSAN-IAGOWNOFSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456743339 429344526 /nfs/dbraw/zinc/34/45/26/429344526.db2.gz FUUJSNBJHXWSAN-IAGOWNOFSA-N 1 2 315.417 2.581 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000456421599 429303457 /nfs/dbraw/zinc/30/34/57/429303457.db2.gz NMWKIKSIVIMEEB-SWLSCSKDSA-N 1 2 306.369 2.609 20 30 DFEDLO C#CC[N@@H+](CC)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000490865807 429311129 /nfs/dbraw/zinc/31/11/29/429311129.db2.gz HTQKWQFKZOVICB-UHFFFAOYSA-N 1 2 313.426 2.528 20 30 DFEDLO C#CC[N@H+](CC)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000490865807 429311131 /nfs/dbraw/zinc/31/11/31/429311131.db2.gz HTQKWQFKZOVICB-UHFFFAOYSA-N 1 2 313.426 2.528 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509663 429311809 /nfs/dbraw/zinc/31/18/09/429311809.db2.gz LJKVTEXNIWJAKU-BETUJISGSA-N 1 2 308.328 2.729 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425509663 429311814 /nfs/dbraw/zinc/31/18/14/429311814.db2.gz LJKVTEXNIWJAKU-BETUJISGSA-N 1 2 308.328 2.729 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496495395 429314041 /nfs/dbraw/zinc/31/40/41/429314041.db2.gz UAYJQQICJCCIJG-AWEZNQCLSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000496495395 429314047 /nfs/dbraw/zinc/31/40/47/429314047.db2.gz UAYJQQICJCCIJG-AWEZNQCLSA-N 1 2 319.380 2.798 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425516026 429314224 /nfs/dbraw/zinc/31/42/24/429314224.db2.gz RUTJCUGBFZHMQC-OAHLLOKOSA-N 1 2 300.793 2.620 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425516026 429314228 /nfs/dbraw/zinc/31/42/28/429314228.db2.gz RUTJCUGBFZHMQC-OAHLLOKOSA-N 1 2 300.793 2.620 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)[C@@H]2C1 ZINC000496871498 429316976 /nfs/dbraw/zinc/31/69/76/429316976.db2.gz ANMANKXLLRRUOV-IUODEOHRSA-N 1 2 317.389 2.592 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)[C@@H]2C1 ZINC000496871498 429316981 /nfs/dbraw/zinc/31/69/81/429316981.db2.gz ANMANKXLLRRUOV-IUODEOHRSA-N 1 2 317.389 2.592 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccc(F)cc1 ZINC000491694857 429392778 /nfs/dbraw/zinc/39/27/78/429392778.db2.gz BJIBGEZPBFVDDU-KRWDZBQOSA-N 1 2 308.360 2.949 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2cccc(F)c2)n1 ZINC000491749615 429401676 /nfs/dbraw/zinc/40/16/76/429401676.db2.gz TZBMTQXVYFXWEC-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2cccc(F)c2)n1 ZINC000491749615 429401680 /nfs/dbraw/zinc/40/16/80/429401680.db2.gz TZBMTQXVYFXWEC-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000365934251 429405521 /nfs/dbraw/zinc/40/55/21/429405521.db2.gz NHCITQCQORFASL-UHFFFAOYSA-N 1 2 309.373 2.887 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000365934251 429405524 /nfs/dbraw/zinc/40/55/24/429405524.db2.gz NHCITQCQORFASL-UHFFFAOYSA-N 1 2 309.373 2.887 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000491784652 429408673 /nfs/dbraw/zinc/40/86/73/429408673.db2.gz SUYAVFNSSJTPIY-KRWDZBQOSA-N 1 2 310.401 2.533 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491465137 429362719 /nfs/dbraw/zinc/36/27/19/429362719.db2.gz VHKQBMVLGJLBTG-CYBMUJFWSA-N 1 2 313.426 2.527 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491465137 429362725 /nfs/dbraw/zinc/36/27/25/429362725.db2.gz VHKQBMVLGJLBTG-CYBMUJFWSA-N 1 2 313.426 2.527 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000365730056 429364094 /nfs/dbraw/zinc/36/40/94/429364094.db2.gz ZOUALANUMPBOJU-ZDUSSCGKSA-N 1 2 302.353 2.507 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000491544425 429372147 /nfs/dbraw/zinc/37/21/47/429372147.db2.gz LIKKFVDLSNNADH-OAHLLOKOSA-N 1 2 314.433 2.520 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccccc2CC)n1 ZINC000491537805 429372634 /nfs/dbraw/zinc/37/26/34/429372634.db2.gz TWORXPZFJDSXLD-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccccc2CC)n1 ZINC000491537805 429372638 /nfs/dbraw/zinc/37/26/38/429372638.db2.gz TWORXPZFJDSXLD-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000515895438 429379417 /nfs/dbraw/zinc/37/94/17/429379417.db2.gz WRTRASMVDJRVRD-UHFFFAOYSA-N 1 2 306.369 2.530 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000517172151 429387412 /nfs/dbraw/zinc/38/74/12/429387412.db2.gz DRKPEGYPSXOZKS-SJKOYZFVSA-N 1 2 308.385 2.654 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000517172151 429387415 /nfs/dbraw/zinc/38/74/15/429387415.db2.gz DRKPEGYPSXOZKS-SJKOYZFVSA-N 1 2 308.385 2.654 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570396 429452539 /nfs/dbraw/zinc/45/25/39/429452539.db2.gz HOTRONYXRYZISA-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570396 429452544 /nfs/dbraw/zinc/45/25/44/429452544.db2.gz HOTRONYXRYZISA-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCCOC2)O1 ZINC000366569008 429477887 /nfs/dbraw/zinc/47/78/87/429477887.db2.gz LBBKZLLZNUQWBM-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCCOC2)O1 ZINC000366569008 429477889 /nfs/dbraw/zinc/47/78/89/429477889.db2.gz LBBKZLLZNUQWBM-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO Cn1cc([C@@]2(C)C[N@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000520188999 429501109 /nfs/dbraw/zinc/50/11/09/429501109.db2.gz DRQDGFNVBZATKV-QGZVFWFLSA-N 1 2 316.449 2.832 20 30 DFEDLO Cn1cc([C@@]2(C)C[N@@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000520188999 429501113 /nfs/dbraw/zinc/50/11/13/429501113.db2.gz DRQDGFNVBZATKV-QGZVFWFLSA-N 1 2 316.449 2.832 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366748322 429507228 /nfs/dbraw/zinc/50/72/28/429507228.db2.gz XZVFHWTUAOXBSB-CQSZACIVSA-N 1 2 324.384 2.743 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000366984648 429552944 /nfs/dbraw/zinc/55/29/44/429552944.db2.gz XKFHFQOYGJCQCT-LBPRGKRZSA-N 1 2 313.430 2.860 20 30 DFEDLO N#Cc1nccc(N[C@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000521643990 429560487 /nfs/dbraw/zinc/56/04/87/429560487.db2.gz UWBSLCXUWVVEIR-STQMWFEESA-N 1 2 318.384 2.785 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000367077123 429570770 /nfs/dbraw/zinc/57/07/70/429570770.db2.gz GZXAJLFUCDTQIM-SWLSCSKDSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000367077123 429570776 /nfs/dbraw/zinc/57/07/76/429570776.db2.gz GZXAJLFUCDTQIM-SWLSCSKDSA-N 1 2 321.218 2.932 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CCC1 ZINC000450240020 429583908 /nfs/dbraw/zinc/58/39/08/429583908.db2.gz GBBZERQSGOVYBG-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CCC1 ZINC000450240020 429583912 /nfs/dbraw/zinc/58/39/12/429583912.db2.gz GBBZERQSGOVYBG-UHFFFAOYSA-N 1 2 315.392 2.667 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000492408255 429531462 /nfs/dbraw/zinc/53/14/62/429531462.db2.gz MPOMPNXVELEXOS-XEHSLEBBSA-N 1 2 310.357 2.846 20 30 DFEDLO COc1cc(F)ccc1N1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450413102 429620044 /nfs/dbraw/zinc/62/00/44/429620044.db2.gz RZUSCIFUJIYXKE-UHFFFAOYSA-N 1 2 303.381 2.650 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000524156835 429620435 /nfs/dbraw/zinc/62/04/35/429620435.db2.gz HSABQXYJGFXGAJ-UHFFFAOYSA-N 1 2 315.376 2.750 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492843918 429628149 /nfs/dbraw/zinc/62/81/49/429628149.db2.gz WXUTWXPBAKROLJ-WAYWQWQTSA-N 1 2 313.405 2.805 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904143 429640204 /nfs/dbraw/zinc/64/02/04/429640204.db2.gz VUBZDENYUBXPRM-FPLPWBNLSA-N 1 2 308.385 2.979 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450501257 429640418 /nfs/dbraw/zinc/64/04/18/429640418.db2.gz PLYLSJACVXAINS-XJKSGUPXSA-N 1 2 312.417 3.089 20 30 DFEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)o1 ZINC000367467176 429655779 /nfs/dbraw/zinc/65/57/79/429655779.db2.gz JOCBTULHTKLQTI-GOSISDBHSA-N 1 2 304.353 2.953 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)o1 ZINC000367467176 429655780 /nfs/dbraw/zinc/65/57/80/429655780.db2.gz JOCBTULHTKLQTI-GOSISDBHSA-N 1 2 304.353 2.953 20 30 DFEDLO Cc1cccc([C@]2(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000367577079 429676343 /nfs/dbraw/zinc/67/63/43/429676343.db2.gz RUYXTUWIPNXAKG-QAPCUYQASA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1cccc([C@]2(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000367577079 429676345 /nfs/dbraw/zinc/67/63/45/429676345.db2.gz RUYXTUWIPNXAKG-QAPCUYQASA-N 1 2 317.408 2.626 20 30 DFEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000459516968 429698827 /nfs/dbraw/zinc/69/88/27/429698827.db2.gz FBNFSFKOBVATAZ-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000459516968 429698831 /nfs/dbraw/zinc/69/88/31/429698831.db2.gz FBNFSFKOBVATAZ-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO CC(C)[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459493233 429699221 /nfs/dbraw/zinc/69/92/21/429699221.db2.gz YXNWBEADQIWOJY-MRXNPFEDSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459493233 429699225 /nfs/dbraw/zinc/69/92/25/429699225.db2.gz YXNWBEADQIWOJY-MRXNPFEDSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493123859 429693745 /nfs/dbraw/zinc/69/37/45/429693745.db2.gz VSIMKEAGCZAUSR-VYENPZKTSA-N 1 2 313.445 2.858 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)CCO2 ZINC000367716714 429704667 /nfs/dbraw/zinc/70/46/67/429704667.db2.gz BFRCHHRJPSQTIM-UHFFFAOYSA-N 1 2 318.380 2.909 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](Cc1cnc3ccc(C#N)cn13)CCO2 ZINC000367716714 429704670 /nfs/dbraw/zinc/70/46/70/429704670.db2.gz BFRCHHRJPSQTIM-UHFFFAOYSA-N 1 2 318.380 2.909 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518911 429722674 /nfs/dbraw/zinc/72/26/74/429722674.db2.gz MKZXTFAKUNQZAZ-BBRMVZONSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000481518911 429722682 /nfs/dbraw/zinc/72/26/82/429722682.db2.gz MKZXTFAKUNQZAZ-BBRMVZONSA-N 1 2 305.805 2.965 20 30 DFEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc(C#N)cc2)on1 ZINC000367819547 429723509 /nfs/dbraw/zinc/72/35/09/429723509.db2.gz RSZDWYLFCFHCOQ-HOCLYGCPSA-N 1 2 314.364 2.879 20 30 DFEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc(C#N)cc2)on1 ZINC000367819547 429723513 /nfs/dbraw/zinc/72/35/13/429723513.db2.gz RSZDWYLFCFHCOQ-HOCLYGCPSA-N 1 2 314.364 2.879 20 30 DFEDLO O=C1N=NC([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC000450899378 429725546 /nfs/dbraw/zinc/72/55/46/429725546.db2.gz WFNPTDDLUCYJCV-CYBMUJFWSA-N 1 2 317.776 2.660 20 30 DFEDLO O=C1N=NC([C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)O1 ZINC000450899378 429725549 /nfs/dbraw/zinc/72/55/49/429725549.db2.gz WFNPTDDLUCYJCV-CYBMUJFWSA-N 1 2 317.776 2.660 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)OC ZINC000482452042 429726524 /nfs/dbraw/zinc/72/65/24/429726524.db2.gz UAHSMKVZSKKNCB-KSZLIROESA-N 1 2 317.429 2.965 20 30 DFEDLO CC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483135781 429730323 /nfs/dbraw/zinc/73/03/23/429730323.db2.gz PXQLCOPRXQIDCU-FUHWJXTLSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483135781 429730326 /nfs/dbraw/zinc/73/03/26/429730326.db2.gz PXQLCOPRXQIDCU-FUHWJXTLSA-N 1 2 319.832 2.961 20 30 DFEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377331 429748048 /nfs/dbraw/zinc/74/80/48/429748048.db2.gz OTGZBVCWWLIOIM-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377331 429748053 /nfs/dbraw/zinc/74/80/53/429748053.db2.gz OTGZBVCWWLIOIM-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](F)C2)c1C ZINC000451189708 429782226 /nfs/dbraw/zinc/78/22/26/429782226.db2.gz PKGPUESRBXNHAO-HNNXBMFYSA-N 1 2 303.381 2.594 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](F)C2)c1C ZINC000451189708 429782231 /nfs/dbraw/zinc/78/22/31/429782231.db2.gz PKGPUESRBXNHAO-HNNXBMFYSA-N 1 2 303.381 2.594 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CCCCC1 ZINC000451251975 429795281 /nfs/dbraw/zinc/79/52/81/429795281.db2.gz ZUESCHAWZLOIIF-INIZCTEOSA-N 1 2 308.466 2.740 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CCCCC1 ZINC000451251975 429795285 /nfs/dbraw/zinc/79/52/85/429795285.db2.gz ZUESCHAWZLOIIF-INIZCTEOSA-N 1 2 308.466 2.740 20 30 DFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000528413385 429886091 /nfs/dbraw/zinc/88/60/91/429886091.db2.gz JWUINMMFJRILSV-ZDUSSCGKSA-N 1 2 313.376 2.720 20 30 DFEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000528413385 429886093 /nfs/dbraw/zinc/88/60/93/429886093.db2.gz JWUINMMFJRILSV-ZDUSSCGKSA-N 1 2 313.376 2.720 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368792293 429894118 /nfs/dbraw/zinc/89/41/18/429894118.db2.gz VGTAKUAODMKVOH-QGZVFWFLSA-N 1 2 309.413 2.703 20 30 DFEDLO C[C@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528512418 429895178 /nfs/dbraw/zinc/89/51/78/429895178.db2.gz LPNNMSKHLZQYDM-IUODEOHRSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528512418 429895179 /nfs/dbraw/zinc/89/51/79/429895179.db2.gz LPNNMSKHLZQYDM-IUODEOHRSA-N 1 2 305.809 2.580 20 30 DFEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000368968473 429905091 /nfs/dbraw/zinc/90/50/91/429905091.db2.gz BYOJSFCYAOUECL-QGZVFWFLSA-N 1 2 319.408 2.942 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000494400045 429870877 /nfs/dbraw/zinc/87/08/77/429870877.db2.gz QXOZTSGPJWGSDD-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000494400045 429870880 /nfs/dbraw/zinc/87/08/80/429870880.db2.gz QXOZTSGPJWGSDD-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO C=CCC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000636955671 429960183 /nfs/dbraw/zinc/96/01/83/429960183.db2.gz XUTUXZRJVYTCSD-RDJZCZTQSA-N 1 2 310.401 2.815 20 30 DFEDLO CC1CCC(O)(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000369391482 429937439 /nfs/dbraw/zinc/93/74/39/429937439.db2.gz NKIUDNDKFZQITD-IKJBURDNSA-N 1 2 306.450 2.855 20 30 DFEDLO CC1CCC(O)(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000369391482 429937442 /nfs/dbraw/zinc/93/74/42/429937442.db2.gz NKIUDNDKFZQITD-IKJBURDNSA-N 1 2 306.450 2.855 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000574133809 430013282 /nfs/dbraw/zinc/01/32/82/430013282.db2.gz NBMJFYGUNJOMJK-BBRMVZONSA-N 1 2 311.385 2.813 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000637323973 430025206 /nfs/dbraw/zinc/02/52/06/430025206.db2.gz NZLCVBMSAVLNFW-AWEZNQCLSA-N 1 2 304.438 2.689 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000637621449 430092286 /nfs/dbraw/zinc/09/22/86/430092286.db2.gz PXGZCXPKRKDKEM-KGLIPLIRSA-N 1 2 320.437 2.874 20 30 DFEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000575926014 430099405 /nfs/dbraw/zinc/09/94/05/430099405.db2.gz INULNMFTJKKHHA-GUYCJALGSA-N 1 2 321.852 2.869 20 30 DFEDLO CC(C)Cc1cccc([C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000575049568 430053982 /nfs/dbraw/zinc/05/39/82/430053982.db2.gz GTMBEWYKSBWCBE-HNAYVOBHSA-N 1 2 315.461 2.949 20 30 DFEDLO CC1CC(n2nnc3c2C[N@H+](CC#Cc2ccccc2)CC3)C1 ZINC000640039492 430067591 /nfs/dbraw/zinc/06/75/91/430067591.db2.gz VGPUBMVRHJNTCA-UHFFFAOYSA-N 1 2 306.413 2.659 20 30 DFEDLO CC1CC(n2nnc3c2C[N@@H+](CC#Cc2ccccc2)CC3)C1 ZINC000640039492 430067596 /nfs/dbraw/zinc/06/75/96/430067596.db2.gz VGPUBMVRHJNTCA-UHFFFAOYSA-N 1 2 306.413 2.659 20 30 DFEDLO C[C@H](NC(=O)NCC1(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000562381353 430125434 /nfs/dbraw/zinc/12/54/34/430125434.db2.gz RFQVTTDVAXNTAC-ZDUSSCGKSA-N 1 2 309.373 2.536 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCCCO1 ZINC000562456061 430135469 /nfs/dbraw/zinc/13/54/69/430135469.db2.gz UHQHHECQZPUYNT-OAHLLOKOSA-N 1 2 312.373 2.609 20 30 DFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCCCO1 ZINC000562456061 430135474 /nfs/dbraw/zinc/13/54/74/430135474.db2.gz UHQHHECQZPUYNT-OAHLLOKOSA-N 1 2 312.373 2.609 20 30 DFEDLO CC1CC(C#N)(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000531562233 430146250 /nfs/dbraw/zinc/14/62/50/430146250.db2.gz CPNFNXOUSZBRLZ-CHHLVHLRSA-N 1 2 321.371 2.624 20 30 DFEDLO C=CCCCCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563390700 430185087 /nfs/dbraw/zinc/18/50/87/430185087.db2.gz DAURBGYOGYGWHL-NSHDSACASA-N 1 2 303.328 2.929 20 30 DFEDLO N#CC1(c2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2)CC1 ZINC000540769791 430180774 /nfs/dbraw/zinc/18/07/74/430180774.db2.gz FKQJAPVZJKXMFX-UHFFFAOYSA-N 1 2 308.385 2.648 20 30 DFEDLO CC[C@H](C(=O)Nc1ccccc1CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000563397415 430188216 /nfs/dbraw/zinc/18/82/16/430188216.db2.gz HAAXNXJWODUAGV-DOTOQJQBSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1ccccc1CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000563397415 430188220 /nfs/dbraw/zinc/18/82/20/430188220.db2.gz HAAXNXJWODUAGV-DOTOQJQBSA-N 1 2 315.417 2.581 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000565183604 430204387 /nfs/dbraw/zinc/20/43/87/430204387.db2.gz WJQDVSNVRNBOQO-ZDUSSCGKSA-N 1 2 312.373 2.910 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000565183604 430204390 /nfs/dbraw/zinc/20/43/90/430204390.db2.gz WJQDVSNVRNBOQO-ZDUSSCGKSA-N 1 2 312.373 2.910 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000565179470 430204857 /nfs/dbraw/zinc/20/48/57/430204857.db2.gz ICGWXRTXKGSIQG-YGRLFVJLSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000565179470 430204861 /nfs/dbraw/zinc/20/48/61/430204861.db2.gz ICGWXRTXKGSIQG-YGRLFVJLSA-N 1 2 302.765 2.623 20 30 DFEDLO CCC(C)(C)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000566128403 430242653 /nfs/dbraw/zinc/24/26/53/430242653.db2.gz CGINOIHOZWHMLS-QGZVFWFLSA-N 1 2 303.450 2.992 20 30 DFEDLO CCC(C)(C)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000566128403 430242657 /nfs/dbraw/zinc/24/26/57/430242657.db2.gz CGINOIHOZWHMLS-QGZVFWFLSA-N 1 2 303.450 2.992 20 30 DFEDLO Cc1[nH+]c2cc(CNc3nc(C)cc(C#N)n3)ccc2n1C1CC1 ZINC000566482348 430265543 /nfs/dbraw/zinc/26/55/43/430265543.db2.gz NNNVOAQDHGINSN-UHFFFAOYSA-N 1 2 318.384 3.262 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000566548396 430267063 /nfs/dbraw/zinc/26/70/63/430267063.db2.gz OIUZLICYEJDXFJ-UHFFFAOYSA-N 1 2 321.471 2.920 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCSC2(CCC2)CC1 ZINC000566548396 430267069 /nfs/dbraw/zinc/26/70/69/430267069.db2.gz OIUZLICYEJDXFJ-UHFFFAOYSA-N 1 2 321.471 2.920 20 30 DFEDLO Cc1cc(CNC(=O)N2CCC(CCC#N)CC2)cc(C)[nH+]1 ZINC000567496049 430284167 /nfs/dbraw/zinc/28/41/67/430284167.db2.gz LEUUAOVUSDZYJP-UHFFFAOYSA-N 1 2 300.406 2.924 20 30 DFEDLO C[C@@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000568000959 430304199 /nfs/dbraw/zinc/30/41/99/430304199.db2.gz GQNQLWVYTHIPFH-GUYCJALGSA-N 1 2 308.385 2.900 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCc2cc(Cl)ccc2Cl)nn1 ZINC000641113384 430332130 /nfs/dbraw/zinc/33/21/30/430332130.db2.gz CYIFVRAWNWSXIV-UHFFFAOYSA-N 1 2 323.227 2.941 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCc3c2cccc3Cl)nn1 ZINC000641136249 430338806 /nfs/dbraw/zinc/33/88/06/430338806.db2.gz IIFDMQWOBYZBSS-MRXNPFEDSA-N 1 2 300.793 2.580 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000546004263 430340085 /nfs/dbraw/zinc/34/00/85/430340085.db2.gz REYWYBSJKTYUIO-UHFFFAOYSA-N 1 2 320.352 2.864 20 30 DFEDLO C=CCCCCNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635811495 430383937 /nfs/dbraw/zinc/38/39/37/430383937.db2.gz OBQNBFCWOIMNSH-QGZVFWFLSA-N 1 2 302.418 2.742 20 30 DFEDLO C=CCCCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635811495 430383939 /nfs/dbraw/zinc/38/39/39/430383939.db2.gz OBQNBFCWOIMNSH-QGZVFWFLSA-N 1 2 302.418 2.742 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890921 430403780 /nfs/dbraw/zinc/40/37/80/430403780.db2.gz CHWLMQXVWJVCEB-NVXWUHKLSA-N 1 2 302.418 2.740 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890921 430403784 /nfs/dbraw/zinc/40/37/84/430403784.db2.gz CHWLMQXVWJVCEB-NVXWUHKLSA-N 1 2 302.418 2.740 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000583607540 430409679 /nfs/dbraw/zinc/40/96/79/430409679.db2.gz WURQHTXHUYGOQD-MFKMUULPSA-N 1 2 311.345 2.591 20 30 DFEDLO CC(C)[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000583938442 430444132 /nfs/dbraw/zinc/44/41/32/430444132.db2.gz XLCZVSZDUYFVFJ-SJLPKXTDSA-N 1 2 301.434 2.776 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000548485440 430481299 /nfs/dbraw/zinc/48/12/99/430481299.db2.gz AARMEJQDHOIEHC-INIZCTEOSA-N 1 2 317.820 2.798 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000548485440 430481303 /nfs/dbraw/zinc/48/13/03/430481303.db2.gz AARMEJQDHOIEHC-INIZCTEOSA-N 1 2 317.820 2.798 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548646498 430489066 /nfs/dbraw/zinc/48/90/66/430489066.db2.gz QIEYTJDTRINLHK-LBPRGKRZSA-N 1 2 315.764 2.545 20 30 DFEDLO C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247735827 277759744 /nfs/dbraw/zinc/75/97/44/277759744.db2.gz VONDXEQWHBLDRB-BXUZGUMPSA-N 1 2 301.781 2.891 20 30 DFEDLO CCCC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1cc(C)on1 ZINC000595701456 430503921 /nfs/dbraw/zinc/50/39/21/430503921.db2.gz GNFTVYWRSAIXTE-ILXRZTDVSA-N 1 2 318.421 3.152 20 30 DFEDLO Cc1cc(Nc2cc(C#N)cnn2)c[nH+]c1N1CCCC[C@H]1C ZINC000596188134 430509705 /nfs/dbraw/zinc/50/97/05/430509705.db2.gz BOLRMGCNNZALJL-CYBMUJFWSA-N 1 2 308.389 3.174 20 30 DFEDLO N#Cc1cnnc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000596285791 430512959 /nfs/dbraw/zinc/51/29/59/430512959.db2.gz DDJPAAWJTXJKFB-UONOGXRCSA-N 1 2 318.384 3.363 20 30 DFEDLO CCOCCCNc1ccc(-c2ccc(OC)cc2C#N)c[nH+]1 ZINC000600789600 430533776 /nfs/dbraw/zinc/53/37/76/430533776.db2.gz GMJVNQROPVRMBX-UHFFFAOYSA-N 1 2 311.385 3.467 20 30 DFEDLO C=CCCCCCN(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000606895617 430555759 /nfs/dbraw/zinc/55/57/59/430555759.db2.gz LQCBDPFMPQIDTI-UHFFFAOYSA-N 1 2 314.433 3.217 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000639265801 430593093 /nfs/dbraw/zinc/59/30/93/430593093.db2.gz JRLMEONAUHGSOJ-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000639265801 430593097 /nfs/dbraw/zinc/59/30/97/430593097.db2.gz JRLMEONAUHGSOJ-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000571775240 430651877 /nfs/dbraw/zinc/65/18/77/430651877.db2.gz YWCWSRVBNGCQQW-OAHLLOKOSA-N 1 2 314.433 2.816 20 30 DFEDLO C[C@@H](C#N)CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000554813599 430652911 /nfs/dbraw/zinc/65/29/11/430652911.db2.gz SHBYXPMVAOARTA-AWEZNQCLSA-N 1 2 308.385 2.696 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000571892490 430659259 /nfs/dbraw/zinc/65/92/59/430659259.db2.gz IWEYEMLOWMYSRU-CQSZACIVSA-N 1 2 318.808 2.869 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Cc2ccccc2)c1 ZINC000571288754 430618149 /nfs/dbraw/zinc/61/81/49/430618149.db2.gz HJNBSGJNALIBLZ-HXUWFJFHSA-N 1 2 321.424 2.851 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000555577699 430670608 /nfs/dbraw/zinc/67/06/08/430670608.db2.gz LSFNCIDGFZEMDK-UKRRQHHQSA-N 1 2 319.792 2.585 20 30 DFEDLO COc1ccccc1N1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301643713 278052644 /nfs/dbraw/zinc/05/26/44/278052644.db2.gz CCFISBWLHSDYEV-UHFFFAOYSA-N 1 2 322.412 2.905 20 30 DFEDLO Cc1c2ccc(F)cc2sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572409783 430686415 /nfs/dbraw/zinc/68/64/15/430686415.db2.gz BLZARQGDHQIBGB-MRXNPFEDSA-N 1 2 319.405 2.923 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)nc1 ZINC000572538807 430690365 /nfs/dbraw/zinc/69/03/65/430690365.db2.gz IFJJBMODKPAEPW-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCn1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)nc2cc(C#N)ccc21 ZINC000572885764 430697854 /nfs/dbraw/zinc/69/78/54/430697854.db2.gz MKSGONOTOYYVBT-GFCCVEGCSA-N 1 2 322.372 2.714 20 30 DFEDLO C[C@H]1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000268277101 278370884 /nfs/dbraw/zinc/37/08/84/278370884.db2.gz QIJCUCPNDIFVHE-GUYCJALGSA-N 1 2 307.401 2.726 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000661416383 430707483 /nfs/dbraw/zinc/70/74/83/430707483.db2.gz XTLPVDNOZDTASY-GJZGRUSLSA-N 1 2 302.422 2.928 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000661508832 430740953 /nfs/dbraw/zinc/74/09/53/430740953.db2.gz QZLLYKFADCXTPO-XGWLTEMNSA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534702 430751434 /nfs/dbraw/zinc/75/14/34/430751434.db2.gz DWTCQLOQBSWBBP-LLVKDONJSA-N 1 2 301.312 2.835 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534702 430751435 /nfs/dbraw/zinc/75/14/35/430751435.db2.gz DWTCQLOQBSWBBP-LLVKDONJSA-N 1 2 301.312 2.835 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000661569867 430759614 /nfs/dbraw/zinc/75/96/14/430759614.db2.gz FTBHFDVGXCNVSA-UHFFFAOYSA-N 1 2 307.825 2.743 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658137741 430824354 /nfs/dbraw/zinc/82/43/54/430824354.db2.gz LKXNYZSXJHDYBG-GOEBONIOSA-N 1 2 315.417 2.888 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCCc1cn2c(cccc2C)[nH+]1)OCC ZINC000648709600 430863484 /nfs/dbraw/zinc/86/34/84/430863484.db2.gz AWOSFVILMSUEQM-MRXNPFEDSA-N 1 2 315.417 2.673 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665386230 430917367 /nfs/dbraw/zinc/91/73/67/430917367.db2.gz RXLFBWOTEYHAHY-HZPDHXFCSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665393400 430921251 /nfs/dbraw/zinc/92/12/51/430921251.db2.gz WHOSMNZGMLLVIL-KBPBESRZSA-N 1 2 302.422 2.623 20 30 DFEDLO C=CCN(C(=O)NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000665617827 430984460 /nfs/dbraw/zinc/98/44/60/430984460.db2.gz YAQHNFCEYHAQNW-UHFFFAOYSA-N 1 2 300.406 2.542 20 30 DFEDLO N#Cc1cnccc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000645928521 431117285 /nfs/dbraw/zinc/11/72/85/431117285.db2.gz MQMLPEIDKXTSGQ-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000645928521 431117290 /nfs/dbraw/zinc/11/72/90/431117290.db2.gz MQMLPEIDKXTSGQ-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c1C ZINC000645945853 431127382 /nfs/dbraw/zinc/12/73/82/431127382.db2.gz WVACBGVWRRYSDQ-MRXNPFEDSA-N 1 2 304.434 2.973 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c1C ZINC000645945853 431127388 /nfs/dbraw/zinc/12/73/88/431127388.db2.gz WVACBGVWRRYSDQ-MRXNPFEDSA-N 1 2 304.434 2.973 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)nn1 ZINC000655798247 431150055 /nfs/dbraw/zinc/15/00/55/431150055.db2.gz KYVYWGQWCKRZTP-UHFFFAOYSA-N 1 2 322.416 2.556 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000660295049 431366740 /nfs/dbraw/zinc/36/67/40/431366740.db2.gz MVKSZWGYESJLKV-OAHLLOKOSA-N 1 2 312.417 2.875 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000660325698 431379742 /nfs/dbraw/zinc/37/97/42/431379742.db2.gz CTFPZUJSONSLDW-AWEZNQCLSA-N 1 2 302.422 2.645 20 30 DFEDLO C=C(CC)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000656453051 431388478 /nfs/dbraw/zinc/38/84/78/431388478.db2.gz SHMIXMNGVZVVIO-UHFFFAOYSA-N 1 2 311.433 2.567 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)nn1 ZINC000653585374 431447322 /nfs/dbraw/zinc/44/73/22/431447322.db2.gz NXVQVVMUNTUGLD-KDOFPFPSSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)nn1 ZINC000653585374 431447329 /nfs/dbraw/zinc/44/73/29/431447329.db2.gz NXVQVVMUNTUGLD-KDOFPFPSSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)nn1 ZINC000653613025 431461241 /nfs/dbraw/zinc/46/12/41/431461241.db2.gz RRTPHVPGEOXYOY-QGZVFWFLSA-N 1 2 316.380 2.647 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)nn1 ZINC000653613025 431461247 /nfs/dbraw/zinc/46/12/47/431461247.db2.gz RRTPHVPGEOXYOY-QGZVFWFLSA-N 1 2 316.380 2.647 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000660687593 431549972 /nfs/dbraw/zinc/54/99/72/431549972.db2.gz ARBWQINEMLSWQZ-HNNXBMFYSA-N 1 2 302.422 2.881 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000664145472 431670877 /nfs/dbraw/zinc/67/08/77/431670877.db2.gz SZBTTXCLTRNQAK-PMPSAXMXSA-N 1 2 316.449 2.985 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000664145472 431670884 /nfs/dbraw/zinc/67/08/84/431670884.db2.gz SZBTTXCLTRNQAK-PMPSAXMXSA-N 1 2 316.449 2.985 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)nn1 ZINC000657359111 431701308 /nfs/dbraw/zinc/70/13/08/431701308.db2.gz PIVQFDNKRWFLMT-OAHLLOKOSA-N 1 2 302.353 2.607 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043671 431710338 /nfs/dbraw/zinc/71/03/38/431710338.db2.gz CUTWZBFWMZFRGE-QLFBSQMISA-N 1 2 302.422 2.632 20 30 DFEDLO Cc1cc(NCCc2cccc(C(=O)N(C)C)c2)c(C#N)c(C)[nH+]1 ZINC000301696033 280626738 /nfs/dbraw/zinc/62/67/38/280626738.db2.gz YSGSXMZYCUNUCV-UHFFFAOYSA-N 1 2 322.412 2.927 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)nn1 ZINC000657428566 431745620 /nfs/dbraw/zinc/74/56/20/431745620.db2.gz LZHNJUCVVYBSJB-MRXNPFEDSA-N 1 2 316.380 2.997 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)[C@H](C)COC ZINC000661241918 431792921 /nfs/dbraw/zinc/79/29/21/431792921.db2.gz DWTSVILUWIHXGJ-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)[C@H](C)COC ZINC000661241918 431792927 /nfs/dbraw/zinc/79/29/27/431792927.db2.gz DWTSVILUWIHXGJ-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)[C@@H](C)COC ZINC000661248814 431794612 /nfs/dbraw/zinc/79/46/12/431794612.db2.gz XRVGEJSBBVWDDF-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)[C@@H](C)COC ZINC000661248814 431794616 /nfs/dbraw/zinc/79/46/16/431794616.db2.gz XRVGEJSBBVWDDF-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CCN(CC=C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654369924 431767415 /nfs/dbraw/zinc/76/74/15/431767415.db2.gz RNJJXZBRNDUTPH-NSHDSACASA-N 1 2 301.312 2.657 20 30 DFEDLO C[C@@H]1COCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367736644 288334793 /nfs/dbraw/zinc/33/47/93/288334793.db2.gz HHXKIOVPZILRAU-NSHDSACASA-N 1 2 309.207 2.789 20 30 DFEDLO C[C@@H]1COCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367736644 288334797 /nfs/dbraw/zinc/33/47/97/288334797.db2.gz HHXKIOVPZILRAU-NSHDSACASA-N 1 2 309.207 2.789 20 30 DFEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)cccc1C#N ZINC000291130152 289048829 /nfs/dbraw/zinc/04/88/29/289048829.db2.gz NBLCQNBQRSEUGJ-IUODEOHRSA-N 1 2 305.809 2.511 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289941676 294036380 /nfs/dbraw/zinc/03/63/80/294036380.db2.gz VLAVIJGPMVSAIZ-VIFPVBQESA-N 1 2 311.332 2.684 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1C ZINC000289941676 294036382 /nfs/dbraw/zinc/03/63/82/294036382.db2.gz VLAVIJGPMVSAIZ-VIFPVBQESA-N 1 2 311.332 2.684 20 30 DFEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000154033456 295290580 /nfs/dbraw/zinc/29/05/80/295290580.db2.gz WDAMTVZHJQOBBE-UHFFFAOYSA-N 1 2 324.771 2.832 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685578 295339762 /nfs/dbraw/zinc/33/97/62/295339762.db2.gz TVMWVLRPSDCKPM-ZDUSSCGKSA-N 1 2 318.398 2.618 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685578 295339763 /nfs/dbraw/zinc/33/97/63/295339763.db2.gz TVMWVLRPSDCKPM-ZDUSSCGKSA-N 1 2 318.398 2.618 20 30 DFEDLO COc1ccc(CSc2[nH+]cnc3c2cnn3C)cc1C#N ZINC000162797442 295417133 /nfs/dbraw/zinc/41/71/33/295417133.db2.gz OGYCCPBXAWMCJG-UHFFFAOYSA-N 1 2 311.370 2.536 20 30 DFEDLO CCc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000528778949 300846281 /nfs/dbraw/zinc/84/62/81/300846281.db2.gz PULFXXLADKZJDH-UHFFFAOYSA-N 1 2 311.385 2.904 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000540879534 301371854 /nfs/dbraw/zinc/37/18/54/301371854.db2.gz QAZBNDFHQAUQCE-UHFFFAOYSA-N 1 2 302.337 2.878 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000547984390 301556448 /nfs/dbraw/zinc/55/64/48/301556448.db2.gz UWDKKXGSLXNUGH-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1Cl ZINC000548306312 301578213 /nfs/dbraw/zinc/57/82/13/301578213.db2.gz UKAVSBQJACHAQG-ZDUSSCGKSA-N 1 2 314.776 2.716 20 30 DFEDLO C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)n1cc[nH+]c1 ZINC000563212779 302050528 /nfs/dbraw/zinc/05/05/28/302050528.db2.gz ZPOCOHMGTFANDD-CQSZACIVSA-N 1 2 308.385 2.897 20 30 DFEDLO Cc1csc(NC2CC[NH+](Cc3nc(C#N)cs3)CC2)n1 ZINC000564536448 302139848 /nfs/dbraw/zinc/13/98/48/302139848.db2.gz HPRAFRKCMUWFLE-UHFFFAOYSA-N 1 2 319.459 2.856 20 30 DFEDLO Cc1csc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1C#N ZINC000567120727 302337842 /nfs/dbraw/zinc/33/78/42/302337842.db2.gz KPMHXGYHYKCWJV-NSHDSACASA-N 1 2 315.402 2.824 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncncc2C#N)CC1 ZINC000572358956 302657379 /nfs/dbraw/zinc/65/73/79/302657379.db2.gz XGCBCIRAZTUCQK-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000183093892 316130285 /nfs/dbraw/zinc/13/02/85/316130285.db2.gz IFNMGJXZQAVECU-VGSWGCGISA-N 1 2 316.401 2.907 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nnnn1-c1ccccc1 ZINC000184836285 316175402 /nfs/dbraw/zinc/17/54/02/316175402.db2.gz NHFLUZOIVODGAR-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000185012724 316177917 /nfs/dbraw/zinc/17/79/17/316177917.db2.gz HRDAJBCLEBTBJI-LLVKDONJSA-N 1 2 300.387 2.613 20 30 DFEDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000572825128 318005087 /nfs/dbraw/zinc/00/50/87/318005087.db2.gz UAZPJNWQJJNGOH-AWEZNQCLSA-N 1 2 314.414 2.762 20 30 DFEDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000572825128 318005089 /nfs/dbraw/zinc/00/50/89/318005089.db2.gz UAZPJNWQJJNGOH-AWEZNQCLSA-N 1 2 314.414 2.762 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000574592535 318027138 /nfs/dbraw/zinc/02/71/38/318027138.db2.gz PFFLOAJEPGDNBF-MRXNPFEDSA-N 1 2 320.352 2.713 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000574862270 318045392 /nfs/dbraw/zinc/04/53/92/318045392.db2.gz QBUSPCGDYHNWHG-UHFFFAOYSA-N 1 2 319.430 2.592 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000188099520 331542749 /nfs/dbraw/zinc/54/27/49/331542749.db2.gz UAVGOOIWAQRZFV-GOSISDBHSA-N 1 2 317.433 2.527 20 30 DFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000408113711 331822412 /nfs/dbraw/zinc/82/24/12/331822412.db2.gz YVTQBXHKEYOABX-BLLLJJGKSA-N 1 2 313.392 2.552 20 30 DFEDLO N#CCCCC[S@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072910099 331933395 /nfs/dbraw/zinc/93/33/95/331933395.db2.gz VDSNTHWPSIZCEL-OAQYLSRUSA-N 1 2 301.415 2.874 20 30 DFEDLO C[C@@H](C[N@H+](C)CC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449341683 332052675 /nfs/dbraw/zinc/05/26/75/332052675.db2.gz VTMDWJFXBJHWAD-ZDUSSCGKSA-N 1 2 308.447 2.675 20 30 DFEDLO C[C@@H](C[N@@H+](C)CC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449341683 332052676 /nfs/dbraw/zinc/05/26/76/332052676.db2.gz VTMDWJFXBJHWAD-ZDUSSCGKSA-N 1 2 308.447 2.675 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000518542583 332077611 /nfs/dbraw/zinc/07/76/11/332077611.db2.gz ZZIWTIXWARYWAY-GGPKGHCWSA-N 1 2 321.424 2.903 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1OCCCC#N ZINC000092018231 332117629 /nfs/dbraw/zinc/11/76/29/332117629.db2.gz QFWIIQQEJNZEOB-HUUCEWRRSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1OCCCC#N ZINC000092018231 332117631 /nfs/dbraw/zinc/11/76/31/332117631.db2.gz QFWIIQQEJNZEOB-HUUCEWRRSA-N 1 2 318.417 2.987 20 30 DFEDLO Cc1cc(C)c(CNC(=O)NCc2ccc(CC#N)cc2)c[nH+]1 ZINC000569600779 332194454 /nfs/dbraw/zinc/19/44/54/332194454.db2.gz ZCWZWFXSBKLEPO-UHFFFAOYSA-N 1 2 308.385 2.764 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000292756144 335094308 /nfs/dbraw/zinc/09/43/08/335094308.db2.gz WDOHXPCRZLBWTE-UHFFFAOYSA-N 1 2 308.372 2.851 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000559653460 332275552 /nfs/dbraw/zinc/27/55/52/332275552.db2.gz HCZIKBGQHVKUNN-RHSMWYFYSA-N 1 2 313.401 2.593 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000293073909 335099790 /nfs/dbraw/zinc/09/97/90/335099790.db2.gz NHPYICLVDFHMRA-UHFFFAOYSA-N 1 2 308.372 2.585 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152952493 332336858 /nfs/dbraw/zinc/33/68/58/332336858.db2.gz WJFMFPJECPRLJU-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152952493 332336860 /nfs/dbraw/zinc/33/68/60/332336860.db2.gz WJFMFPJECPRLJU-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152952578 332336915 /nfs/dbraw/zinc/33/69/15/332336915.db2.gz WJFMFPJECPRLJU-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152952578 332336916 /nfs/dbraw/zinc/33/69/16/332336916.db2.gz WJFMFPJECPRLJU-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000154187721 332428959 /nfs/dbraw/zinc/42/89/59/332428959.db2.gz LUYCMBHOFUCXMI-DOTOQJQBSA-N 1 2 308.385 2.607 20 30 DFEDLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000126889914 332467154 /nfs/dbraw/zinc/46/71/54/332467154.db2.gz MYEANFJEMRYZGS-GJZGRUSLSA-N 1 2 318.417 2.987 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000129470538 332516559 /nfs/dbraw/zinc/51/65/59/332516559.db2.gz HKCQOWGXJQMRLG-UHFFFAOYSA-N 1 2 306.369 2.955 20 30 DFEDLO C#Cc1cccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000157578957 332529628 /nfs/dbraw/zinc/52/96/28/332529628.db2.gz ISGWNXAJODFYGL-KRWDZBQOSA-N 1 2 320.396 2.853 20 30 DFEDLO N#CC1(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CCC1 ZINC000580156347 332967403 /nfs/dbraw/zinc/96/74/03/332967403.db2.gz HRMYRAKZACUJFD-KRWDZBQOSA-N 1 2 307.397 2.873 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000174226557 333083517 /nfs/dbraw/zinc/08/35/17/333083517.db2.gz RCPZWYUZUKHMGE-NSHDSACASA-N 1 2 307.350 2.785 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cn2cc(Cl)ccc2n1 ZINC000174221982 333083545 /nfs/dbraw/zinc/08/35/45/333083545.db2.gz XHKZZGLRYAHMCC-NSHDSACASA-N 1 2 324.812 2.838 20 30 DFEDLO NC(=[NH+]OCCCNC(=O)C1CCCC1)c1cccc(Cl)c1 ZINC000176807146 333120023 /nfs/dbraw/zinc/12/00/23/333120023.db2.gz PXUPWZLCBTWVHA-UHFFFAOYSA-N 1 2 323.824 2.673 20 30 DFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000178279065 333136909 /nfs/dbraw/zinc/13/69/09/333136909.db2.gz KQYNEDUMFNDXMK-MRXNPFEDSA-N 1 2 322.412 2.581 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000183929950 333190008 /nfs/dbraw/zinc/19/00/08/333190008.db2.gz UNQKDUUWAAQVGQ-ZDUSSCGKSA-N 1 2 316.430 2.684 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000294455496 335123243 /nfs/dbraw/zinc/12/32/43/335123243.db2.gz NMQOPNDAFNEBNV-ZDUSSCGKSA-N 1 2 311.385 2.740 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCC2(CC1)OCCO2 ZINC000190267233 333269041 /nfs/dbraw/zinc/26/90/41/333269041.db2.gz PGOPKLYPOVXMSA-UHFFFAOYSA-N 1 2 315.417 2.731 20 30 DFEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCC2(CC1)OCCO2 ZINC000190267233 333269042 /nfs/dbraw/zinc/26/90/42/333269042.db2.gz PGOPKLYPOVXMSA-UHFFFAOYSA-N 1 2 315.417 2.731 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242703 333286469 /nfs/dbraw/zinc/28/64/69/333286469.db2.gz RIBCTLBYSUYYEU-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242703 333286471 /nfs/dbraw/zinc/28/64/71/333286471.db2.gz RIBCTLBYSUYYEU-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000193299628 333301359 /nfs/dbraw/zinc/30/13/59/333301359.db2.gz CGKVHHWTWIIASZ-UONOGXRCSA-N 1 2 311.389 2.556 20 30 DFEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000193299628 333301361 /nfs/dbraw/zinc/30/13/61/333301361.db2.gz CGKVHHWTWIIASZ-UONOGXRCSA-N 1 2 311.389 2.556 20 30 DFEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000193577003 333304237 /nfs/dbraw/zinc/30/42/37/333304237.db2.gz ZYJWZEAVRNELGV-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO CC(C)(C)C1CCC(C#N)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000193849184 333307044 /nfs/dbraw/zinc/30/70/44/333307044.db2.gz XPIMMMDPSPDVRJ-UHFFFAOYSA-N 1 2 302.422 2.957 20 30 DFEDLO CC(C)(C)C1CCC(C#N)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000193849184 333307045 /nfs/dbraw/zinc/30/70/45/333307045.db2.gz XPIMMMDPSPDVRJ-UHFFFAOYSA-N 1 2 302.422 2.957 20 30 DFEDLO CCCCCCCS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000195071604 333319419 /nfs/dbraw/zinc/31/94/19/333319419.db2.gz ITPUFPNTRDSDRF-UHFFFAOYSA-N 1 2 323.462 2.767 20 30 DFEDLO Cc1[nH]c(-c2cccc(NC(=O)CSCC#N)c2)[nH+]c1C ZINC000364503225 333324469 /nfs/dbraw/zinc/32/44/69/333324469.db2.gz ZCWOEORWXOGPLJ-UHFFFAOYSA-N 1 2 300.387 2.889 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000111250915 333328203 /nfs/dbraw/zinc/32/82/03/333328203.db2.gz JMLSDGJIFSPXME-UHFFFAOYSA-N 1 2 323.387 2.843 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1cc(F)cc(F)c1 ZINC000111250915 333328205 /nfs/dbraw/zinc/32/82/05/333328205.db2.gz JMLSDGJIFSPXME-UHFFFAOYSA-N 1 2 323.387 2.843 20 30 DFEDLO C#CC[C@@H](NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000364695658 333329476 /nfs/dbraw/zinc/32/94/76/333329476.db2.gz KQEIUQPWMFMAAU-NVXWUHKLSA-N 1 2 322.412 2.509 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000354595674 333354535 /nfs/dbraw/zinc/35/45/35/333354535.db2.gz MZASTSFWNVFJKJ-CHWSQXEVSA-N 1 2 302.422 2.646 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000354595674 333354536 /nfs/dbraw/zinc/35/45/36/333354536.db2.gz MZASTSFWNVFJKJ-CHWSQXEVSA-N 1 2 302.422 2.646 20 30 DFEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563087877 333369503 /nfs/dbraw/zinc/36/95/03/333369503.db2.gz AVHGCIGLCNZSNG-UHFFFAOYSA-N 1 2 320.462 2.515 20 30 DFEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)cc1 ZINC000365614835 333413342 /nfs/dbraw/zinc/41/33/42/333413342.db2.gz VKJDLGFTHYNKRB-OAHLLOKOSA-N 1 2 308.381 2.681 20 30 DFEDLO C=C(C)C[N@@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296217985 335140711 /nfs/dbraw/zinc/14/07/11/335140711.db2.gz MQTJHSKNVULGKS-AWEZNQCLSA-N 1 2 314.223 2.999 20 30 DFEDLO C=C(C)C[N@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296217985 335140712 /nfs/dbraw/zinc/14/07/12/335140712.db2.gz MQTJHSKNVULGKS-AWEZNQCLSA-N 1 2 314.223 2.999 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCC#Cc2ccccc2)CC1(C)C ZINC000296110769 335141724 /nfs/dbraw/zinc/14/17/24/335141724.db2.gz BJVFJTWVYOWHSX-MRXNPFEDSA-N 1 2 322.412 2.564 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369391021 333488354 /nfs/dbraw/zinc/48/83/54/333488354.db2.gz HVZYPZJBOLSZDA-DOTOQJQBSA-N 1 2 302.422 2.891 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000296851397 335147028 /nfs/dbraw/zinc/14/70/28/335147028.db2.gz UGRIKEIRRHSVKC-HUUCEWRRSA-N 1 2 315.417 2.746 20 30 DFEDLO CCC[C@@H](C#N)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000410834666 333600147 /nfs/dbraw/zinc/60/01/47/333600147.db2.gz KZZRIWQHCOSKOX-NSHDSACASA-N 1 2 320.343 2.774 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000411119470 333634088 /nfs/dbraw/zinc/63/40/88/333634088.db2.gz KCKGKJJPOIUSTR-ZDUSSCGKSA-N 1 2 305.809 2.790 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411360782 333660749 /nfs/dbraw/zinc/66/07/49/333660749.db2.gz WVFODASNYCISJM-LBPRGKRZSA-N 1 2 303.406 2.806 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000264498972 333957386 /nfs/dbraw/zinc/95/73/86/333957386.db2.gz FVSGWAFCNXDDIS-SGPNVBEDSA-N 1 2 320.389 2.916 20 30 DFEDLO Cc1nn(Cc2ccccc2)c(C)c1/C=N/OCc1c[nH+]cn1C ZINC000267806691 333986771 /nfs/dbraw/zinc/98/67/71/333986771.db2.gz RSBOBIIXCVXBGM-KEBDBYFISA-N 1 2 323.400 2.832 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635494 334002822 /nfs/dbraw/zinc/00/28/22/334002822.db2.gz HFQYAOKUJHAWLB-OAHLLOKOSA-N 1 2 305.378 2.890 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635494 334002823 /nfs/dbraw/zinc/00/28/23/334002823.db2.gz HFQYAOKUJHAWLB-OAHLLOKOSA-N 1 2 305.378 2.890 20 30 DFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272495994 334035283 /nfs/dbraw/zinc/03/52/83/334035283.db2.gz CXPZLXANXVLYIX-OAHLLOKOSA-N 1 2 311.429 2.980 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C#N)CC1 ZINC000272580650 334037542 /nfs/dbraw/zinc/03/75/42/334037542.db2.gz OCXJUSVBOKWTDA-GFCCVEGCSA-N 1 2 316.361 2.547 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000272750654 334039567 /nfs/dbraw/zinc/03/95/67/334039567.db2.gz OCTFJJYKFMDGGC-OAHLLOKOSA-N 1 2 308.426 2.703 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCC#N)n2)C1 ZINC000272918921 334041076 /nfs/dbraw/zinc/04/10/76/334041076.db2.gz FQUCSRJLKGMMOU-GFCCVEGCSA-N 1 2 321.450 2.800 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCC#N)n2)C1 ZINC000272918921 334041078 /nfs/dbraw/zinc/04/10/78/334041078.db2.gz FQUCSRJLKGMMOU-GFCCVEGCSA-N 1 2 321.450 2.800 20 30 DFEDLO CCOc1cccc(/C=[NH+]/C2CCC(C(=O)NC)CC2)c1O ZINC000273227278 334044720 /nfs/dbraw/zinc/04/47/20/334044720.db2.gz QSEGQSFZOYJTOZ-YBFXNURJSA-N 1 2 304.390 2.515 20 30 DFEDLO C[C@H](c1cccc(NC(=O)NCCCC#N)c1)[NH+]1CCOCC1 ZINC000273240976 334044757 /nfs/dbraw/zinc/04/47/57/334044757.db2.gz QMLYDLNXKWJKOX-CQSZACIVSA-N 1 2 316.405 2.505 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000273484178 334048109 /nfs/dbraw/zinc/04/81/09/334048109.db2.gz RBWIGYSJYVFVSU-OAHLLOKOSA-N 1 2 316.405 2.922 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274589027 334063684 /nfs/dbraw/zinc/06/36/84/334063684.db2.gz JSOSHYKRTBVNOA-CABCVRRESA-N 1 2 308.426 2.607 20 30 DFEDLO C[C@H](N1CC[NH+](Cc2ccc(CC#N)cc2)CC1)C(F)(F)F ZINC000343528713 335175214 /nfs/dbraw/zinc/17/52/14/335175214.db2.gz BCVKQQGRJRQFTA-ZDUSSCGKSA-N 1 2 311.351 2.821 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000276255196 334075389 /nfs/dbraw/zinc/07/53/89/334075389.db2.gz AERTZQPVVFKCBO-CYBMUJFWSA-N 1 2 305.809 2.790 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000276334421 334075765 /nfs/dbraw/zinc/07/57/65/334075765.db2.gz ROWGXWCJHRWDCT-CQSZACIVSA-N 1 2 310.401 2.618 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000276334417 334075797 /nfs/dbraw/zinc/07/57/97/334075797.db2.gz ROWGXWCJHRWDCT-AWEZNQCLSA-N 1 2 310.401 2.618 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000278767058 334101008 /nfs/dbraw/zinc/10/10/08/334101008.db2.gz KROIMKONCMCOQL-RMKNXTFCSA-N 1 2 311.429 2.784 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(C(F)F)c1 ZINC000279177670 334106258 /nfs/dbraw/zinc/10/62/58/334106258.db2.gz AZYSKJJGBYYPES-UHFFFAOYSA-N 1 2 323.387 2.672 20 30 DFEDLO NC(COc1cccc(F)c1)=[NH+]OCCCC1CCOCC1 ZINC000279719157 334111368 /nfs/dbraw/zinc/11/13/68/334111368.db2.gz IRORZQRXORHAPF-UHFFFAOYSA-N 1 2 310.369 2.700 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000279982888 334113394 /nfs/dbraw/zinc/11/33/94/334113394.db2.gz QWOBGGKMVOFGNI-AWEZNQCLSA-N 1 2 320.343 2.677 20 30 DFEDLO C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)Cn1cc[nH+]c1 ZINC000280219625 334115354 /nfs/dbraw/zinc/11/53/54/334115354.db2.gz RSPKGQKJJHZMSH-CQSZACIVSA-N 1 2 310.401 2.750 20 30 DFEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)cn1 ZINC000280488993 334117891 /nfs/dbraw/zinc/11/78/91/334117891.db2.gz MAMUAZGATMFFKG-MNOVXSKESA-N 1 2 307.195 2.938 20 30 DFEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)cn1 ZINC000280488991 334117909 /nfs/dbraw/zinc/11/79/09/334117909.db2.gz MAMUAZGATMFFKG-GHMZBOCLSA-N 1 2 307.195 2.938 20 30 DFEDLO CCCCCCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000281877778 334129169 /nfs/dbraw/zinc/12/91/69/334129169.db2.gz WXNPHVIIMUJWNF-UHFFFAOYSA-N 1 2 309.435 2.724 20 30 DFEDLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284025858 334142317 /nfs/dbraw/zinc/14/23/17/334142317.db2.gz IGUYGFXTYXHGSC-WFASDCNBSA-N 1 2 319.405 2.606 20 30 DFEDLO CC(C)c1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284083341 334142486 /nfs/dbraw/zinc/14/24/86/334142486.db2.gz KNJRDLRLRKJDMC-WFASDCNBSA-N 1 2 319.405 2.605 20 30 DFEDLO NC(=[NH+]OCc1ccc(Cl)c2cccnc12)[C@H]1CCCO1 ZINC000284524808 334143821 /nfs/dbraw/zinc/14/38/21/334143821.db2.gz UTQNYBBROAWVRO-CYBMUJFWSA-N 1 2 305.765 2.856 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287239543 334156867 /nfs/dbraw/zinc/15/68/67/334156867.db2.gz HQXJWPBMKISQOO-HNNXBMFYSA-N 1 2 324.428 2.608 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287239543 334156868 /nfs/dbraw/zinc/15/68/68/334156868.db2.gz HQXJWPBMKISQOO-HNNXBMFYSA-N 1 2 324.428 2.608 20 30 DFEDLO O=S1(=O)CCC[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000287313169 334157083 /nfs/dbraw/zinc/15/70/83/334157083.db2.gz UQIRLNGFCLAVDH-FHXOWUIVSA-N 1 2 317.410 2.789 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000288559255 334161037 /nfs/dbraw/zinc/16/10/37/334161037.db2.gz YLQUFPCHHKPERX-SFHVURJKSA-N 1 2 315.417 2.706 20 30 DFEDLO COc1cc[nH+]cc1CN1C(=O)CS/C1=C/C(=O)C(C)(C)C ZINC000288595147 334161262 /nfs/dbraw/zinc/16/12/62/334161262.db2.gz MCRLHQYQSPLRDC-VIZOYTHASA-N 1 2 320.414 2.622 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292446578 334188330 /nfs/dbraw/zinc/18/83/30/334188330.db2.gz PALWRIVFQRCIMK-MSOLQXFVSA-N 1 2 311.429 2.650 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292446578 334188331 /nfs/dbraw/zinc/18/83/31/334188331.db2.gz PALWRIVFQRCIMK-MSOLQXFVSA-N 1 2 311.429 2.650 20 30 DFEDLO C=CCN(CCC#N)Cc1c[nH+]c2ccc(Br)cn12 ZINC000292786335 334192355 /nfs/dbraw/zinc/19/23/55/334192355.db2.gz LYMKTVWQCVGRRO-UHFFFAOYSA-N 1 2 319.206 2.998 20 30 DFEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCOCCC#N)CC1 ZINC000292913189 334194205 /nfs/dbraw/zinc/19/42/05/334194205.db2.gz XHPNJOUEFHBVAA-HNNXBMFYSA-N 1 2 321.852 2.949 20 30 DFEDLO N#CCCOCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000294017000 334204626 /nfs/dbraw/zinc/20/46/26/334204626.db2.gz HDOHCCFMKTXLIN-KRWDZBQOSA-N 1 2 316.401 2.515 20 30 DFEDLO N#CCCOCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000294017000 334204627 /nfs/dbraw/zinc/20/46/27/334204627.db2.gz HDOHCCFMKTXLIN-KRWDZBQOSA-N 1 2 316.401 2.515 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000295639042 334226166 /nfs/dbraw/zinc/22/61/66/334226166.db2.gz XZJCNXFTHBCFCA-YOEHRIQHSA-N 1 2 308.385 2.744 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cccc(CC#N)c2)CC1(C)C ZINC000295867723 334228150 /nfs/dbraw/zinc/22/81/50/334228150.db2.gz LDJGAQQCAUYXIP-HNNXBMFYSA-N 1 2 308.385 2.709 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000340559782 334239509 /nfs/dbraw/zinc/23/95/09/334239509.db2.gz ASLSNSUYSIJZNZ-MRXNPFEDSA-N 1 2 322.343 2.865 20 30 DFEDLO N#CCc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000531924829 334293144 /nfs/dbraw/zinc/29/31/44/334293144.db2.gz BMAGZXFRSYWBKA-UHFFFAOYSA-N 1 2 303.325 2.586 20 30 DFEDLO C#CCCCCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000120185775 334317640 /nfs/dbraw/zinc/31/76/40/334317640.db2.gz BTFDVDMCBPODPG-UHFFFAOYSA-N 1 2 314.429 2.959 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000341370039 334436166 /nfs/dbraw/zinc/43/61/66/334436166.db2.gz JGSQZAMRPUTQQB-HNNXBMFYSA-N 1 2 302.422 2.576 20 30 DFEDLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C#N)(COC)CC1 ZINC000341991430 334503884 /nfs/dbraw/zinc/50/38/84/334503884.db2.gz NLSAFLNYHXSWGO-MRXNPFEDSA-N 1 2 316.401 2.543 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2nc3c(cccc3OC)s2)CC1 ZINC000341991538 334503902 /nfs/dbraw/zinc/50/39/02/334503902.db2.gz ALCPOVOJUYGOOD-UHFFFAOYSA-N 1 2 317.414 2.895 20 30 DFEDLO C=CCCOCCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000342633733 334556452 /nfs/dbraw/zinc/55/64/52/334556452.db2.gz PEQYLMDFUZVOJR-UHFFFAOYSA-N 1 2 301.390 2.714 20 30 DFEDLO Cc1cc(C)c(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c(C)[nH+]1 ZINC000328816758 334755334 /nfs/dbraw/zinc/75/53/34/334755334.db2.gz CWYOEIJXRMBRJZ-CYBMUJFWSA-N 1 2 322.430 2.810 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000328784774 334756975 /nfs/dbraw/zinc/75/69/75/334756975.db2.gz NZUXMAOYJKXISX-VRKREXBASA-N 1 2 321.421 2.538 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC000330403917 334778696 /nfs/dbraw/zinc/77/86/96/334778696.db2.gz MDNJPINHEFFZJM-IPYPFGDCSA-N 1 2 304.438 2.976 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000330644535 334794863 /nfs/dbraw/zinc/79/48/63/334794863.db2.gz YLLBNHPYCTUERJ-HUUCEWRRSA-N 1 2 322.453 2.746 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000330644534 334794887 /nfs/dbraw/zinc/79/48/87/334794887.db2.gz YLLBNHPYCTUERJ-CABCVRRESA-N 1 2 322.453 2.746 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000330783479 334814933 /nfs/dbraw/zinc/81/49/33/334814933.db2.gz QOIWOQMDCBWSHV-UHFFFAOYSA-N 1 2 311.838 2.643 20 30 DFEDLO CC(C)[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)[NH+]1CCOCC1 ZINC000330867404 334816473 /nfs/dbraw/zinc/81/64/73/334816473.db2.gz DFPCTYAHBVVOSN-CQSZACIVSA-N 1 2 323.437 2.634 20 30 DFEDLO COC(=O)[C@]1(C)CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000331345235 334857497 /nfs/dbraw/zinc/85/74/97/334857497.db2.gz VFFYKHTUIGSWOQ-PIGZYNQJSA-N 1 2 319.405 2.683 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000334053932 334865990 /nfs/dbraw/zinc/86/59/90/334865990.db2.gz PYOWOECOIXSKLM-HUUCEWRRSA-N 1 2 304.438 2.739 20 30 DFEDLO N#CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000163271297 334921719 /nfs/dbraw/zinc/92/17/19/334921719.db2.gz VHVZWDDJLWZGQS-UHFFFAOYSA-N 1 2 301.781 2.656 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000344080892 335216224 /nfs/dbraw/zinc/21/62/24/335216224.db2.gz WVZKRTVCIHKOBU-LBPRGKRZSA-N 1 2 302.403 2.553 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000344080892 335216225 /nfs/dbraw/zinc/21/62/25/335216225.db2.gz WVZKRTVCIHKOBU-LBPRGKRZSA-N 1 2 302.403 2.553 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000345818852 335353365 /nfs/dbraw/zinc/35/33/65/335353365.db2.gz YIPCCMPYMMMIFI-INIZCTEOSA-N 1 2 304.353 2.891 20 30 DFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000346262532 335395861 /nfs/dbraw/zinc/39/58/61/335395861.db2.gz ORZCNYHYNAGWKF-QWHCGFSZSA-N 1 2 305.809 2.705 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000347687584 335516029 /nfs/dbraw/zinc/51/60/29/335516029.db2.gz JAEATUKIKYANMA-JQWIXIFHSA-N 1 2 311.307 2.926 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000347708682 335518485 /nfs/dbraw/zinc/51/84/85/335518485.db2.gz RULYUJQKNIZBEN-MELADBBJSA-N 1 2 301.390 2.694 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000347707597 335523119 /nfs/dbraw/zinc/52/31/19/335523119.db2.gz QOIQRCSEUMYPMD-UXLLHSPISA-N 1 2 310.401 2.604 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000448719761 338494149 /nfs/dbraw/zinc/49/41/49/338494149.db2.gz LPBJTKWFILPOMD-KDOFPFPSSA-N 1 2 312.417 2.628 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)COC2 ZINC000329003127 335932929 /nfs/dbraw/zinc/93/29/29/335932929.db2.gz XYMWBUYRUGQFCK-UHFFFAOYSA-N 1 2 311.385 2.797 20 30 DFEDLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000329339052 335965495 /nfs/dbraw/zinc/96/54/95/335965495.db2.gz NMKMRFBSWYMJSC-WFASDCNBSA-N 1 2 324.384 2.783 20 30 DFEDLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000329339050 335965571 /nfs/dbraw/zinc/96/55/71/335965571.db2.gz NMKMRFBSWYMJSC-IUODEOHRSA-N 1 2 324.384 2.783 20 30 DFEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@H]1CCCCO1 ZINC000329481306 335982392 /nfs/dbraw/zinc/98/23/92/335982392.db2.gz RCKXCVOYEHAFDV-BFHYXJOUSA-N 1 2 306.410 2.808 20 30 DFEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H]1C1CC1 ZINC000329557784 335993733 /nfs/dbraw/zinc/99/37/33/335993733.db2.gz CAONIQVJBCHZEB-UONOGXRCSA-N 1 2 302.422 2.795 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCCS1 ZINC000329609622 336004860 /nfs/dbraw/zinc/00/48/60/336004860.db2.gz BXBNODGCVNXDBM-ZDUSSCGKSA-N 1 2 310.467 2.828 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCc2cc(F)ccc21 ZINC000329632864 336020503 /nfs/dbraw/zinc/02/05/03/336020503.db2.gz WKDRHXQLRVVPHO-TZMCWYRMSA-N 1 2 314.364 2.597 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCc2cc(F)ccc21 ZINC000329632864 336020505 /nfs/dbraw/zinc/02/05/05/336020505.db2.gz WKDRHXQLRVVPHO-TZMCWYRMSA-N 1 2 314.364 2.597 20 30 DFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000329668450 336034469 /nfs/dbraw/zinc/03/44/69/336034469.db2.gz QZLVDJWFBDYWHZ-WFASDCNBSA-N 1 2 305.765 2.871 20 30 DFEDLO COC(=O)C[C@](C)([NH2+]CC#Cc1ccccc1)c1ccccn1 ZINC000351814199 336070012 /nfs/dbraw/zinc/07/00/12/336070012.db2.gz JICQDMQFYRFMNQ-IBGZPJMESA-N 1 2 308.381 2.501 20 30 DFEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)ccc2[nH+]1 ZINC000329724919 336070777 /nfs/dbraw/zinc/07/07/77/336070777.db2.gz GBWKFCSPMPGWJD-HIFRSBDPSA-N 1 2 314.389 2.926 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329760766 336079061 /nfs/dbraw/zinc/07/90/61/336079061.db2.gz QPHXOIKZTRCFRL-KBPBESRZSA-N 1 2 308.451 2.547 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329760766 336079063 /nfs/dbraw/zinc/07/90/63/336079063.db2.gz QPHXOIKZTRCFRL-KBPBESRZSA-N 1 2 308.451 2.547 20 30 DFEDLO CCc1nnc(C)cc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000329788015 336081832 /nfs/dbraw/zinc/08/18/32/336081832.db2.gz RPARBQUXLBZOEO-ZDUSSCGKSA-N 1 2 313.405 2.735 20 30 DFEDLO CC(C)(CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329790989 336082097 /nfs/dbraw/zinc/08/20/97/336082097.db2.gz DEXFJEZBYCAANX-ARFHVFGLSA-N 1 2 323.481 2.570 20 30 DFEDLO O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCn2cc[nH+]c2C1 ZINC000329843877 336088539 /nfs/dbraw/zinc/08/85/39/336088539.db2.gz OEYXGCHTMUVRKZ-CQSZACIVSA-N 1 2 316.792 2.954 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329849824 336089002 /nfs/dbraw/zinc/08/90/02/336089002.db2.gz ZLYPEVAHAPAJJJ-JTQLQIEISA-N 1 2 305.769 2.650 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329849824 336089004 /nfs/dbraw/zinc/08/90/04/336089004.db2.gz ZLYPEVAHAPAJJJ-JTQLQIEISA-N 1 2 305.769 2.650 20 30 DFEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc(=O)[nH]1 ZINC000329907023 336094103 /nfs/dbraw/zinc/09/41/03/336094103.db2.gz KNTCMQUAPIQRSS-UHFFFAOYSA-N 1 2 318.402 2.739 20 30 DFEDLO CO[C@]1(C)CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329954023 336099511 /nfs/dbraw/zinc/09/95/11/336099511.db2.gz JSQVAWLALNSUML-RHSMWYFYSA-N 1 2 320.437 2.566 20 30 DFEDLO Cc1cn2cc(NC(=O)N3C[C@@H](C)O[C@H](C4CC4)C3)ccc2[nH+]1 ZINC000329965477 336100682 /nfs/dbraw/zinc/10/06/82/336100682.db2.gz VEBRIIJCZZUQIX-DOMZBBRYSA-N 1 2 314.389 2.688 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330048586 336109204 /nfs/dbraw/zinc/10/92/04/336109204.db2.gz KELRKUXYYQSAHA-CQSZACIVSA-N 1 2 320.437 2.648 20 30 DFEDLO CCN1CCN(C(=O)Nc2ccccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330061882 336110484 /nfs/dbraw/zinc/11/04/84/336110484.db2.gz OQXOPVBTYIZXKV-HNNXBMFYSA-N 1 2 313.405 2.642 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121362 336115457 /nfs/dbraw/zinc/11/54/57/336115457.db2.gz JNXUOZMPDIDDHP-IIDMSEBBSA-N 1 2 318.417 2.933 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121362 336115458 /nfs/dbraw/zinc/11/54/58/336115458.db2.gz JNXUOZMPDIDDHP-IIDMSEBBSA-N 1 2 318.417 2.933 20 30 DFEDLO CC(C)C1CCC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330168482 336120266 /nfs/dbraw/zinc/12/02/66/336120266.db2.gz AXFJYONRALWLLT-YMAMQOFZSA-N 1 2 304.438 2.916 20 30 DFEDLO CC(C)C1CCC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330168482 336120269 /nfs/dbraw/zinc/12/02/69/336120269.db2.gz AXFJYONRALWLLT-YMAMQOFZSA-N 1 2 304.438 2.916 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000330190913 336122604 /nfs/dbraw/zinc/12/26/04/336122604.db2.gz MRQFZFKCFCOMCN-WJTFHPDPSA-N 1 2 314.433 2.622 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000330190913 336122605 /nfs/dbraw/zinc/12/26/05/336122605.db2.gz MRQFZFKCFCOMCN-WJTFHPDPSA-N 1 2 314.433 2.622 20 30 DFEDLO C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202720 336123815 /nfs/dbraw/zinc/12/38/15/336123815.db2.gz ZQWKRKGBDLUAQX-UKRRQHHQSA-N 1 2 310.401 2.731 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330267164 336131604 /nfs/dbraw/zinc/13/16/04/336131604.db2.gz HZHYCYHNHGHXFY-CABCVRRESA-N 1 2 304.438 2.870 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000330277202 336132818 /nfs/dbraw/zinc/13/28/18/336132818.db2.gz NXSDZAIXQOFCHV-ZDUSSCGKSA-N 1 2 304.438 2.870 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330321721 336158093 /nfs/dbraw/zinc/15/80/93/336158093.db2.gz GFFHXCLKWLEQHP-HGTKMLMNSA-N 1 2 320.437 2.723 20 30 DFEDLO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2C#N)nnc1-c1ccc(Cl)cc1 ZINC000332224920 336163921 /nfs/dbraw/zinc/16/39/21/336163921.db2.gz ZKWKNRZWNDOSJV-TZMCWYRMSA-N 1 2 315.808 2.917 20 30 DFEDLO C[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000333577740 336206267 /nfs/dbraw/zinc/20/62/67/336206267.db2.gz QTVOREUNNLWREM-RKVPGOIHSA-N 1 2 312.417 2.767 20 30 DFEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCC(C)(C)C#N)s1 ZINC000352357434 336214054 /nfs/dbraw/zinc/21/40/54/336214054.db2.gz NBEJMCTXGUNJFM-UHFFFAOYSA-N 1 2 323.466 2.547 20 30 DFEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCC(C)(C)C#N)s1 ZINC000352357434 336214055 /nfs/dbraw/zinc/21/40/55/336214055.db2.gz NBEJMCTXGUNJFM-UHFFFAOYSA-N 1 2 323.466 2.547 20 30 DFEDLO CC#CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352457454 336220368 /nfs/dbraw/zinc/22/03/68/336220368.db2.gz DDESSPLNLBICGY-UHFFFAOYSA-N 1 2 322.206 2.764 20 30 DFEDLO CC#CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352457454 336220370 /nfs/dbraw/zinc/22/03/70/336220370.db2.gz DDESSPLNLBICGY-UHFFFAOYSA-N 1 2 322.206 2.764 20 30 DFEDLO CC#CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000352457454 336220371 /nfs/dbraw/zinc/22/03/71/336220371.db2.gz DDESSPLNLBICGY-UHFFFAOYSA-N 1 2 322.206 2.764 20 30 DFEDLO CC#CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000352457454 336220372 /nfs/dbraw/zinc/22/03/72/336220372.db2.gz DDESSPLNLBICGY-UHFFFAOYSA-N 1 2 322.206 2.764 20 30 DFEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458972 336220458 /nfs/dbraw/zinc/22/04/58/336220458.db2.gz RFONHHHTYJOCLI-CYBMUJFWSA-N 1 2 303.381 2.904 20 30 DFEDLO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352483269 336221413 /nfs/dbraw/zinc/22/14/13/336221413.db2.gz HXSFHHHTXXHNRW-LSDHHAIUSA-N 1 2 317.408 2.622 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000352539852 336223309 /nfs/dbraw/zinc/22/33/09/336223309.db2.gz DITCHNWDMDVXCJ-CABCVRRESA-N 1 2 301.434 2.872 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C[C@H](C)C#N ZINC000103469595 336241021 /nfs/dbraw/zinc/24/10/21/336241021.db2.gz XFHYTBYBIRXCHH-CYBMUJFWSA-N 1 2 301.390 2.699 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C[C@H](C)C#N ZINC000103469595 336241022 /nfs/dbraw/zinc/24/10/22/336241022.db2.gz XFHYTBYBIRXCHH-CYBMUJFWSA-N 1 2 301.390 2.699 20 30 DFEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000526295951 336243075 /nfs/dbraw/zinc/24/30/75/336243075.db2.gz DOFKWFRWYJYHFI-LBPRGKRZSA-N 1 2 320.462 2.569 20 30 DFEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000526295951 336243076 /nfs/dbraw/zinc/24/30/76/336243076.db2.gz DOFKWFRWYJYHFI-LBPRGKRZSA-N 1 2 320.462 2.569 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC ZINC000352905546 336375751 /nfs/dbraw/zinc/37/57/51/336375751.db2.gz YPRZUTZWAUZXMF-HNNXBMFYSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCC ZINC000352905546 336375752 /nfs/dbraw/zinc/37/57/52/336375752.db2.gz YPRZUTZWAUZXMF-HNNXBMFYSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC ZINC000352905548 336375800 /nfs/dbraw/zinc/37/58/00/336375800.db2.gz YPRZUTZWAUZXMF-OAHLLOKOSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCC ZINC000352905548 336375801 /nfs/dbraw/zinc/37/58/01/336375801.db2.gz YPRZUTZWAUZXMF-OAHLLOKOSA-N 1 2 306.454 2.757 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 ZINC000525893921 336382868 /nfs/dbraw/zinc/38/28/68/336382868.db2.gz WKRPWUJQPPLQQR-LLVKDONJSA-N 1 2 320.462 2.654 20 30 DFEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccco1 ZINC000193080357 336395487 /nfs/dbraw/zinc/39/54/87/336395487.db2.gz OUOPCLOCPCBIMU-UHFFFAOYSA-N 1 2 313.386 2.994 20 30 DFEDLO N#CC[C@@H](CC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000356522334 336553040 /nfs/dbraw/zinc/55/30/40/336553040.db2.gz UVFGEPFECSMLEG-DLBZAZTESA-N 1 2 322.412 2.964 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000362543203 336803333 /nfs/dbraw/zinc/80/33/33/336803333.db2.gz OWCZNHQLDOEKHW-RISCZKNCSA-N 1 2 302.353 2.522 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000375333361 337008209 /nfs/dbraw/zinc/00/82/09/337008209.db2.gz PFNNTCYALHQJRT-GOSISDBHSA-N 1 2 303.402 2.871 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000375333361 337008210 /nfs/dbraw/zinc/00/82/10/337008210.db2.gz PFNNTCYALHQJRT-GOSISDBHSA-N 1 2 303.402 2.871 20 30 DFEDLO C=CCCCCCCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000376373271 337032213 /nfs/dbraw/zinc/03/22/13/337032213.db2.gz WASUSSYIOYURIH-UHFFFAOYSA-N 1 2 321.509 2.799 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376615220 337038214 /nfs/dbraw/zinc/03/82/14/337038214.db2.gz NSCWQXHIZKFFRK-HOCLYGCPSA-N 1 2 322.412 2.731 20 30 DFEDLO C#CCCCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000377133698 337047347 /nfs/dbraw/zinc/04/73/47/337047347.db2.gz XSILEPHBVFZDRY-MRXNPFEDSA-N 1 2 304.821 2.959 20 30 DFEDLO C#CCCCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000377133698 337047348 /nfs/dbraw/zinc/04/73/48/337047348.db2.gz XSILEPHBVFZDRY-MRXNPFEDSA-N 1 2 304.821 2.959 20 30 DFEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1c1ccccc1Cl ZINC000377132922 337047437 /nfs/dbraw/zinc/04/74/37/337047437.db2.gz WHLISFQAKYBKLV-HNNXBMFYSA-N 1 2 317.820 2.849 20 30 DFEDLO C[N@H+]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1c1ccccc1Cl ZINC000377132922 337047438 /nfs/dbraw/zinc/04/74/38/337047438.db2.gz WHLISFQAKYBKLV-HNNXBMFYSA-N 1 2 317.820 2.849 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378079798 337066170 /nfs/dbraw/zinc/06/61/70/337066170.db2.gz NJFQCKQBEQYWEX-GJZGRUSLSA-N 1 2 323.400 2.611 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378079798 337066171 /nfs/dbraw/zinc/06/61/71/337066171.db2.gz NJFQCKQBEQYWEX-GJZGRUSLSA-N 1 2 323.400 2.611 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000378342318 337070351 /nfs/dbraw/zinc/07/03/51/337070351.db2.gz ODWQVOCFHGSMPA-CYBMUJFWSA-N 1 2 322.792 2.541 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000378342318 337070352 /nfs/dbraw/zinc/07/03/52/337070352.db2.gz ODWQVOCFHGSMPA-CYBMUJFWSA-N 1 2 322.792 2.541 20 30 DFEDLO C#CCCCCC(=O)N(CC)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000378409518 337072282 /nfs/dbraw/zinc/07/22/82/337072282.db2.gz ZHPWYEIXSBSKPV-GOSISDBHSA-N 1 2 324.428 2.947 20 30 DFEDLO C=CCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000175419400 337145912 /nfs/dbraw/zinc/14/59/12/337145912.db2.gz WSQLACCJQHEEOE-UHFFFAOYSA-N 1 2 301.434 2.729 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)CC1CC1 ZINC000176253779 337149891 /nfs/dbraw/zinc/14/98/91/337149891.db2.gz MTWWOMMUYNJEPK-IAGOWNOFSA-N 1 2 303.450 2.793 20 30 DFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)CC1CC1 ZINC000176253779 337149892 /nfs/dbraw/zinc/14/98/92/337149892.db2.gz MTWWOMMUYNJEPK-IAGOWNOFSA-N 1 2 303.450 2.793 20 30 DFEDLO C=CCc1cc(C[N@@H+](CC(=O)OCC)C(C)C)cc(OC)c1O ZINC000179424434 337169464 /nfs/dbraw/zinc/16/94/64/337169464.db2.gz WTZPEEZRXDKWNZ-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO C=CCc1cc(C[N@H+](CC(=O)OCC)C(C)C)cc(OC)c1O ZINC000179424434 337169465 /nfs/dbraw/zinc/16/94/65/337169465.db2.gz WTZPEEZRXDKWNZ-UHFFFAOYSA-N 1 2 321.417 2.903 20 30 DFEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000180410661 337174214 /nfs/dbraw/zinc/17/42/14/337174214.db2.gz FILXDMDRLUACOS-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO C=C(C)C[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000181323237 337181254 /nfs/dbraw/zinc/18/12/54/337181254.db2.gz XMYAVGNHYRZXCE-LBPRGKRZSA-N 1 2 315.186 2.623 20 30 DFEDLO C=C(C)C[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000181323237 337181255 /nfs/dbraw/zinc/18/12/55/337181255.db2.gz XMYAVGNHYRZXCE-LBPRGKRZSA-N 1 2 315.186 2.623 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000582939989 337219919 /nfs/dbraw/zinc/21/99/19/337219919.db2.gz HXVJKCOMXZWORI-HXUWFJFHSA-N 1 2 321.424 2.856 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000185585203 337249102 /nfs/dbraw/zinc/24/91/02/337249102.db2.gz ADDANHXLGUXZHR-UHFFFAOYSA-N 1 2 319.474 2.535 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000185585203 337249103 /nfs/dbraw/zinc/24/91/03/337249103.db2.gz ADDANHXLGUXZHR-UHFFFAOYSA-N 1 2 319.474 2.535 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189814883 337283223 /nfs/dbraw/zinc/28/32/23/337283223.db2.gz ROMMPKWLGUZLJU-HNNXBMFYSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189814883 337283224 /nfs/dbraw/zinc/28/32/24/337283224.db2.gz ROMMPKWLGUZLJU-HNNXBMFYSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000191108142 337294096 /nfs/dbraw/zinc/29/40/96/337294096.db2.gz MWSFJWMAFDPVLD-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000191108142 337294097 /nfs/dbraw/zinc/29/40/97/337294097.db2.gz MWSFJWMAFDPVLD-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000191757733 337299844 /nfs/dbraw/zinc/29/98/44/337299844.db2.gz HRXXROLBURTHMO-UHFFFAOYSA-N 1 2 324.787 2.694 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000191757733 337299845 /nfs/dbraw/zinc/29/98/45/337299845.db2.gz HRXXROLBURTHMO-UHFFFAOYSA-N 1 2 324.787 2.694 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192108062 337302958 /nfs/dbraw/zinc/30/29/58/337302958.db2.gz DNOICFDGXABXHB-OAQYLSRUSA-N 1 2 315.420 2.921 20 30 DFEDLO C[C@@H](NC(=O)NCC1(C#N)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000419464269 337485588 /nfs/dbraw/zinc/48/55/88/337485588.db2.gz NDIOQAOYHZRMNG-CQSZACIVSA-N 1 2 323.400 2.926 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccn1 ZINC000527537331 337751306 /nfs/dbraw/zinc/75/13/06/337751306.db2.gz AXVLRYCNOVVSBI-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424560397 337862456 /nfs/dbraw/zinc/86/24/56/337862456.db2.gz HRHIGBWGRZYSEI-KRWDZBQOSA-N 1 2 316.445 2.778 20 30 DFEDLO C=CCC1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CCOCC1 ZINC000424657277 337943980 /nfs/dbraw/zinc/94/39/80/337943980.db2.gz DJFLHAHEEHYCEC-UHFFFAOYSA-N 1 2 313.401 2.632 20 30 DFEDLO C[C@@H](CC(=O)Nc1ncccc1OCCCC#N)n1cc[nH+]c1 ZINC000516475098 338013130 /nfs/dbraw/zinc/01/31/30/338013130.db2.gz DLDMQUNDYBECJF-ZDUSSCGKSA-N 1 2 313.361 2.550 20 30 DFEDLO CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425867817 338017939 /nfs/dbraw/zinc/01/79/39/338017939.db2.gz RYDHLBKWRKTVPH-IMJJTQAJSA-N 1 2 323.400 2.833 20 30 DFEDLO C=CCN(CCC#N)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000428833925 338061656 /nfs/dbraw/zinc/06/16/56/338061656.db2.gz KNGNGRZLICQRMV-AWEZNQCLSA-N 1 2 323.400 2.805 20 30 DFEDLO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCC[C@H]2C#N)cn1 ZINC000430080121 338095100 /nfs/dbraw/zinc/09/51/00/338095100.db2.gz AZVHKBBIJFBOSK-GOEBONIOSA-N 1 2 308.385 2.934 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000433051990 338178570 /nfs/dbraw/zinc/17/85/70/338178570.db2.gz KDTFVUAYWFYGCE-IVZQSRNASA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000433051990 338178571 /nfs/dbraw/zinc/17/85/71/338178571.db2.gz KDTFVUAYWFYGCE-IVZQSRNASA-N 1 2 320.458 2.712 20 30 DFEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433312405 338191574 /nfs/dbraw/zinc/19/15/74/338191574.db2.gz LXLBSRYMQIIMDN-UHFFFAOYSA-N 1 2 313.854 2.841 20 30 DFEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433312405 338191575 /nfs/dbraw/zinc/19/15/75/338191575.db2.gz LXLBSRYMQIIMDN-UHFFFAOYSA-N 1 2 313.854 2.841 20 30 DFEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000433313974 338191814 /nfs/dbraw/zinc/19/18/14/338191814.db2.gz SKYYWWTYFDZCQG-GFCCVEGCSA-N 1 2 307.825 2.999 20 30 DFEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000433313974 338191815 /nfs/dbraw/zinc/19/18/15/338191815.db2.gz SKYYWWTYFDZCQG-GFCCVEGCSA-N 1 2 307.825 2.999 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000435537732 338241804 /nfs/dbraw/zinc/24/18/04/338241804.db2.gz YBHYUEKTCXGEMX-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000435537732 338241805 /nfs/dbraw/zinc/24/18/05/338241805.db2.gz YBHYUEKTCXGEMX-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO CCCn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000155257100 338258763 /nfs/dbraw/zinc/25/87/63/338258763.db2.gz AVJOOROLFVKBMR-LJQANCHMSA-N 1 2 323.444 2.676 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000437528592 338312880 /nfs/dbraw/zinc/31/28/80/338312880.db2.gz YBCGOUBALMCZDY-WBVHZDCISA-N 1 2 311.385 2.583 20 30 DFEDLO C=CCSCC[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000438300620 338338972 /nfs/dbraw/zinc/33/89/72/338338972.db2.gz DPAHHKXWYJUGGE-CQSZACIVSA-N 1 2 313.850 2.933 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)c2[nH+]ccn21 ZINC000456427577 338929590 /nfs/dbraw/zinc/92/95/90/338929590.db2.gz RBQMLGSIBOKDKL-SMDDNHRTSA-N 1 2 312.398 2.935 20 30 DFEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456706192 338937625 /nfs/dbraw/zinc/93/76/25/338937625.db2.gz VHMVKQLZHPIGKX-APPDUMDISA-N 1 2 314.389 2.776 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456706195 338937677 /nfs/dbraw/zinc/93/76/77/338937677.db2.gz VHMVKQLZHPIGKX-DIFFPNOSSA-N 1 2 314.389 2.776 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459094174 339013534 /nfs/dbraw/zinc/01/35/34/339013534.db2.gz CSTOPIVCZNQXJX-UKRRQHHQSA-N 1 2 314.389 2.922 20 30 DFEDLO CC(C)(CC#N)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000459261711 339018204 /nfs/dbraw/zinc/01/82/04/339018204.db2.gz SGISTBHAIQARLB-UHFFFAOYSA-N 1 2 303.410 2.513 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)CC#N)c1C ZINC000459261955 339018255 /nfs/dbraw/zinc/01/82/55/339018255.db2.gz SPJXHOLCAQUYRV-UHFFFAOYSA-N 1 2 318.421 2.788 20 30 DFEDLO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1nc2ccccc2s1 ZINC000459462444 339030533 /nfs/dbraw/zinc/03/05/33/339030533.db2.gz JUVUTJNQWSGJFP-RYUDHWBXSA-N 1 2 314.414 2.541 20 30 DFEDLO COCC[N@H+](CC#Cc1ccccc1)Cc1c(C)nn(C)c1C ZINC000459568260 339036316 /nfs/dbraw/zinc/03/63/16/339036316.db2.gz BGQANKJUAJVSHJ-UHFFFAOYSA-N 1 2 311.429 2.537 20 30 DFEDLO COCC[N@@H+](CC#Cc1ccccc1)Cc1c(C)nn(C)c1C ZINC000459568260 339036317 /nfs/dbraw/zinc/03/63/17/339036317.db2.gz BGQANKJUAJVSHJ-UHFFFAOYSA-N 1 2 311.429 2.537 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295978 339230230 /nfs/dbraw/zinc/23/02/30/339230230.db2.gz XDIQQUWPMKIUJJ-UAGQMJEPSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295978 339230231 /nfs/dbraw/zinc/23/02/31/339230231.db2.gz XDIQQUWPMKIUJJ-UAGQMJEPSA-N 1 2 317.816 2.965 20 30 DFEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000472854840 339378750 /nfs/dbraw/zinc/37/87/50/339378750.db2.gz UPXHNSSBMBSIQV-UHFFFAOYSA-N 1 2 307.463 2.932 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(F)cc1 ZINC000491485231 339863881 /nfs/dbraw/zinc/86/38/81/339863881.db2.gz NJAKUOMHAYFNSR-LJQANCHMSA-N 1 2 320.371 2.930 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000491670316 339872743 /nfs/dbraw/zinc/87/27/43/339872743.db2.gz LXJUROKLCWHTHX-GJZGRUSLSA-N 1 2 314.433 2.520 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000491701369 339874712 /nfs/dbraw/zinc/87/47/12/339874712.db2.gz PQOCVOUBCXOGQN-MRXNPFEDSA-N 1 2 310.401 2.719 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccc2ccccc12 ZINC000493306537 339922673 /nfs/dbraw/zinc/92/26/73/339922673.db2.gz RZYRYFALRLTIAY-TZZQJPOUSA-N 1 2 307.397 2.813 20 30 DFEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCC2CC2)cc1 ZINC000495341519 339981132 /nfs/dbraw/zinc/98/11/32/339981132.db2.gz DBTIALKDQDGJJR-UHFFFAOYSA-N 1 2 319.405 2.758 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC(C)(C#N)C2)CC1 ZINC000496324401 340003115 /nfs/dbraw/zinc/00/31/15/340003115.db2.gz LYYJZPQTANAQGK-UHFFFAOYSA-N 1 2 307.438 2.869 20 30 DFEDLO CC(C)Sc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000522011433 340562557 /nfs/dbraw/zinc/56/25/57/340562557.db2.gz MHXJDACFRJHWEY-UHFFFAOYSA-N 1 2 317.458 2.745 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000128313187 340873433 /nfs/dbraw/zinc/87/34/33/340873433.db2.gz HZSOWYBSBPLSOI-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO N#CCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000543834221 341060913 /nfs/dbraw/zinc/06/09/13/341060913.db2.gz DHQXKXUASSWOOG-UHFFFAOYSA-N 1 2 308.385 2.697 20 30 DFEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075006037 341159681 /nfs/dbraw/zinc/15/96/81/341159681.db2.gz CQFBVQVQWREYLU-NSHDSACASA-N 1 2 319.243 2.836 20 30 DFEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075006037 341159682 /nfs/dbraw/zinc/15/96/82/341159682.db2.gz CQFBVQVQWREYLU-NSHDSACASA-N 1 2 319.243 2.836 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134027859 341204729 /nfs/dbraw/zinc/20/47/29/341204729.db2.gz UBZDCGVCMSEODZ-AWEZNQCLSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134027859 341204730 /nfs/dbraw/zinc/20/47/30/341204730.db2.gz UBZDCGVCMSEODZ-AWEZNQCLSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1F ZINC000079889084 341267185 /nfs/dbraw/zinc/26/71/85/341267185.db2.gz ZMTFVGZTXUIKHQ-UHFFFAOYSA-N 1 2 318.314 2.834 20 30 DFEDLO C=CC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1F ZINC000079889084 341267186 /nfs/dbraw/zinc/26/71/86/341267186.db2.gz ZMTFVGZTXUIKHQ-UHFFFAOYSA-N 1 2 318.314 2.834 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798924 341276199 /nfs/dbraw/zinc/27/61/99/341276199.db2.gz SPNWBUMFVGUCES-AWEZNQCLSA-N 1 2 315.417 2.669 20 30 DFEDLO C=CCOCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000549695213 341300779 /nfs/dbraw/zinc/30/07/79/341300779.db2.gz XRGADHSTJQTBLZ-UHFFFAOYSA-N 1 2 314.389 2.629 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245810747 341315325 /nfs/dbraw/zinc/31/53/25/341315325.db2.gz QTWSVNKKPJYSDK-JKSUJKDBSA-N 1 2 312.417 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245810747 341315326 /nfs/dbraw/zinc/31/53/26/341315326.db2.gz QTWSVNKKPJYSDK-JKSUJKDBSA-N 1 2 312.417 2.803 20 30 DFEDLO CCOc1cc2c(cc1C[NH2+]C[C@H](C#N)CCC#N)O[C@@H](C)C2 ZINC000551660530 341348292 /nfs/dbraw/zinc/34/82/92/341348292.db2.gz HVFASVNCVJJSJC-KBPBESRZSA-N 1 2 313.401 2.942 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000552017769 341361345 /nfs/dbraw/zinc/36/13/45/341361345.db2.gz ZMVBSICTZIMHRT-CQSZACIVSA-N 1 2 300.381 2.959 20 30 DFEDLO Clc1ccc(C#CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000145257846 341423122 /nfs/dbraw/zinc/42/31/22/341423122.db2.gz CHBFRKQEHIIOSS-UHFFFAOYSA-N 1 2 317.845 2.970 20 30 DFEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC000553817035 341436429 /nfs/dbraw/zinc/43/64/29/341436429.db2.gz MSBXPBIXZRDUJH-OAGGEKHMSA-N 1 2 320.396 2.595 20 30 DFEDLO Cn1ncc(Cl)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554558883 341457854 /nfs/dbraw/zinc/45/78/54/341457854.db2.gz KLGARLZSYHSHOS-UHFFFAOYSA-N 1 2 315.808 2.526 20 30 DFEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCC(C)(C)CC#N)C(F)(F)F ZINC000565208320 341520105 /nfs/dbraw/zinc/52/01/05/341520105.db2.gz MFBGFGSCAYGPFK-JTQLQIEISA-N 1 2 316.327 2.512 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566564282 341561961 /nfs/dbraw/zinc/56/19/61/341561961.db2.gz TWASJGLATAKWNJ-OAHLLOKOSA-N 1 2 302.422 2.624 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000156266669 341619077 /nfs/dbraw/zinc/61/90/77/341619077.db2.gz XIQGZPOMBSNKGR-RZIFZGNASA-N 1 2 308.385 2.894 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccc(Cl)cc1 ZINC000568638059 341677099 /nfs/dbraw/zinc/67/70/99/341677099.db2.gz KTBQMMIAEWGPCZ-INIZCTEOSA-N 1 2 307.825 2.623 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000572992507 341712696 /nfs/dbraw/zinc/71/26/96/341712696.db2.gz PAFAHMRYSYYJPG-LLVKDONJSA-N 1 2 312.295 2.556 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000332477476 533729890 /nfs/dbraw/zinc/72/98/90/533729890.db2.gz XGWINVJGXBCEAF-UHFFFAOYSA-N 1 2 324.384 2.809 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000323766453 533807572 /nfs/dbraw/zinc/80/75/72/533807572.db2.gz YKTHSRIOSSUPSR-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000323766453 533807579 /nfs/dbraw/zinc/80/75/79/533807579.db2.gz YKTHSRIOSSUPSR-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000021585827 524137192 /nfs/dbraw/zinc/13/71/92/524137192.db2.gz XBKYOLQCOVKIPI-RISCZKNCSA-N 1 2 323.824 2.672 20 30 DFEDLO CCO[C@H]1C[C@](O)(CNc2cc(C)[nH+]c(C)c2C#N)C1(C)C ZINC000302670530 528164953 /nfs/dbraw/zinc/16/49/53/528164953.db2.gz DMBQFJCZJDBYIF-RDJZCZTQSA-N 1 2 303.406 2.548 20 30 DFEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000332582747 529063920 /nfs/dbraw/zinc/06/39/20/529063920.db2.gz IPZGGMDYQWWVDX-PBHICJAKSA-N 1 2 322.412 2.927 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682360712 545828885 /nfs/dbraw/zinc/82/88/85/545828885.db2.gz OXTUNYFCZNPBMZ-RHSMWYFYSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682360712 545828889 /nfs/dbraw/zinc/82/88/89/545828889.db2.gz OXTUNYFCZNPBMZ-RHSMWYFYSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819730022 599548555 /nfs/dbraw/zinc/54/85/55/599548555.db2.gz PWJMJXROGURTCM-UHFFFAOYSA-N 1 2 306.373 2.817 20 30 DFEDLO C=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000819730176 606488279 /nfs/dbraw/zinc/48/82/79/606488279.db2.gz RQQGNQOOLDNRNJ-UHFFFAOYSA-N 1 2 321.331 2.620 20 30 DFEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccc(N)cc1C ZINC000823958138 607964471 /nfs/dbraw/zinc/96/44/71/607964471.db2.gz DVCGZBNNHVBHJC-UHFFFAOYSA-N 1 2 307.361 2.593 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000278516696 214206186 /nfs/dbraw/zinc/20/61/86/214206186.db2.gz CBVJYAUPPUCTAD-LRDDRELGSA-N 1 2 323.462 2.641 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000278516696 214206188 /nfs/dbraw/zinc/20/61/88/214206188.db2.gz CBVJYAUPPUCTAD-LRDDRELGSA-N 1 2 323.462 2.641 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079103822 185158594 /nfs/dbraw/zinc/15/85/94/185158594.db2.gz HIOYSJNHNVFQTP-UHFFFAOYSA-N 1 2 300.406 2.565 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000311006007 231116973 /nfs/dbraw/zinc/11/69/73/231116973.db2.gz KTNROJJBFOOBLA-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000311006007 231116975 /nfs/dbraw/zinc/11/69/75/231116975.db2.gz KTNROJJBFOOBLA-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCCC[C@@H]3C#N)cn2c1 ZINC000596177682 398347868 /nfs/dbraw/zinc/34/78/68/398347868.db2.gz FHUNMCHLDXYTQC-UKRRQHHQSA-N 1 2 311.389 2.524 20 30 DFEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CCCC[C@@H]3C#N)[nH+]c2c1 ZINC000596186336 398351678 /nfs/dbraw/zinc/35/16/78/398351678.db2.gz UPBMCHJZVRWIJA-HIFRSBDPSA-N 1 2 311.389 2.524 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000596197479 398354422 /nfs/dbraw/zinc/35/44/22/398354422.db2.gz DNOGKGQZZGGOHK-GOEBONIOSA-N 1 2 323.400 2.754 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2c(C#N)cnn2C)CC1 ZINC000596225235 398361467 /nfs/dbraw/zinc/36/14/67/398361467.db2.gz PQLCDSFRZHVYPH-UHFFFAOYSA-N 1 2 320.400 2.791 20 30 DFEDLO CC(C)(C)c1cc(N2CC[C@@](O)(CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC000591974856 398366218 /nfs/dbraw/zinc/36/62/18/398366218.db2.gz LYPNZOZTRKQEDQ-SFHVURJKSA-N 1 2 316.449 2.926 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000007858089 398367219 /nfs/dbraw/zinc/36/72/19/398367219.db2.gz HZXKUFLFCAIWLN-GOSISDBHSA-N 1 2 317.408 2.845 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000007858089 398367223 /nfs/dbraw/zinc/36/72/23/398367223.db2.gz HZXKUFLFCAIWLN-GOSISDBHSA-N 1 2 317.408 2.845 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066311056 398368506 /nfs/dbraw/zinc/36/85/06/398368506.db2.gz JWJPCAMLUYCBIV-HNNXBMFYSA-N 1 2 313.401 2.529 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000596240931 398365488 /nfs/dbraw/zinc/36/54/88/398365488.db2.gz CKSPAYXKRPGQJD-UHFFFAOYSA-N 1 2 317.437 2.570 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000596240931 398365493 /nfs/dbraw/zinc/36/54/93/398365493.db2.gz CKSPAYXKRPGQJD-UHFFFAOYSA-N 1 2 317.437 2.570 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000066317338 398369217 /nfs/dbraw/zinc/36/92/17/398369217.db2.gz QWHLZEBNPINLIL-CQSZACIVSA-N 1 2 305.422 2.525 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)c2[nH+]ccn21 ZINC000592012858 398373506 /nfs/dbraw/zinc/37/35/06/398373506.db2.gz NCSSIYBHUBGRMS-OCCSQVGLSA-N 1 2 301.394 2.614 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)CCOCC2CC2)c(C#N)c1C ZINC000088601098 185259447 /nfs/dbraw/zinc/25/94/47/185259447.db2.gz ZXLPCCWYIZFJBC-UHFFFAOYSA-N 1 2 321.446 2.534 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOCC2CC2)c(C#N)c1C ZINC000088601098 185259448 /nfs/dbraw/zinc/25/94/48/185259448.db2.gz ZXLPCCWYIZFJBC-UHFFFAOYSA-N 1 2 321.446 2.534 20 30 DFEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCn2cc[nH+]c2)cc1 ZINC000066397577 398374784 /nfs/dbraw/zinc/37/47/84/398374784.db2.gz PBDUHRLWLVOJKU-INIZCTEOSA-N 1 2 310.401 2.952 20 30 DFEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCn2cc[nH+]c2)cc1 ZINC000066397576 398374989 /nfs/dbraw/zinc/37/49/89/398374989.db2.gz PBDUHRLWLVOJKU-MRXNPFEDSA-N 1 2 310.401 2.952 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000089968393 185272411 /nfs/dbraw/zinc/27/24/11/185272411.db2.gz NWZWNCCZFOFYKN-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075654 398377886 /nfs/dbraw/zinc/37/78/86/398377886.db2.gz XMRKIMBAKTUNNO-DLBZAZTESA-N 1 2 324.428 2.877 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075654 398377890 /nfs/dbraw/zinc/37/78/90/398377890.db2.gz XMRKIMBAKTUNNO-DLBZAZTESA-N 1 2 324.428 2.877 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCSCC1 ZINC000089981041 185274019 /nfs/dbraw/zinc/27/40/19/185274019.db2.gz QJYLFGVSMUAIAG-UHFFFAOYSA-N 1 2 309.822 2.589 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCSCC1 ZINC000089981041 185274020 /nfs/dbraw/zinc/27/40/20/185274020.db2.gz QJYLFGVSMUAIAG-UHFFFAOYSA-N 1 2 309.822 2.589 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3ccncc3C#N)C2)no1 ZINC000592066356 398378627 /nfs/dbraw/zinc/37/86/27/398378627.db2.gz WJNJKEJAMLPKTQ-AWEZNQCLSA-N 1 2 311.389 2.839 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)no1 ZINC000592066356 398378630 /nfs/dbraw/zinc/37/86/30/398378630.db2.gz WJNJKEJAMLPKTQ-AWEZNQCLSA-N 1 2 311.389 2.839 20 30 DFEDLO N#Cc1cnccc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000592109562 398385272 /nfs/dbraw/zinc/38/52/72/398385272.db2.gz XFHFSXOYAWOJTC-KRWDZBQOSA-N 1 2 307.401 2.892 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C#N)c1C ZINC000011759183 398384928 /nfs/dbraw/zinc/38/49/28/398384928.db2.gz RWHIFVXBDSJGIC-UHFFFAOYSA-N 1 2 315.348 2.978 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C#N)c1C ZINC000011759183 398384929 /nfs/dbraw/zinc/38/49/29/398384929.db2.gz RWHIFVXBDSJGIC-UHFFFAOYSA-N 1 2 315.348 2.978 20 30 DFEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000592116962 398386452 /nfs/dbraw/zinc/38/64/52/398386452.db2.gz UBDGBHBQCVGEQM-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000592116962 398386456 /nfs/dbraw/zinc/38/64/56/398386456.db2.gz UBDGBHBQCVGEQM-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000592121491 398386653 /nfs/dbraw/zinc/38/66/53/398386653.db2.gz QYMATOUGLJUIQT-UHFFFAOYSA-N 1 2 318.424 2.980 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000592123047 398387239 /nfs/dbraw/zinc/38/72/39/398387239.db2.gz PPZJCGHNNPEXSJ-INIZCTEOSA-N 1 2 301.777 2.820 20 30 DFEDLO C[C@H](C#N)C[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171551 398388396 /nfs/dbraw/zinc/38/83/96/398388396.db2.gz QOKIMZKLXWAANS-RDTXWAMCSA-N 1 2 322.412 2.678 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171551 398388399 /nfs/dbraw/zinc/38/83/99/398388399.db2.gz QOKIMZKLXWAANS-RDTXWAMCSA-N 1 2 322.412 2.678 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1C(=O)OC(C)(C)C ZINC000592134774 398388872 /nfs/dbraw/zinc/38/88/72/398388872.db2.gz JQHXZFSSPSIQTI-WCQYABFASA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C(=O)OC(C)(C)C ZINC000592134774 398388874 /nfs/dbraw/zinc/38/88/74/398388874.db2.gz JQHXZFSSPSIQTI-WCQYABFASA-N 1 2 321.446 2.814 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1Cl ZINC000581285943 398388949 /nfs/dbraw/zinc/38/89/49/398388949.db2.gz DIBHEQOEBRHWGC-CYBMUJFWSA-N 1 2 300.189 2.567 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000092507663 185323391 /nfs/dbraw/zinc/32/33/91/185323391.db2.gz PGEWAHLDCGYWFC-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000092507663 185323392 /nfs/dbraw/zinc/32/33/92/185323392.db2.gz PGEWAHLDCGYWFC-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(F)cc1 ZINC000092541604 185324814 /nfs/dbraw/zinc/32/48/14/185324814.db2.gz LZBXCZZNPSFVTK-UHFFFAOYSA-N 1 2 301.365 2.512 20 30 DFEDLO C#CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(F)cc1 ZINC000092541604 185324815 /nfs/dbraw/zinc/32/48/15/185324815.db2.gz LZBXCZZNPSFVTK-UHFFFAOYSA-N 1 2 301.365 2.512 20 30 DFEDLO CC[C@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581313599 398389731 /nfs/dbraw/zinc/38/97/31/398389731.db2.gz MAQHAIJYATZKQP-HOCLYGCPSA-N 1 2 305.447 2.517 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000592142256 398391481 /nfs/dbraw/zinc/39/14/81/398391481.db2.gz NJMRAUOCSDIVQJ-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000592142256 398391487 /nfs/dbraw/zinc/39/14/87/398391487.db2.gz NJMRAUOCSDIVQJ-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000592148387 398392640 /nfs/dbraw/zinc/39/26/40/398392640.db2.gz YCGDUMCERIBBAT-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000592148387 398392643 /nfs/dbraw/zinc/39/26/43/398392643.db2.gz YCGDUMCERIBBAT-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147147 398392656 /nfs/dbraw/zinc/39/26/56/398392656.db2.gz MDSXIUUFHXROFP-BDJLRTHQSA-N 1 2 320.343 2.843 20 30 DFEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147147 398392658 /nfs/dbraw/zinc/39/26/58/398392658.db2.gz MDSXIUUFHXROFP-BDJLRTHQSA-N 1 2 320.343 2.843 20 30 DFEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831738 185344731 /nfs/dbraw/zinc/34/47/31/185344731.db2.gz BHODOKTXENUXBB-INIZCTEOSA-N 1 2 314.410 2.729 20 30 DFEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831738 185344732 /nfs/dbraw/zinc/34/47/32/185344732.db2.gz BHODOKTXENUXBB-INIZCTEOSA-N 1 2 314.410 2.729 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000292954530 529815345 /nfs/dbraw/zinc/81/53/45/529815345.db2.gz CGTHWKODBRPZAM-MRXNPFEDSA-N 1 2 308.385 2.677 20 30 DFEDLO N#Cc1c(F)cccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022096976 398415920 /nfs/dbraw/zinc/41/59/20/398415920.db2.gz FNZHWGGGXLUUQL-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCC(F)CC1)c1cccc(C#N)c1 ZINC000592445639 398427264 /nfs/dbraw/zinc/42/72/64/398427264.db2.gz UCVNHCULJRENAI-MOQPWLNLSA-N 1 2 304.365 2.890 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000592521876 398440771 /nfs/dbraw/zinc/44/07/71/398440771.db2.gz CKELWERWSKHGLE-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000592521876 398440777 /nfs/dbraw/zinc/44/07/77/398440777.db2.gz CKELWERWSKHGLE-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000592522466 398440845 /nfs/dbraw/zinc/44/08/45/398440845.db2.gz NLYGNPDNPCQLCQ-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000592522466 398440847 /nfs/dbraw/zinc/44/08/47/398440847.db2.gz NLYGNPDNPCQLCQ-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO Cc1cc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592525835 398441727 /nfs/dbraw/zinc/44/17/27/398441727.db2.gz TUQAADMDDJZDPE-GFCCVEGCSA-N 1 2 315.236 2.670 20 30 DFEDLO Cc1cc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592525835 398441732 /nfs/dbraw/zinc/44/17/32/398441732.db2.gz TUQAADMDDJZDPE-GFCCVEGCSA-N 1 2 315.236 2.670 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000067652291 398448345 /nfs/dbraw/zinc/44/83/45/398448345.db2.gz NLRKHBDSAHZYOI-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000067652291 398448346 /nfs/dbraw/zinc/44/83/46/398448346.db2.gz NLRKHBDSAHZYOI-INIZCTEOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000067653185 398448359 /nfs/dbraw/zinc/44/83/59/398448359.db2.gz SKNYWEMRXTWINZ-GOSISDBHSA-N 1 2 324.428 2.644 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000067653185 398448362 /nfs/dbraw/zinc/44/83/62/398448362.db2.gz SKNYWEMRXTWINZ-GOSISDBHSA-N 1 2 324.428 2.644 20 30 DFEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000057907286 334953945 /nfs/dbraw/zinc/95/39/45/334953945.db2.gz AFGMBLTYFGENQJ-UHFFFAOYSA-N 1 2 311.307 2.879 20 30 DFEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067657885 398449007 /nfs/dbraw/zinc/44/90/07/398449007.db2.gz XWPAGZGQAXOROK-CPUCHLNUSA-N 1 2 315.417 2.631 20 30 DFEDLO Cc1nnc2n1CCC[C@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365382921 282352948 /nfs/dbraw/zinc/35/29/48/282352948.db2.gz DUUMLENCZCZHFS-CYBMUJFWSA-N 1 2 319.771 2.875 20 30 DFEDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc(C#N)n1 ZINC000587057553 398470624 /nfs/dbraw/zinc/47/06/24/398470624.db2.gz WLHOAHGSECOHQO-QGZVFWFLSA-N 1 2 303.369 2.619 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1F ZINC000028690748 398475405 /nfs/dbraw/zinc/47/54/05/398475405.db2.gz JQJWASPTSSKTED-BBRMVZONSA-N 1 2 311.364 2.682 20 30 DFEDLO C=CCOc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068253864 398490338 /nfs/dbraw/zinc/49/03/38/398490338.db2.gz DXXQQNFAPXXDIR-UHFFFAOYSA-N 1 2 322.408 2.997 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000596766979 398497046 /nfs/dbraw/zinc/49/70/46/398497046.db2.gz NRYUSWAVURFFQC-QXSJWSMHSA-N 1 2 315.421 2.558 20 30 DFEDLO N#CCCCOc1cccnc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068349185 398497797 /nfs/dbraw/zinc/49/77/97/398497797.db2.gz XVRAQZKSTFXBEY-UHFFFAOYSA-N 1 2 321.340 2.664 20 30 DFEDLO CO[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068388 398507422 /nfs/dbraw/zinc/50/74/22/398507422.db2.gz MWVNDWRPBCHIOT-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO CO[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091068388 398507425 /nfs/dbraw/zinc/50/74/25/398507425.db2.gz MWVNDWRPBCHIOT-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nsc(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC000588815165 398508791 /nfs/dbraw/zinc/50/87/91/398508791.db2.gz XUVWREFFPQYEHP-UHFFFAOYSA-N 1 2 314.414 2.899 20 30 DFEDLO COCC(C)(C)CCCNc1[nH+]cnc2c1cnn2CCC#N ZINC000588841089 398511013 /nfs/dbraw/zinc/51/10/13/398511013.db2.gz OXNQCXVLKUGRIE-UHFFFAOYSA-N 1 2 316.409 2.605 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596900739 398525311 /nfs/dbraw/zinc/52/53/11/398525311.db2.gz VPKXRSCZSWTWCI-ZIAGYGMSSA-N 1 2 324.384 2.821 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000589128931 398529505 /nfs/dbraw/zinc/52/95/05/398529505.db2.gz VGBOSQNSOAHDSS-INIZCTEOSA-N 1 2 308.385 2.588 20 30 DFEDLO CC(C)O[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000593053616 398532153 /nfs/dbraw/zinc/53/21/53/398532153.db2.gz IUUOMSDPTBRUEP-AWEZNQCLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC(C)O[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000593053616 398532157 /nfs/dbraw/zinc/53/21/57/398532157.db2.gz IUUOMSDPTBRUEP-AWEZNQCLSA-N 1 2 303.362 2.856 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000280878611 334966223 /nfs/dbraw/zinc/96/62/23/334966223.db2.gz BAERVPLTEKGCCI-HNNXBMFYSA-N 1 2 302.422 2.836 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736025 297248281 /nfs/dbraw/zinc/24/82/81/297248281.db2.gz VNTMRDVSLYERHT-BXUZGUMPSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736025 297248282 /nfs/dbraw/zinc/24/82/82/297248282.db2.gz VNTMRDVSLYERHT-BXUZGUMPSA-N 1 2 316.298 2.833 20 30 DFEDLO C#CCCCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279726434 215095419 /nfs/dbraw/zinc/09/54/19/215095419.db2.gz CFYOLGQUIAQOLE-UHFFFAOYSA-N 1 2 305.328 2.543 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000589349493 398547279 /nfs/dbraw/zinc/54/72/79/398547279.db2.gz ACRLPZATHMKGOY-CQSZACIVSA-N 1 2 313.336 2.763 20 30 DFEDLO CCC[C@@H](C#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000091968165 398551287 /nfs/dbraw/zinc/55/12/87/398551287.db2.gz PUKZWOMPWNCAGC-HOTGVXAUSA-N 1 2 317.458 2.585 20 30 DFEDLO COC(=O)c1cccc(OCC[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123830 398552209 /nfs/dbraw/zinc/55/22/09/398552209.db2.gz XXNXPIWWIQBMEX-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1cccc(OCC[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123830 398552213 /nfs/dbraw/zinc/55/22/13/398552213.db2.gz XXNXPIWWIQBMEX-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO CC(C)=CCOc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154407 398560037 /nfs/dbraw/zinc/56/00/37/398560037.db2.gz MECAMYJWGNOTDI-SFHVURJKSA-N 1 2 315.417 2.605 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279894974 215216057 /nfs/dbraw/zinc/21/60/57/215216057.db2.gz UYOCHYZDGGKBPH-BBRMVZONSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279894974 215216059 /nfs/dbraw/zinc/21/60/59/215216059.db2.gz UYOCHYZDGGKBPH-BBRMVZONSA-N 1 2 315.417 2.632 20 30 DFEDLO CCCc1nc(C)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000589988492 398587354 /nfs/dbraw/zinc/58/73/54/398587354.db2.gz KGGMZABEIYHPOJ-OAHLLOKOSA-N 1 2 304.438 2.601 20 30 DFEDLO Cc1cc(Br)cn2c(CN3CC(CC#N)C3)c[nH+]c12 ZINC000597203776 398589814 /nfs/dbraw/zinc/58/98/14/398589814.db2.gz OJWFFULJMJNJEE-UHFFFAOYSA-N 1 2 319.206 2.751 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000279979852 215285674 /nfs/dbraw/zinc/28/56/74/215285674.db2.gz JOYRPLQFHIIZJA-LLVKDONJSA-N 1 2 319.879 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000279979852 215285676 /nfs/dbraw/zinc/28/56/76/215285676.db2.gz JOYRPLQFHIIZJA-LLVKDONJSA-N 1 2 319.879 2.824 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000593312189 398595573 /nfs/dbraw/zinc/59/55/73/398595573.db2.gz NWRVQQXAFVZXLI-OAHLLOKOSA-N 1 2 310.401 2.760 20 30 DFEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000042978937 398608549 /nfs/dbraw/zinc/60/85/49/398608549.db2.gz NJRWVUJATYXJSE-KBXCAEBGSA-N 1 2 317.433 2.570 20 30 DFEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000042978937 398608551 /nfs/dbraw/zinc/60/85/51/398608551.db2.gz NJRWVUJATYXJSE-KBXCAEBGSA-N 1 2 317.433 2.570 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000351093526 398617317 /nfs/dbraw/zinc/61/73/17/398617317.db2.gz DARLGHUCCOQRIA-KGLIPLIRSA-N 1 2 310.357 2.675 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc([C@]2(C#N)C[C@H]2C)n1 ZINC000351093260 398617467 /nfs/dbraw/zinc/61/74/67/398617467.db2.gz QNSVZHGIYFXIEV-DIFFPNOSSA-N 1 2 307.357 2.772 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CC3(C#N)CCOCC3)ccc2n1C ZINC000597318283 398619726 /nfs/dbraw/zinc/61/97/26/398619726.db2.gz JUDZSMZEGAMWRE-UHFFFAOYSA-N 1 2 312.373 2.531 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c(C#N)c1C ZINC000072771762 398637021 /nfs/dbraw/zinc/63/70/21/398637021.db2.gz KKHDTUZGPBXKPB-NXEZZACHSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072768864 398635588 /nfs/dbraw/zinc/63/55/88/398635588.db2.gz XBLRZXCACNSZJR-UMNHJUIQSA-N 1 2 321.446 2.921 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072768864 398635593 /nfs/dbraw/zinc/63/55/93/398635593.db2.gz XBLRZXCACNSZJR-UMNHJUIQSA-N 1 2 321.446 2.921 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597435055 398639866 /nfs/dbraw/zinc/63/98/66/398639866.db2.gz HHWTVPKRDDPANI-AWEZNQCLSA-N 1 2 300.406 2.600 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@H](C)CC#N ZINC000597437404 398640288 /nfs/dbraw/zinc/64/02/88/398640288.db2.gz VEFMSVAGTOIATC-UKRRQHHQSA-N 1 2 310.401 2.886 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C#N)CC)CC2)s1 ZINC000593481218 398641803 /nfs/dbraw/zinc/64/18/03/398641803.db2.gz YRFFBLYCTOZQAP-CYBMUJFWSA-N 1 2 305.447 2.504 20 30 DFEDLO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648848 398645539 /nfs/dbraw/zinc/64/55/39/398645539.db2.gz GNTARXZCDNSVEQ-WMLDXEAASA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648848 398645541 /nfs/dbraw/zinc/64/55/41/398645541.db2.gz GNTARXZCDNSVEQ-WMLDXEAASA-N 1 2 320.458 2.819 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000593545461 398654382 /nfs/dbraw/zinc/65/43/82/398654382.db2.gz SVSFYZIOWWVVSF-RDJZCZTQSA-N 1 2 310.401 2.907 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172433150 198096542 /nfs/dbraw/zinc/09/65/42/198096542.db2.gz OPGZUGLIRJSCPX-LBPRGKRZSA-N 1 2 321.222 2.817 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172433150 198096543 /nfs/dbraw/zinc/09/65/43/198096543.db2.gz OPGZUGLIRJSCPX-LBPRGKRZSA-N 1 2 321.222 2.817 20 30 DFEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172589686 198119459 /nfs/dbraw/zinc/11/94/59/198119459.db2.gz IIFKMDYCFNLVTE-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172589686 198119461 /nfs/dbraw/zinc/11/94/61/198119461.db2.gz IIFKMDYCFNLVTE-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000590807881 398678849 /nfs/dbraw/zinc/67/88/49/398678849.db2.gz WEZAEGKFGWQWGA-OLZOCXBDSA-N 1 2 311.389 2.896 20 30 DFEDLO C=CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000080658595 192178906 /nfs/dbraw/zinc/17/89/06/192178906.db2.gz ZVAPTYPZTMYLBP-UHFFFAOYSA-N 1 2 302.422 2.516 20 30 DFEDLO CN(C)c1cc(NC(=O)CC2(C#N)CC2)[nH+]cc1Br ZINC000590881910 398694319 /nfs/dbraw/zinc/69/43/19/398694319.db2.gz QSSBKGWUJHCFGC-UHFFFAOYSA-N 1 2 323.194 2.542 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597784543 398694852 /nfs/dbraw/zinc/69/48/52/398694852.db2.gz HPYYDYMKEBZOGE-HOCLYGCPSA-N 1 2 320.396 2.580 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597784543 398694857 /nfs/dbraw/zinc/69/48/57/398694857.db2.gz HPYYDYMKEBZOGE-HOCLYGCPSA-N 1 2 320.396 2.580 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000046518170 398710820 /nfs/dbraw/zinc/71/08/20/398710820.db2.gz QMVUGGJKMRRYRN-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000046518170 398710824 /nfs/dbraw/zinc/71/08/24/398710824.db2.gz QMVUGGJKMRRYRN-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000593971782 398711402 /nfs/dbraw/zinc/71/14/02/398711402.db2.gz GQZOQBVRAMSAQC-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000593973601 398711439 /nfs/dbraw/zinc/71/14/39/398711439.db2.gz OQSCHJKAHKWNCE-UHFFFAOYSA-N 1 2 305.385 2.865 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C#N)cc1 ZINC000046519107 398711631 /nfs/dbraw/zinc/71/16/31/398711631.db2.gz KYKFFVKRKOJKKC-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C#N)cc1 ZINC000046519107 398711636 /nfs/dbraw/zinc/71/16/36/398711636.db2.gz KYKFFVKRKOJKKC-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000597905785 398717279 /nfs/dbraw/zinc/71/72/79/398717279.db2.gz RSMLPJFBIMWCST-KRWDZBQOSA-N 1 2 322.412 2.626 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051107 398718729 /nfs/dbraw/zinc/71/87/29/398718729.db2.gz DJKYYXMMQFBHTA-JKSUJKDBSA-N 1 2 301.386 2.568 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051107 398718732 /nfs/dbraw/zinc/71/87/32/398718732.db2.gz DJKYYXMMQFBHTA-JKSUJKDBSA-N 1 2 301.386 2.568 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C2 ZINC000591063680 398720477 /nfs/dbraw/zinc/72/04/77/398720477.db2.gz USKNYVHPJUKNQG-DLBZAZTESA-N 1 2 320.396 2.518 20 30 DFEDLO N#C[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC12CCCC2 ZINC000597942598 398724763 /nfs/dbraw/zinc/72/47/63/398724763.db2.gz CDOOQVNXLDPYCJ-LJQANCHMSA-N 1 2 324.428 2.772 20 30 DFEDLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H](C#N)CCC#N ZINC000594035214 398727399 /nfs/dbraw/zinc/72/73/99/398727399.db2.gz LSLZIQLDCKGRFU-GFCCVEGCSA-N 1 2 307.300 2.883 20 30 DFEDLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H](C#N)CCC#N ZINC000594035214 398727401 /nfs/dbraw/zinc/72/74/01/398727401.db2.gz LSLZIQLDCKGRFU-GFCCVEGCSA-N 1 2 307.300 2.883 20 30 DFEDLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H](C#N)CCC#N ZINC000594035220 398727431 /nfs/dbraw/zinc/72/74/31/398727431.db2.gz LSLZIQLDCKGRFU-LBPRGKRZSA-N 1 2 307.300 2.883 20 30 DFEDLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H](C#N)CCC#N ZINC000594035220 398727433 /nfs/dbraw/zinc/72/74/33/398727433.db2.gz LSLZIQLDCKGRFU-LBPRGKRZSA-N 1 2 307.300 2.883 20 30 DFEDLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccncc1C#N ZINC000594034795 398727501 /nfs/dbraw/zinc/72/75/01/398727501.db2.gz ISMORWBYSYHCNV-UHFFFAOYSA-N 1 2 317.295 2.907 20 30 DFEDLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccncc1C#N ZINC000594034795 398727503 /nfs/dbraw/zinc/72/75/03/398727503.db2.gz ISMORWBYSYHCNV-UHFFFAOYSA-N 1 2 317.295 2.907 20 30 DFEDLO C=CCCSCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000597968506 398729443 /nfs/dbraw/zinc/72/94/43/398729443.db2.gz WJVKZKZUDMZMIW-UHFFFAOYSA-N 1 2 303.431 2.770 20 30 DFEDLO C=CCCSCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000597970580 398729418 /nfs/dbraw/zinc/72/94/18/398729418.db2.gz SXMWUIPTXILWCY-UHFFFAOYSA-N 1 2 315.442 2.971 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000591186602 398736804 /nfs/dbraw/zinc/73/68/04/398736804.db2.gz HEURAVSLHPLNED-UONOGXRCSA-N 1 2 310.405 2.978 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000073868145 191350476 /nfs/dbraw/zinc/35/04/76/191350476.db2.gz UQAYJAKEVDFYBJ-KRWDZBQOSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000073868145 191350479 /nfs/dbraw/zinc/35/04/79/191350479.db2.gz UQAYJAKEVDFYBJ-KRWDZBQOSA-N 1 2 309.369 2.697 20 30 DFEDLO CCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074344026 398741457 /nfs/dbraw/zinc/74/14/57/398741457.db2.gz STLKHVLQWVVWOY-HNNXBMFYSA-N 1 2 314.433 2.574 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000598078039 398749102 /nfs/dbraw/zinc/74/91/02/398749102.db2.gz UVTKXLLHTMIBEQ-IAGOWNOFSA-N 1 2 308.385 2.744 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000598078048 398749259 /nfs/dbraw/zinc/74/92/59/398749259.db2.gz UVTKXLLHTMIBEQ-SJORKVTESA-N 1 2 308.385 2.744 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3ccc4c(c3)NC(=O)CC4)n2c1 ZINC000132899176 283133470 /nfs/dbraw/zinc/13/34/70/283133470.db2.gz RKWOZMLXJLLRJK-UHFFFAOYSA-N 1 2 317.352 2.703 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(F)c1 ZINC000052835096 283141145 /nfs/dbraw/zinc/14/11/45/283141145.db2.gz CKVQMPTWQXAQGS-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(F)c1 ZINC000052835096 283141146 /nfs/dbraw/zinc/14/11/46/283141146.db2.gz CKVQMPTWQXAQGS-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 ZINC000280345871 215557777 /nfs/dbraw/zinc/55/77/77/215557777.db2.gz HOAIQNLNDKWTDR-JSGCOSHPSA-N 1 2 308.328 2.797 20 30 DFEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000133873767 283164975 /nfs/dbraw/zinc/16/49/75/283164975.db2.gz RPYNSEKRGGUENE-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000134032273 283171213 /nfs/dbraw/zinc/17/12/13/283171213.db2.gz VJMPNWOUMMKUPA-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000134032273 283171217 /nfs/dbraw/zinc/17/12/17/283171217.db2.gz VJMPNWOUMMKUPA-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO C=CC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000120855927 398783953 /nfs/dbraw/zinc/78/39/53/398783953.db2.gz UJPYMGBBPPTFIY-HNNXBMFYSA-N 1 2 306.356 2.968 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000121081434 398785766 /nfs/dbraw/zinc/78/57/66/398785766.db2.gz XEMMLIANZACMCZ-LBPRGKRZSA-N 1 2 304.268 2.506 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000121081434 398785771 /nfs/dbraw/zinc/78/57/71/398785771.db2.gz XEMMLIANZACMCZ-LBPRGKRZSA-N 1 2 304.268 2.506 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000594354776 398786552 /nfs/dbraw/zinc/78/65/52/398786552.db2.gz OEELSFQVFDWJTB-HNNXBMFYSA-N 1 2 305.809 2.897 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC2)cc1 ZINC000594403949 398793829 /nfs/dbraw/zinc/79/38/29/398793829.db2.gz QRWIPATYCUGKQN-HNNXBMFYSA-N 1 2 320.396 2.513 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000136159089 283235720 /nfs/dbraw/zinc/23/57/20/283235720.db2.gz FWVNXXYVWNWYJM-CMDGGOBGSA-N 1 2 306.369 2.585 20 30 DFEDLO CCN(C(=O)C[N@H+](CC)Cc1ccccc1Cl)[C@H](C)C#N ZINC000598363519 398800505 /nfs/dbraw/zinc/80/05/05/398800505.db2.gz RALVYIRHRZULGE-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO CCN(C(=O)C[N@@H+](CC)Cc1ccccc1Cl)[C@H](C)C#N ZINC000598363519 398800507 /nfs/dbraw/zinc/80/05/07/398800507.db2.gz RALVYIRHRZULGE-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179168066 198992420 /nfs/dbraw/zinc/99/24/20/198992420.db2.gz OTQUSPBZYJSYJP-HNNXBMFYSA-N 1 2 321.384 2.662 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126095070 398811676 /nfs/dbraw/zinc/81/16/76/398811676.db2.gz NZXFNBKBBZSTIN-GOSISDBHSA-N 1 2 316.445 2.793 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126095070 398811678 /nfs/dbraw/zinc/81/16/78/398811678.db2.gz NZXFNBKBBZSTIN-GOSISDBHSA-N 1 2 316.445 2.793 20 30 DFEDLO Cc1cc(NC[C@H](C(=O)OC(C)(C)C)C(C)C)c(C#N)c[nH+]1 ZINC000594598577 398827885 /nfs/dbraw/zinc/82/78/85/398827885.db2.gz ITDRYHRTRFKKIQ-AWEZNQCLSA-N 1 2 303.406 2.709 20 30 DFEDLO Cc1[nH+]c2cc(CNc3nccnc3C#N)ccc2n1C1CC1 ZINC000594584556 398824506 /nfs/dbraw/zinc/82/45/06/398824506.db2.gz WEBGBRJIUABBPO-UHFFFAOYSA-N 1 2 304.357 2.953 20 30 DFEDLO Cc1nc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000594592309 398825691 /nfs/dbraw/zinc/82/56/91/398825691.db2.gz PTKQTDSSYDPHCG-SDDRHHMPSA-N 1 2 322.840 2.825 20 30 DFEDLO Cc1nc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N ZINC000594592309 398825695 /nfs/dbraw/zinc/82/56/95/398825695.db2.gz PTKQTDSSYDPHCG-SDDRHHMPSA-N 1 2 322.840 2.825 20 30 DFEDLO C[C@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592275 398825813 /nfs/dbraw/zinc/82/58/13/398825813.db2.gz PAQSBQRNPQLCEE-UTUOFQBUSA-N 1 2 309.360 2.746 20 30 DFEDLO C[C@H](CNc1c(F)cc(C#N)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592275 398825815 /nfs/dbraw/zinc/82/58/15/398825815.db2.gz PAQSBQRNPQLCEE-UTUOFQBUSA-N 1 2 309.360 2.746 20 30 DFEDLO COC(=O)COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594612096 398832983 /nfs/dbraw/zinc/83/29/83/398832983.db2.gz LHJVRHACQQFXSF-UHFFFAOYSA-N 1 2 322.364 2.626 20 30 DFEDLO COC(=O)COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594612096 398832986 /nfs/dbraw/zinc/83/29/86/398832986.db2.gz LHJVRHACQQFXSF-UHFFFAOYSA-N 1 2 322.364 2.626 20 30 DFEDLO CCOCCOC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594605362 398830938 /nfs/dbraw/zinc/83/09/38/398830938.db2.gz KZEWGPSDBRZYLV-UHFFFAOYSA-N 1 2 302.418 2.725 20 30 DFEDLO COCCN(C)c1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cn1 ZINC000594616024 398834625 /nfs/dbraw/zinc/83/46/25/398834625.db2.gz VUJHTYROWJKGRE-UHFFFAOYSA-N 1 2 322.412 2.552 20 30 DFEDLO COCCN(C)c1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cn1 ZINC000594616024 398834628 /nfs/dbraw/zinc/83/46/28/398834628.db2.gz VUJHTYROWJKGRE-UHFFFAOYSA-N 1 2 322.412 2.552 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153766 398843626 /nfs/dbraw/zinc/84/36/26/398843626.db2.gz HZVCAPVDKDALFL-ROUUACIJSA-N 1 2 311.429 2.627 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153766 398843627 /nfs/dbraw/zinc/84/36/27/398843627.db2.gz HZVCAPVDKDALFL-ROUUACIJSA-N 1 2 311.429 2.627 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153764 398844044 /nfs/dbraw/zinc/84/40/44/398844044.db2.gz HZVCAPVDKDALFL-ZWKOTPCHSA-N 1 2 311.429 2.627 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153764 398844048 /nfs/dbraw/zinc/84/40/48/398844048.db2.gz HZVCAPVDKDALFL-ZWKOTPCHSA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000598651536 398848406 /nfs/dbraw/zinc/84/84/06/398848406.db2.gz ZYCCLSRYFUGWNJ-YPMHNXCESA-N 1 2 313.392 2.741 20 30 DFEDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076408278 398854870 /nfs/dbraw/zinc/85/48/70/398854870.db2.gz VEDXMHVKWOFFFT-GXTWGEPZSA-N 1 2 319.405 2.596 20 30 DFEDLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076408278 398854873 /nfs/dbraw/zinc/85/48/73/398854873.db2.gz VEDXMHVKWOFFFT-GXTWGEPZSA-N 1 2 319.405 2.596 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCC[C@@H]2C(=O)OCC)cc(OC)c1O ZINC000180769222 199206711 /nfs/dbraw/zinc/20/67/11/199206711.db2.gz CKCKWMQNRUQNFN-OAHLLOKOSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)cc(OC)c1O ZINC000180769222 199206713 /nfs/dbraw/zinc/20/67/13/199206713.db2.gz CKCKWMQNRUQNFN-OAHLLOKOSA-N 1 2 319.401 2.657 20 30 DFEDLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090511 398903989 /nfs/dbraw/zinc/90/39/89/398903989.db2.gz GXQIFVTYWOTVNN-HNNXBMFYSA-N 1 2 320.458 2.912 20 30 DFEDLO CNC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187107044 200062902 /nfs/dbraw/zinc/06/29/02/200062902.db2.gz GJBSNQGWXUMKJO-UHFFFAOYSA-N 1 2 305.809 2.560 20 30 DFEDLO COCC[N@@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595348820 398925693 /nfs/dbraw/zinc/92/56/93/398925693.db2.gz VQBNKSVEPIIGGB-UHFFFAOYSA-N 1 2 300.374 2.919 20 30 DFEDLO COCC[N@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595348820 398925694 /nfs/dbraw/zinc/92/56/94/398925694.db2.gz VQBNKSVEPIIGGB-UHFFFAOYSA-N 1 2 300.374 2.919 20 30 DFEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@@H]1C ZINC000189270717 200373546 /nfs/dbraw/zinc/37/35/46/200373546.db2.gz HCYZAVXDKLJRRI-IINYFYTJSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC[C@@H]1C ZINC000189270717 200373547 /nfs/dbraw/zinc/37/35/47/200373547.db2.gz HCYZAVXDKLJRRI-IINYFYTJSA-N 1 2 321.446 2.532 20 30 DFEDLO C[N@H+](Cc1ccsc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000152900184 398934081 /nfs/dbraw/zinc/93/40/81/398934081.db2.gz RWVVJPDVHADYKA-ZDUSSCGKSA-N 1 2 317.439 2.919 20 30 DFEDLO C[N@@H+](Cc1ccsc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000152900184 398934083 /nfs/dbraw/zinc/93/40/83/398934083.db2.gz RWVVJPDVHADYKA-ZDUSSCGKSA-N 1 2 317.439 2.919 20 30 DFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(C#N)ccc1F ZINC000155414585 398946249 /nfs/dbraw/zinc/94/62/49/398946249.db2.gz BOELOHYRBMTIFN-UHFFFAOYSA-N 1 2 319.343 2.849 20 30 DFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(C#N)ccc1F ZINC000155414585 398946252 /nfs/dbraw/zinc/94/62/52/398946252.db2.gz BOELOHYRBMTIFN-UHFFFAOYSA-N 1 2 319.343 2.849 20 30 DFEDLO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000595482526 398947844 /nfs/dbraw/zinc/94/78/44/398947844.db2.gz PHZMITOXBXTLJO-SKDRFNHKSA-N 1 2 310.195 2.635 20 30 DFEDLO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000595482525 398947762 /nfs/dbraw/zinc/94/77/62/398947762.db2.gz PHZMITOXBXTLJO-JOYOIKCWSA-N 1 2 310.195 2.635 20 30 DFEDLO Cn1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1C#N ZINC000191165528 200637627 /nfs/dbraw/zinc/63/76/27/200637627.db2.gz RNEKRJHHZFEFIJ-UHFFFAOYSA-N 1 2 300.309 2.662 20 30 DFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1[C@H](C#N)c1ccc(Cl)cc1 ZINC000595494431 398949751 /nfs/dbraw/zinc/94/97/51/398949751.db2.gz YMBHFHGWDGIGDL-KBRIMQKVSA-N 1 2 319.836 2.700 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613351706 398958839 /nfs/dbraw/zinc/95/88/39/398958839.db2.gz BNJXFAPCLWUNPN-SUMWQHHRSA-N 1 2 303.406 2.644 20 30 DFEDLO N#CC1(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000595567449 398976535 /nfs/dbraw/zinc/97/65/35/398976535.db2.gz OIFABCCEUNZDGW-CQSZACIVSA-N 1 2 315.421 2.534 20 30 DFEDLO C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1[nH+]ccn1C ZINC000595568859 398976754 /nfs/dbraw/zinc/97/67/54/398976754.db2.gz VXEGZPLIHKFMCO-UKRRQHHQSA-N 1 2 311.389 2.825 20 30 DFEDLO C[C@H]([C@H](C)Nc1nc(C(C)(C)C)ccc1C#N)[NH+]1CCOCC1 ZINC000613420765 398978185 /nfs/dbraw/zinc/97/81/85/398978185.db2.gz QOLQFYNQHXQZJU-UONOGXRCSA-N 1 2 316.449 2.772 20 30 DFEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(C(F)(F)F)c1 ZINC000600168464 398985099 /nfs/dbraw/zinc/98/50/99/398985099.db2.gz YFUNTUOAKHFNSG-CQSZACIVSA-N 1 2 314.307 2.564 20 30 DFEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(C(F)(F)F)c1 ZINC000600168464 398985102 /nfs/dbraw/zinc/98/51/02/398985102.db2.gz YFUNTUOAKHFNSG-CQSZACIVSA-N 1 2 314.307 2.564 20 30 DFEDLO C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1[nH+]ccn1C ZINC000595599749 398991729 /nfs/dbraw/zinc/99/17/29/398991729.db2.gz BOXVOUKOGOCTSW-JTQLQIEISA-N 1 2 317.780 2.506 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000599494193 398993709 /nfs/dbraw/zinc/99/37/09/398993709.db2.gz FWHZURJENAGDQF-QGZVFWFLSA-N 1 2 301.390 2.649 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000599494193 398993712 /nfs/dbraw/zinc/99/37/12/398993712.db2.gz FWHZURJENAGDQF-QGZVFWFLSA-N 1 2 301.390 2.649 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611716 398998800 /nfs/dbraw/zinc/99/88/00/398998800.db2.gz NJXCSGHIOHKKOC-AWEZNQCLSA-N 1 2 301.390 2.649 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611716 398998807 /nfs/dbraw/zinc/99/88/07/398998807.db2.gz NJXCSGHIOHKKOC-AWEZNQCLSA-N 1 2 301.390 2.649 20 30 DFEDLO COCCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000599507286 398999165 /nfs/dbraw/zinc/99/91/65/398999165.db2.gz ROAXTSNGEMDTNQ-UHFFFAOYSA-N 1 2 303.362 2.715 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612437 399000587 /nfs/dbraw/zinc/00/05/87/399000587.db2.gz WVHZDEMKKIDJCS-AWEZNQCLSA-N 1 2 301.390 2.568 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612437 399000590 /nfs/dbraw/zinc/00/05/90/399000590.db2.gz WVHZDEMKKIDJCS-AWEZNQCLSA-N 1 2 301.390 2.568 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595612422 399001012 /nfs/dbraw/zinc/00/10/12/399001012.db2.gz WNXVJQVCNKULCU-LBPRGKRZSA-N 1 2 317.345 2.587 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595612422 399001016 /nfs/dbraw/zinc/00/10/16/399001016.db2.gz WNXVJQVCNKULCU-LBPRGKRZSA-N 1 2 317.345 2.587 20 30 DFEDLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595615581 399002202 /nfs/dbraw/zinc/00/22/02/399002202.db2.gz KYILYHRWOCBJEU-ZDUSSCGKSA-N 1 2 303.431 2.973 20 30 DFEDLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595615581 399002204 /nfs/dbraw/zinc/00/22/04/399002204.db2.gz KYILYHRWOCBJEU-ZDUSSCGKSA-N 1 2 303.431 2.973 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621731 399005538 /nfs/dbraw/zinc/00/55/38/399005538.db2.gz YANPJJLEQRXWRU-AAEUAGOBSA-N 1 2 306.435 2.713 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621731 399005543 /nfs/dbraw/zinc/00/55/43/399005543.db2.gz YANPJJLEQRXWRU-AAEUAGOBSA-N 1 2 306.435 2.713 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1C ZINC000275378735 212299257 /nfs/dbraw/zinc/29/92/57/212299257.db2.gz ANHIPTALQRXEBN-KRWDZBQOSA-N 1 2 304.434 2.566 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)c1C ZINC000275378735 212299261 /nfs/dbraw/zinc/29/92/61/212299261.db2.gz ANHIPTALQRXEBN-KRWDZBQOSA-N 1 2 304.434 2.566 20 30 DFEDLO N#CCCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315624 399032859 /nfs/dbraw/zinc/03/28/59/399032859.db2.gz RVQUTONYKJUCAV-OAHLLOKOSA-N 1 2 300.337 2.838 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1c(F)cccc1F ZINC000595692231 399037514 /nfs/dbraw/zinc/03/75/14/399037514.db2.gz MSGXPJGLXAADKX-MJVIPROJSA-N 1 2 307.344 2.964 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(CCC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000621713751 399039284 /nfs/dbraw/zinc/03/92/84/399039284.db2.gz VMZIHNRMHZKCJM-CYBMUJFWSA-N 1 2 313.488 2.876 20 30 DFEDLO C=CC[N@H+](Cc1ccc(CCC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000621713751 399039288 /nfs/dbraw/zinc/03/92/88/399039288.db2.gz VMZIHNRMHZKCJM-CYBMUJFWSA-N 1 2 313.488 2.876 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595697319 399040671 /nfs/dbraw/zinc/04/06/71/399040671.db2.gz FOZFPMDRTLCUFW-HUBLWGQQSA-N 1 2 316.361 2.594 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000595704135 399046262 /nfs/dbraw/zinc/04/62/62/399046262.db2.gz QQLDEJOBROZTPT-NEPJUHHUSA-N 1 2 314.414 2.907 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000595704548 399046014 /nfs/dbraw/zinc/04/60/14/399046014.db2.gz SMJSLSGEOSGYED-ZENOOKHLSA-N 1 2 301.390 2.694 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000595702514 399046187 /nfs/dbraw/zinc/04/61/87/399046187.db2.gz KQPPKDWWSCUVDZ-GMXVVIOVSA-N 1 2 306.797 2.734 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679424 399058422 /nfs/dbraw/zinc/05/84/22/399058422.db2.gz RSIRIYRLJYNOBL-ZDUSSCGKSA-N 1 2 300.402 2.841 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679424 399058430 /nfs/dbraw/zinc/05/84/30/399058430.db2.gz RSIRIYRLJYNOBL-ZDUSSCGKSA-N 1 2 300.402 2.841 20 30 DFEDLO Cn1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C(F)F)n1 ZINC000599678189 399059117 /nfs/dbraw/zinc/05/91/17/399059117.db2.gz PJDRFWFWAUZVLP-UHFFFAOYSA-N 1 2 316.355 2.982 20 30 DFEDLO Cn1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C(F)F)n1 ZINC000599678189 399059122 /nfs/dbraw/zinc/05/91/22/399059122.db2.gz PJDRFWFWAUZVLP-UHFFFAOYSA-N 1 2 316.355 2.982 20 30 DFEDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679031 399059135 /nfs/dbraw/zinc/05/91/35/399059135.db2.gz OBHCMVQNVKODSL-KRWDZBQOSA-N 1 2 300.402 2.843 20 30 DFEDLO CCCC[C@@H](C(=O)OC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679031 399059139 /nfs/dbraw/zinc/05/91/39/399059139.db2.gz OBHCMVQNVKODSL-KRWDZBQOSA-N 1 2 300.402 2.843 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@@H]12 ZINC000595733077 399061827 /nfs/dbraw/zinc/06/18/27/399061827.db2.gz QMZSYTZYYLCRHH-MJBXVCDLSA-N 1 2 319.430 2.568 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@@H]12 ZINC000595733077 399061830 /nfs/dbraw/zinc/06/18/30/399061830.db2.gz QMZSYTZYYLCRHH-MJBXVCDLSA-N 1 2 319.430 2.568 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000606394731 399062767 /nfs/dbraw/zinc/06/27/67/399062767.db2.gz DXYKXOVDDYXDER-UHFFFAOYSA-N 1 2 322.474 2.547 20 30 DFEDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000057844290 399066522 /nfs/dbraw/zinc/06/65/22/399066522.db2.gz WECMHQMQEKYMPB-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000057844290 399066525 /nfs/dbraw/zinc/06/65/25/399066525.db2.gz WECMHQMQEKYMPB-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C#N)CC1 ZINC000057877387 399069389 /nfs/dbraw/zinc/06/93/89/399069389.db2.gz WIOIHHRNHYTZGM-CYBMUJFWSA-N 1 2 315.442 2.749 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CCF)C2)c(C#N)c1C ZINC000595755918 399071534 /nfs/dbraw/zinc/07/15/34/399071534.db2.gz RGLOXTCMFQMUHH-CYBMUJFWSA-N 1 2 307.369 2.778 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CCF)C2)c(C#N)c1C ZINC000595755918 399071542 /nfs/dbraw/zinc/07/15/42/399071542.db2.gz RGLOXTCMFQMUHH-CYBMUJFWSA-N 1 2 307.369 2.778 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)o1 ZINC000092094774 193155894 /nfs/dbraw/zinc/15/58/94/193155894.db2.gz PVEUQEPWCOVSRN-BDJLRTHQSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)o1 ZINC000092094774 193155895 /nfs/dbraw/zinc/15/58/95/193155895.db2.gz PVEUQEPWCOVSRN-BDJLRTHQSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305134188 284036143 /nfs/dbraw/zinc/03/61/43/284036143.db2.gz KPAMBEJQSTXPPA-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000305171062 284038713 /nfs/dbraw/zinc/03/87/13/284038713.db2.gz UIAHUWZHPNJRHW-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO CC[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H](C)C#N ZINC000595813541 399095780 /nfs/dbraw/zinc/09/57/80/399095780.db2.gz NYKPADZDZZMEEV-HNNXBMFYSA-N 1 2 312.421 2.744 20 30 DFEDLO CC[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H](C)C#N ZINC000595813541 399095786 /nfs/dbraw/zinc/09/57/86/399095786.db2.gz NYKPADZDZZMEEV-HNNXBMFYSA-N 1 2 312.421 2.744 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000058880565 399100387 /nfs/dbraw/zinc/10/03/87/399100387.db2.gz LHZJUPGDHAWWGW-UHFFFAOYSA-N 1 2 318.364 2.683 20 30 DFEDLO C=CCN(CC(F)(F)F)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000058880565 399100390 /nfs/dbraw/zinc/10/03/90/399100390.db2.gz LHZJUPGDHAWWGW-UHFFFAOYSA-N 1 2 318.364 2.683 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835305 399105343 /nfs/dbraw/zinc/10/53/43/399105343.db2.gz QHSNSQHSLANGLM-DOTOQJQBSA-N 1 2 301.390 2.648 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835305 399105350 /nfs/dbraw/zinc/10/53/50/399105350.db2.gz QHSNSQHSLANGLM-DOTOQJQBSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838419 399106253 /nfs/dbraw/zinc/10/62/53/399106253.db2.gz BROHSOJFQFIKKL-WBMJQRKESA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838419 399106259 /nfs/dbraw/zinc/10/62/59/399106259.db2.gz BROHSOJFQFIKKL-WBMJQRKESA-N 1 2 305.809 2.580 20 30 DFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836503 399106906 /nfs/dbraw/zinc/10/69/06/399106906.db2.gz ZBNLBZBQKSARSR-IBGZPJMESA-N 1 2 313.445 2.969 20 30 DFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836503 399106911 /nfs/dbraw/zinc/10/69/11/399106911.db2.gz ZBNLBZBQKSARSR-IBGZPJMESA-N 1 2 313.445 2.969 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841170 399108963 /nfs/dbraw/zinc/10/89/63/399108963.db2.gz RYVCTUSNMLPCNZ-PBHICJAKSA-N 1 2 317.458 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841170 399108967 /nfs/dbraw/zinc/10/89/67/399108967.db2.gz RYVCTUSNMLPCNZ-PBHICJAKSA-N 1 2 317.458 2.887 20 30 DFEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595845341 399110840 /nfs/dbraw/zinc/11/08/40/399110840.db2.gz ZVXBXCCDYROVCD-SFHVURJKSA-N 1 2 305.385 2.694 20 30 DFEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595845341 399110844 /nfs/dbraw/zinc/11/08/44/399110844.db2.gz ZVXBXCCDYROVCD-SFHVURJKSA-N 1 2 305.385 2.694 20 30 DFEDLO CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)C[C@H](C)C#N ZINC000060038269 399115260 /nfs/dbraw/zinc/11/52/60/399115260.db2.gz SRQSKDPNQDFGBY-MRXNPFEDSA-N 1 2 315.461 2.950 20 30 DFEDLO CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)C[C@H](C)C#N ZINC000060038269 399115266 /nfs/dbraw/zinc/11/52/66/399115266.db2.gz SRQSKDPNQDFGBY-MRXNPFEDSA-N 1 2 315.461 2.950 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191645 284156644 /nfs/dbraw/zinc/15/66/44/284156644.db2.gz KWFLOHVHPDGZFJ-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191645 284156645 /nfs/dbraw/zinc/15/66/45/284156645.db2.gz KWFLOHVHPDGZFJ-KBPBESRZSA-N 1 2 316.298 2.975 20 30 DFEDLO CC[N@H+](CCOc1ccccc1OC)Cc1ccncc1C#N ZINC000595888077 399124471 /nfs/dbraw/zinc/12/44/71/399124471.db2.gz QDJQCZAJKXYHLI-UHFFFAOYSA-N 1 2 311.385 2.863 20 30 DFEDLO CC[N@@H+](CCOc1ccccc1OC)Cc1ccncc1C#N ZINC000595888077 399124475 /nfs/dbraw/zinc/12/44/75/399124475.db2.gz QDJQCZAJKXYHLI-UHFFFAOYSA-N 1 2 311.385 2.863 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595892554 399125831 /nfs/dbraw/zinc/12/58/31/399125831.db2.gz SYNIRPOPQIDCGK-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595892554 399125834 /nfs/dbraw/zinc/12/58/34/399125834.db2.gz SYNIRPOPQIDCGK-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595913485 399133353 /nfs/dbraw/zinc/13/33/53/399133353.db2.gz DWEFRLUDPGJEBZ-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595913485 399133357 /nfs/dbraw/zinc/13/33/57/399133357.db2.gz DWEFRLUDPGJEBZ-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000614033360 399137562 /nfs/dbraw/zinc/13/75/62/399137562.db2.gz 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ZINC000184803404 399157740 /nfs/dbraw/zinc/15/77/40/399157740.db2.gz VZDCXWHVNYRFID-CQSZACIVSA-N 1 2 321.359 2.504 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168172 399167731 /nfs/dbraw/zinc/16/77/31/399167731.db2.gz WDFAIHWAONLUDV-ZMOMAAQPSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168172 399167734 /nfs/dbraw/zinc/16/77/34/399167734.db2.gz WDFAIHWAONLUDV-ZMOMAAQPSA-N 1 2 304.459 2.829 20 30 DFEDLO C#CCOc1ccccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000274838739 211973821 /nfs/dbraw/zinc/97/38/21/211973821.db2.gz JKELNLFPLGQFOZ-UHFFFAOYSA-N 1 2 324.384 2.553 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC2(CC2)C1 ZINC000600999124 399199022 /nfs/dbraw/zinc/19/90/22/399199022.db2.gz SJCQUYATGBYIRE-UHFFFAOYSA-N 1 2 324.428 2.772 20 30 DFEDLO N#CCC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000081044016 399207316 /nfs/dbraw/zinc/20/73/16/399207316.db2.gz IGFRQVPQUXODJR-UHFFFAOYSA-N 1 2 324.421 2.615 20 30 DFEDLO N#CCC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000081044016 399207319 /nfs/dbraw/zinc/20/73/19/399207319.db2.gz IGFRQVPQUXODJR-UHFFFAOYSA-N 1 2 324.421 2.615 20 30 DFEDLO CC[N@@H+](CC(=O)NCc1cccc(OC(C)C)c1)C[C@H](C)C#N ZINC000064249083 399217935 /nfs/dbraw/zinc/21/79/35/399217935.db2.gz FZJXAEPAWDUTKO-OAHLLOKOSA-N 1 2 317.433 2.572 20 30 DFEDLO CC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)C[C@H](C)C#N ZINC000064249083 399217938 /nfs/dbraw/zinc/21/79/38/399217938.db2.gz FZJXAEPAWDUTKO-OAHLLOKOSA-N 1 2 317.433 2.572 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000064455730 399223956 /nfs/dbraw/zinc/22/39/56/399223956.db2.gz BNMNHTVKJBWHNO-UHFFFAOYSA-N 1 2 320.352 2.864 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285150218 335021237 /nfs/dbraw/zinc/02/12/37/335021237.db2.gz UDCLDOPQXCJFLD-HUUCEWRRSA-N 1 2 320.437 2.542 20 30 DFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614403377 399226463 /nfs/dbraw/zinc/22/64/63/399226463.db2.gz 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206178659 /nfs/dbraw/zinc/17/86/59/206178659.db2.gz QHGYFKBDERIVEI-INIZCTEOSA-N 1 2 304.390 2.519 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285829275 335029787 /nfs/dbraw/zinc/02/97/87/335029787.db2.gz VXCZTEBCOZIUTB-VXGBXAGGSA-N 1 2 309.360 2.600 20 30 DFEDLO CC(C)(CNc1ncc(Br)cc1C#N)n1cc[nH+]c1 ZINC000601198186 399253314 /nfs/dbraw/zinc/25/33/14/399253314.db2.gz QAIKZOMFLOEZHG-UHFFFAOYSA-N 1 2 320.194 2.759 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220735 399257299 /nfs/dbraw/zinc/25/72/99/399257299.db2.gz ACIIWZZFPMXXGL-MFKMUULPSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220735 399257303 /nfs/dbraw/zinc/25/73/03/399257303.db2.gz ACIIWZZFPMXXGL-MFKMUULPSA-N 1 2 317.216 2.967 20 30 DFEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)cn1 ZINC000601240510 399262544 /nfs/dbraw/zinc/26/25/44/399262544.db2.gz JUJOPCRYZUWMAC-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000267872859 206312405 /nfs/dbraw/zinc/31/24/05/206312405.db2.gz MOERUPYWBHVPCZ-AWEZNQCLSA-N 1 2 320.458 2.750 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000267872859 206312406 /nfs/dbraw/zinc/31/24/06/206312406.db2.gz MOERUPYWBHVPCZ-AWEZNQCLSA-N 1 2 320.458 2.750 20 30 DFEDLO C[C@H](c1nc2c(s1)CCCC2)[NH+]1CCN(CCC#N)CC1 ZINC000601316389 399276412 /nfs/dbraw/zinc/27/64/12/399276412.db2.gz XSARGOFLSQBMJF-CYBMUJFWSA-N 1 2 304.463 2.614 20 30 DFEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000608884997 399299551 /nfs/dbraw/zinc/29/95/51/399299551.db2.gz AMHUNWOPMLYESL-CQSZACIVSA-N 1 2 322.840 2.765 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609098369 399303586 /nfs/dbraw/zinc/30/35/86/399303586.db2.gz AOICUARAIOMEEU-INIZCTEOSA-N 1 2 322.368 2.569 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c(F)c1 ZINC000609234774 399309935 /nfs/dbraw/zinc/30/99/35/399309935.db2.gz NECNLUMJAQPUQF-GOSISDBHSA-N 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CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026262 399339955 /nfs/dbraw/zinc/33/99/55/399339955.db2.gz IGLNWOJBGSNHCS-UHFFFAOYSA-N 1 2 305.341 2.870 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)cc1 ZINC000610065607 399340912 /nfs/dbraw/zinc/34/09/12/399340912.db2.gz FHOCHNNZRZADEL-UHFFFAOYSA-N 1 2 318.380 2.900 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CCCC1 ZINC000610066312 399341127 /nfs/dbraw/zinc/34/11/27/399341127.db2.gz WLZNBVKMDFCGGQ-UHFFFAOYSA-N 1 2 310.401 2.799 20 30 DFEDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000601819520 399343017 /nfs/dbraw/zinc/34/30/17/399343017.db2.gz JDELNSZKTQKUJS-IAGOWNOFSA-N 1 2 308.385 2.696 20 30 DFEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000104691007 194028151 /nfs/dbraw/zinc/02/81/51/194028151.db2.gz YPVXLJHMCDDPQU-AWEZNQCLSA-N 1 2 305.381 2.546 20 30 DFEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000104691007 194028154 /nfs/dbraw/zinc/02/81/54/194028154.db2.gz 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/nfs/dbraw/zinc/36/32/68/399363268.db2.gz XCKUTYGRKJEDAO-UHFFFAOYSA-N 1 2 320.418 2.593 20 30 DFEDLO COCC[N@H+](CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000610392329 399363272 /nfs/dbraw/zinc/36/32/72/399363272.db2.gz XCKUTYGRKJEDAO-UHFFFAOYSA-N 1 2 320.418 2.593 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000610448012 399368341 /nfs/dbraw/zinc/36/83/41/399368341.db2.gz IMWOVYGKMVELAB-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000610448012 399368342 /nfs/dbraw/zinc/36/83/42/399368342.db2.gz IMWOVYGKMVELAB-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000610448012 399368344 /nfs/dbraw/zinc/36/83/44/399368344.db2.gz IMWOVYGKMVELAB-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000610448012 399368346 /nfs/dbraw/zinc/36/83/46/399368346.db2.gz IMWOVYGKMVELAB-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2c1cccc2O ZINC000610489052 399372038 /nfs/dbraw/zinc/37/20/38/399372038.db2.gz SUEYVJAHFBZBJQ-AWEZNQCLSA-N 1 2 320.356 2.545 20 30 DFEDLO N#CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000610488303 399372188 /nfs/dbraw/zinc/37/21/88/399372188.db2.gz KTYTXCLZSKVMTR-UHFFFAOYSA-N 1 2 310.357 2.948 20 30 DFEDLO N#CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000610488303 399372192 /nfs/dbraw/zinc/37/21/92/399372192.db2.gz KTYTXCLZSKVMTR-UHFFFAOYSA-N 1 2 310.357 2.948 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(O)c(=O)c1 ZINC000601980531 399373404 /nfs/dbraw/zinc/37/34/04/399373404.db2.gz MRJHBEYPDGKZBL-HOCLYGCPSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(O)c(=O)c1 ZINC000601980531 399373407 /nfs/dbraw/zinc/37/34/07/399373407.db2.gz MRJHBEYPDGKZBL-HOCLYGCPSA-N 1 2 300.402 3.000 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610511733 399375459 /nfs/dbraw/zinc/37/54/59/399375459.db2.gz QTBZRJGXJBWCAU-NSHDSACASA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610511733 399375462 /nfs/dbraw/zinc/37/54/62/399375462.db2.gz QTBZRJGXJBWCAU-NSHDSACASA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610511732 399375470 /nfs/dbraw/zinc/37/54/70/399375470.db2.gz QTBZRJGXJBWCAU-LLVKDONJSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610511732 399375473 /nfs/dbraw/zinc/37/54/73/399375473.db2.gz QTBZRJGXJBWCAU-LLVKDONJSA-N 1 2 317.216 2.969 20 30 DFEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N1CCCC[C@@H]1C ZINC000602003320 399380633 /nfs/dbraw/zinc/38/06/33/399380633.db2.gz UDPILVAKCIVJRY-QWHCGFSZSA-N 1 2 303.381 2.576 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000619716991 399381666 /nfs/dbraw/zinc/38/16/66/399381666.db2.gz KIWKUMCVWHDLAQ-KRWDZBQOSA-N 1 2 303.402 2.677 20 30 DFEDLO N#CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000610582764 399382918 /nfs/dbraw/zinc/38/29/18/399382918.db2.gz XPWVBDIWJXRWBP-UHFFFAOYSA-N 1 2 300.318 2.862 20 30 DFEDLO N#CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000610582764 399382921 /nfs/dbraw/zinc/38/29/21/399382921.db2.gz XPWVBDIWJXRWBP-UHFFFAOYSA-N 1 2 300.318 2.862 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(Br)cc1C ZINC000619722601 399383330 /nfs/dbraw/zinc/38/33/30/399383330.db2.gz XPDGYPHHUJWPCK-CYBMUJFWSA-N 1 2 312.207 2.917 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000619722601 399383334 /nfs/dbraw/zinc/38/33/34/399383334.db2.gz XPDGYPHHUJWPCK-CYBMUJFWSA-N 1 2 312.207 2.917 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000619721451 399383741 /nfs/dbraw/zinc/38/37/41/399383741.db2.gz XIPQMUNDQXTWKW-MRXNPFEDSA-N 1 2 309.356 2.947 20 30 DFEDLO C=C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC ZINC000619734420 399384787 /nfs/dbraw/zinc/38/47/87/399384787.db2.gz ICPQUBUIRWUKDW-HNNXBMFYSA-N 1 2 309.369 2.741 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C#N)c(F)c1 ZINC000271910493 209316404 /nfs/dbraw/zinc/31/64/04/209316404.db2.gz DHRVMBCVBHQTLT-LBPRGKRZSA-N 1 2 313.380 2.866 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285316556 218378938 /nfs/dbraw/zinc/37/89/38/218378938.db2.gz MMMUIVKLZFJJFG-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285316556 218378939 /nfs/dbraw/zinc/37/89/39/218378939.db2.gz MMMUIVKLZFJJFG-UHFFFAOYSA-N 1 2 321.380 2.557 20 30 DFEDLO CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C#N)c1 ZINC000602081014 399392431 /nfs/dbraw/zinc/39/24/31/399392431.db2.gz WZONRUJFUHJJFQ-CYBMUJFWSA-N 1 2 322.290 2.911 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602085398 399392803 /nfs/dbraw/zinc/39/28/03/399392803.db2.gz LUPARRDVLMPEQZ-UHFFFAOYSA-N 1 2 308.385 2.601 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000273533051 210847381 /nfs/dbraw/zinc/84/73/81/210847381.db2.gz TWOFTFROXKLUBO-OAHLLOKOSA-N 1 2 308.422 2.544 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602109525 399396087 /nfs/dbraw/zinc/39/60/87/399396087.db2.gz JXIOEMMTCRPDOC-UHFFFAOYSA-N 1 2 311.389 2.847 20 30 DFEDLO CC(C)C[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)n1cc[nH+]c1 ZINC000602176782 399405858 /nfs/dbraw/zinc/40/58/58/399405858.db2.gz LNPDEGWYBLVOCK-KRWDZBQOSA-N 1 2 308.385 2.884 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177501 399405934 /nfs/dbraw/zinc/40/59/34/399405934.db2.gz AMJAAEISVVDQJA-TUAOUCFPSA-N 1 2 314.311 2.575 20 30 DFEDLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602197678 399408984 /nfs/dbraw/zinc/40/89/84/399408984.db2.gz WULQIIUQKFSRTF-SRVKXCTJSA-N 1 2 314.311 2.527 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610905598 399417109 /nfs/dbraw/zinc/41/71/09/399417109.db2.gz NCFRWGXSOUBKLB-HNNXBMFYSA-N 1 2 309.373 2.932 20 30 DFEDLO N#CCCC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000602317354 399423624 /nfs/dbraw/zinc/42/36/24/399423624.db2.gz GKLLNRMPSBPMSU-RDJZCZTQSA-N 1 2 323.400 2.542 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000602425746 399440853 /nfs/dbraw/zinc/44/08/53/399440853.db2.gz UYLFTBJACQHRIO-SFHVURJKSA-N 1 2 324.403 2.790 20 30 DFEDLO Cc1cccc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)c1C ZINC000602430130 399441501 /nfs/dbraw/zinc/44/15/01/399441501.db2.gz VWVPICLEJPIWOC-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO CO[C@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000602427735 399441753 /nfs/dbraw/zinc/44/17/53/399441753.db2.gz JONIRPREFLTTFF-RBUKOAKNSA-N 1 2 313.445 2.511 20 30 DFEDLO CO[C@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000602427735 399441755 /nfs/dbraw/zinc/44/17/55/399441755.db2.gz JONIRPREFLTTFF-RBUKOAKNSA-N 1 2 313.445 2.511 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611260475 399453599 /nfs/dbraw/zinc/45/35/99/399453599.db2.gz YVBCIEXAFBBMMQ-UHFFFAOYSA-N 1 2 312.373 2.647 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616302727 399447357 /nfs/dbraw/zinc/44/73/57/399447357.db2.gz JHBLBZMBMOGOCC-BRWVUGGUSA-N 1 2 309.413 2.827 20 30 DFEDLO N#Cc1cc2c(nc1N1CCC[C@@H](n3cc[nH+]c3)C1)CCCC2 ZINC000611227455 399448049 /nfs/dbraw/zinc/44/80/49/399448049.db2.gz XKXYFNNBJBHFQE-MRXNPFEDSA-N 1 2 307.401 2.870 20 30 DFEDLO COCC[N@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602464915 399451484 /nfs/dbraw/zinc/45/14/84/399451484.db2.gz HSFJJEVAIWORKQ-OAHLLOKOSA-N 1 2 304.390 2.553 20 30 DFEDLO COCC[N@@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602464915 399451486 /nfs/dbraw/zinc/45/14/86/399451486.db2.gz HSFJJEVAIWORKQ-OAHLLOKOSA-N 1 2 304.390 2.553 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)n1 ZINC000602470439 399452842 /nfs/dbraw/zinc/45/28/42/399452842.db2.gz YTEWAHCGUIJKEF-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000623687917 399444680 /nfs/dbraw/zinc/44/46/80/399444680.db2.gz SRTAHVZOIWWHED-HNNXBMFYSA-N 1 2 312.417 2.793 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CCO2)ccc1F ZINC000611211361 399445721 /nfs/dbraw/zinc/44/57/21/399445721.db2.gz RCMYVIJUAPNQTF-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CCO2)ccc1F ZINC000611211361 399445723 /nfs/dbraw/zinc/44/57/23/399445723.db2.gz RCMYVIJUAPNQTF-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cccc(C#N)c1 ZINC000063388225 184281274 /nfs/dbraw/zinc/28/12/74/184281274.db2.gz AARJIMKGDGVRQG-UHFFFAOYSA-N 1 2 323.400 2.525 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cccc(C#N)c1 ZINC000063388225 184281275 /nfs/dbraw/zinc/28/12/75/184281275.db2.gz AARJIMKGDGVRQG-UHFFFAOYSA-N 1 2 323.400 2.525 20 30 DFEDLO C[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1cccc(C#N)c1 ZINC000611388555 399469055 /nfs/dbraw/zinc/46/90/55/399469055.db2.gz PQIRZVMMHFCEIY-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000611516978 399486465 /nfs/dbraw/zinc/48/64/65/399486465.db2.gz PNNUZXVLERHAHJ-COXVUDFISA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000611516978 399486468 /nfs/dbraw/zinc/48/64/68/399486468.db2.gz PNNUZXVLERHAHJ-COXVUDFISA-N 1 2 315.392 2.734 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000611552402 399490490 /nfs/dbraw/zinc/49/04/90/399490490.db2.gz YDTPOHBRMRKWHO-AWEZNQCLSA-N 1 2 315.314 2.960 20 30 DFEDLO N#CC1CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000602619116 399492754 /nfs/dbraw/zinc/49/27/54/399492754.db2.gz MCPSLFNECLFVPD-UHFFFAOYSA-N 1 2 311.389 2.556 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1cccc(C#N)n1)CCCC2 ZINC000602623890 399493855 /nfs/dbraw/zinc/49/38/55/399493855.db2.gz JIURFTLDCDSFSV-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000616755191 399511436 /nfs/dbraw/zinc/51/14/36/399511436.db2.gz PHFNJMAAXWDWMP-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000616755191 399511439 /nfs/dbraw/zinc/51/14/39/399511439.db2.gz PHFNJMAAXWDWMP-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1cccc(C#N)n1 ZINC000602700622 399528252 /nfs/dbraw/zinc/52/82/52/399528252.db2.gz UQWKGTXWACHMGX-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1cccc(C#N)n1 ZINC000602700622 399528255 /nfs/dbraw/zinc/52/82/55/399528255.db2.gz UQWKGTXWACHMGX-IUODEOHRSA-N 1 2 301.390 2.648 20 30 DFEDLO C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270138533 208199200 /nfs/dbraw/zinc/19/92/00/208199200.db2.gz QNBNNCHRIOFQSF-CQSZACIVSA-N 1 2 322.412 2.704 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000602708158 399531420 /nfs/dbraw/zinc/53/14/20/399531420.db2.gz LZAMFMMEHQWLKX-OCCSQVGLSA-N 1 2 318.421 2.547 20 30 DFEDLO C[C@H](CCC#N)C[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000602712546 399534237 /nfs/dbraw/zinc/53/42/37/399534237.db2.gz UTABMTLJCOZBOD-GDBMZVCRSA-N 1 2 317.433 2.864 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC ZINC000602732717 399545193 /nfs/dbraw/zinc/54/51/93/399545193.db2.gz CWZMMRIXPPENDS-DZGCQCFKSA-N 1 2 321.417 2.732 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCc2c(cccc2OC)C1)C(=O)OC ZINC000602732371 399545313 /nfs/dbraw/zinc/54/53/13/399545313.db2.gz AZNXISXPEJSFOL-ZBFHGGJFSA-N 1 2 303.402 2.650 20 30 DFEDLO C#CCSCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159038360 197320824 /nfs/dbraw/zinc/32/08/24/197320824.db2.gz PNQIUIDHHGDGQK-UHFFFAOYSA-N 1 2 314.414 2.575 20 30 DFEDLO C=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000287937063 335050284 /nfs/dbraw/zinc/05/02/84/335050284.db2.gz FLPFEOCEGVGBNN-UHFFFAOYSA-N 1 2 322.412 2.627 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602779041 399568503 /nfs/dbraw/zinc/56/85/03/399568503.db2.gz OCRLPSFCSVREEI-CYBMUJFWSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602779041 399568508 /nfs/dbraw/zinc/56/85/08/399568508.db2.gz OCRLPSFCSVREEI-CYBMUJFWSA-N 1 2 317.216 2.969 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000157764729 197213750 /nfs/dbraw/zinc/21/37/50/197213750.db2.gz VIPSISCGXUCVSB-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO COc1ccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)c([N+](=O)[O-])c1 ZINC000612163249 399595436 /nfs/dbraw/zinc/59/54/36/399595436.db2.gz UTRHVTUFRXHYNS-INIZCTEOSA-N 1 2 319.361 2.608 20 30 DFEDLO COc1ccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)c([N+](=O)[O-])c1 ZINC000612163249 399595441 /nfs/dbraw/zinc/59/54/41/399595441.db2.gz UTRHVTUFRXHYNS-INIZCTEOSA-N 1 2 319.361 2.608 20 30 DFEDLO C=CCN(CC=C)C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000156708693 197135123 /nfs/dbraw/zinc/13/51/23/197135123.db2.gz XEPSTFRDXLXUQK-UHFFFAOYSA-N 1 2 324.306 2.651 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000612166187 399597301 /nfs/dbraw/zinc/59/73/01/399597301.db2.gz BVFTUOYGCRFUBN-CJNGLKHVSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000612166187 399597304 /nfs/dbraw/zinc/59/73/04/399597304.db2.gz BVFTUOYGCRFUBN-CJNGLKHVSA-N 1 2 308.809 2.705 20 30 DFEDLO CCC(CC)n1ccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602856347 399604442 /nfs/dbraw/zinc/60/44/42/399604442.db2.gz ZHYGSOHGFMUNGK-GJZGRUSLSA-N 1 2 303.454 2.662 20 30 DFEDLO CCC(CC)n1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)n1 ZINC000602856348 399604552 /nfs/dbraw/zinc/60/45/52/399604552.db2.gz ZHYGSOHGFMUNGK-HUUCEWRRSA-N 1 2 303.454 2.662 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H](C)N1CC#N ZINC000602858235 399604996 /nfs/dbraw/zinc/60/49/96/399604996.db2.gz QKWXUDXETOPNAL-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@H](C)N1CC#N ZINC000602858235 399604999 /nfs/dbraw/zinc/60/49/99/399604999.db2.gz QKWXUDXETOPNAL-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1OC1CCCC1 ZINC000602860146 399606742 /nfs/dbraw/zinc/60/67/42/399606742.db2.gz BNGBQTHOLMQQLY-CQSZACIVSA-N 1 2 315.417 2.516 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000602861198 399606827 /nfs/dbraw/zinc/60/68/27/399606827.db2.gz FIMIZJAPTQXHNM-SUMWQHHRSA-N 1 2 313.426 2.845 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000602864101 399607683 /nfs/dbraw/zinc/60/76/83/399607683.db2.gz QRGINEIWMJUHKS-CQSZACIVSA-N 1 2 317.408 2.645 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccccc1Br ZINC000602863273 399607818 /nfs/dbraw/zinc/60/78/18/399607818.db2.gz MDLVYCNCSIQVCJ-VHSXEESVSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602862168 399607862 /nfs/dbraw/zinc/60/78/62/399607862.db2.gz MRSLNWPKABFKQI-MELADBBJSA-N 1 2 304.438 2.951 20 30 DFEDLO CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)CC#N)sc2c1 ZINC000602869242 399609972 /nfs/dbraw/zinc/60/99/72/399609972.db2.gz MZTNNVUVVRDPNE-JTQLQIEISA-N 1 2 318.402 2.525 20 30 DFEDLO C=CCCCC[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662932 399608509 /nfs/dbraw/zinc/60/85/09/399608509.db2.gz PGTFUSJJMZDXFO-KRWDZBQOSA-N 1 2 323.458 2.820 20 30 DFEDLO C=CCCCC[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662932 399608515 /nfs/dbraw/zinc/60/85/15/399608515.db2.gz PGTFUSJJMZDXFO-KRWDZBQOSA-N 1 2 323.458 2.820 20 30 DFEDLO Cc1occc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000055052479 542453213 /nfs/dbraw/zinc/45/32/13/542453213.db2.gz NSKJFIGVDZTKJC-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO Cc1occc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000055052479 542453214 /nfs/dbraw/zinc/45/32/14/542453214.db2.gz NSKJFIGVDZTKJC-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO Cc1occc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000055052746 542453416 /nfs/dbraw/zinc/45/34/16/542453416.db2.gz GNRIDMVTAFZTCI-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO Cc1occc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000055052746 542453417 /nfs/dbraw/zinc/45/34/17/542453417.db2.gz GNRIDMVTAFZTCI-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893723 399618321 /nfs/dbraw/zinc/61/83/21/399618321.db2.gz FDZIZLMJHYBNJG-UHFFFAOYSA-N 1 2 315.417 2.776 20 30 DFEDLO CCn1ccnc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896527 399618906 /nfs/dbraw/zinc/61/89/06/399618906.db2.gz SZEKAQLMXZHEQL-UHFFFAOYSA-N 1 2 309.417 2.851 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602902420 399621278 /nfs/dbraw/zinc/62/12/78/399621278.db2.gz XROJTGOOZOVIRU-UHFFFAOYSA-N 1 2 323.425 2.963 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nn1 ZINC000602906554 399621524 /nfs/dbraw/zinc/62/15/24/399621524.db2.gz KPDFZHSZNNRMNS-UHFFFAOYSA-N 1 2 322.416 2.500 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602925123 399629061 /nfs/dbraw/zinc/62/90/61/399629061.db2.gz ICLSWXFQCYQDPW-BBRMVZONSA-N 1 2 303.406 2.671 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602925123 399629063 /nfs/dbraw/zinc/62/90/63/399629063.db2.gz ICLSWXFQCYQDPW-BBRMVZONSA-N 1 2 303.406 2.671 20 30 DFEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000612347464 399629915 /nfs/dbraw/zinc/62/99/15/399629915.db2.gz YQQUNNBRIPENJN-UHFFFAOYSA-N 1 2 306.369 2.955 20 30 DFEDLO C[C@@H]1COCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617214849 399630874 /nfs/dbraw/zinc/63/08/74/399630874.db2.gz ARVRXQPCIHGZPF-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H]1COCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617214849 399630878 /nfs/dbraw/zinc/63/08/78/399630878.db2.gz ARVRXQPCIHGZPF-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[N@H+](Cc1cn[nH]c1)Cc1cc(C#N)ccc1Br ZINC000617214892 399631091 /nfs/dbraw/zinc/63/10/91/399631091.db2.gz PSESLVOQBXOQAW-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(C#N)ccc1Br ZINC000617214892 399631093 /nfs/dbraw/zinc/63/10/93/399631093.db2.gz PSESLVOQBXOQAW-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H](CO)C1 ZINC000602931760 399631144 /nfs/dbraw/zinc/63/11/44/399631144.db2.gz QNCHZLLVUVDSLT-ABAIWWIYSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H](CO)C1 ZINC000602931760 399631146 /nfs/dbraw/zinc/63/11/46/399631146.db2.gz QNCHZLLVUVDSLT-ABAIWWIYSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000612365809 399633584 /nfs/dbraw/zinc/63/35/84/399633584.db2.gz ZJENGWSOBATMCA-GOSISDBHSA-N 1 2 308.385 2.697 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289818934 221247747 /nfs/dbraw/zinc/24/77/47/221247747.db2.gz NZAIIDIXXKXQPK-VXGBXAGGSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289818934 221247750 /nfs/dbraw/zinc/24/77/50/221247750.db2.gz NZAIIDIXXKXQPK-VXGBXAGGSA-N 1 2 307.344 2.862 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825305 542517574 /nfs/dbraw/zinc/51/75/74/542517574.db2.gz NWVBSYXKYCCIKK-CYBMUJFWSA-N 1 2 318.446 2.506 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825305 542517579 /nfs/dbraw/zinc/51/75/79/542517579.db2.gz NWVBSYXKYCCIKK-CYBMUJFWSA-N 1 2 318.446 2.506 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000603072252 399671717 /nfs/dbraw/zinc/67/17/17/399671717.db2.gz HUTHEAIYQBDKGR-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000603072252 399671720 /nfs/dbraw/zinc/67/17/20/399671720.db2.gz HUTHEAIYQBDKGR-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1C1CC1 ZINC000602972283 399644209 /nfs/dbraw/zinc/64/42/09/399644209.db2.gz ITCSWYKSMKHPGB-GJZGRUSLSA-N 1 2 321.218 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@H]1C1CC1 ZINC000602972283 399644214 /nfs/dbraw/zinc/64/42/14/399644214.db2.gz ITCSWYKSMKHPGB-GJZGRUSLSA-N 1 2 321.218 2.666 20 30 DFEDLO C[N@H+]([C@@H]1CCC[C@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980131 399648534 /nfs/dbraw/zinc/64/85/34/399648534.db2.gz MIHIBTVNPPXKDY-CGTJXYLNSA-N 1 2 322.412 2.678 20 30 DFEDLO C[N@@H+]([C@@H]1CCC[C@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980131 399648536 /nfs/dbraw/zinc/64/85/36/399648536.db2.gz MIHIBTVNPPXKDY-CGTJXYLNSA-N 1 2 322.412 2.678 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000289658960 335062171 /nfs/dbraw/zinc/06/21/71/335062171.db2.gz NBPXYWDECBLFTR-HNNXBMFYSA-N 1 2 309.356 2.945 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000289658960 335062173 /nfs/dbraw/zinc/06/21/73/335062173.db2.gz NBPXYWDECBLFTR-HNNXBMFYSA-N 1 2 309.356 2.945 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(Cc3cnc(C)s3)CC2)cc1 ZINC000289393065 335062866 /nfs/dbraw/zinc/06/28/66/335062866.db2.gz RDNFGWCZVDMFTJ-UHFFFAOYSA-N 1 2 311.454 2.751 20 30 DFEDLO C#Cc1ccc(CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000289393065 335062868 /nfs/dbraw/zinc/06/28/68/335062868.db2.gz RDNFGWCZVDMFTJ-UHFFFAOYSA-N 1 2 311.454 2.751 20 30 DFEDLO COCc1cc(C#N)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000603323102 399743927 /nfs/dbraw/zinc/74/39/27/399743927.db2.gz ZEAUTLRWZUUQRQ-INIZCTEOSA-N 1 2 308.385 2.790 20 30 DFEDLO N#Cc1cccnc1OC1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000603363353 399754625 /nfs/dbraw/zinc/75/46/25/399754625.db2.gz ZNTKBYRZDYCSEK-UHFFFAOYSA-N 1 2 324.384 2.643 20 30 DFEDLO C=CCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000617614142 399755567 /nfs/dbraw/zinc/75/55/67/399755567.db2.gz OSLGMZHVKHWOHN-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=CCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000617614142 399755570 /nfs/dbraw/zinc/75/55/70/399755570.db2.gz OSLGMZHVKHWOHN-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132683 399768014 /nfs/dbraw/zinc/76/80/14/399768014.db2.gz TXSKMTHMMKCEJM-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132683 399768015 /nfs/dbraw/zinc/76/80/15/399768015.db2.gz TXSKMTHMMKCEJM-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000626158687 399780863 /nfs/dbraw/zinc/78/08/63/399780863.db2.gz YMDGZWBSISNLPP-MRXNPFEDSA-N 1 2 304.821 2.682 20 30 DFEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000626158687 399780868 /nfs/dbraw/zinc/78/08/68/399780868.db2.gz YMDGZWBSISNLPP-MRXNPFEDSA-N 1 2 304.821 2.682 20 30 DFEDLO C=CCN1CC[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1=O ZINC000626178684 399786419 /nfs/dbraw/zinc/78/64/19/399786419.db2.gz DRKBLYILBJVVBM-AWEZNQCLSA-N 1 2 306.356 2.721 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000613146168 399804801 /nfs/dbraw/zinc/80/48/01/399804801.db2.gz GFLKJRQVKBADQL-BZUAXINKSA-N 1 2 323.400 2.501 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492780950 299652625 /nfs/dbraw/zinc/65/26/25/299652625.db2.gz HJBQLIGKLROGTQ-FPLPWBNLSA-N 1 2 309.373 2.858 20 30 DFEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000329216438 543101213 /nfs/dbraw/zinc/10/12/13/543101213.db2.gz OLYXZSBSORMLKC-CYBMUJFWSA-N 1 2 320.418 2.895 20 30 DFEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000329216438 543101215 /nfs/dbraw/zinc/10/12/15/543101215.db2.gz OLYXZSBSORMLKC-CYBMUJFWSA-N 1 2 320.418 2.895 20 30 DFEDLO O=C(CC1CC1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329514255 543105187 /nfs/dbraw/zinc/10/51/87/543105187.db2.gz OBMFKPXTERWJCB-UHFFFAOYSA-N 1 2 300.362 2.788 20 30 DFEDLO C[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCOC1 ZINC000329530816 543105422 /nfs/dbraw/zinc/10/54/22/543105422.db2.gz VXMCAEVRXBFYSV-SFHVURJKSA-N 1 2 318.417 2.924 20 30 DFEDLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)sc1SCC#N ZINC000604528265 399852483 /nfs/dbraw/zinc/85/24/83/399852483.db2.gz LHKOXSYUHYNOKK-UHFFFAOYSA-N 1 2 321.431 2.683 20 30 DFEDLO N#Cc1c(NC(=O)CCCn2cc[nH+]c2)sc2c1CCC2 ZINC000604528064 399852499 /nfs/dbraw/zinc/85/24/99/399852499.db2.gz KFEZTWITQOITEJ-UHFFFAOYSA-N 1 2 300.387 2.724 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2cc(F)ccc21 ZINC000604558446 399856200 /nfs/dbraw/zinc/85/62/00/399856200.db2.gz FAKQMLOQUYXQNN-HNNXBMFYSA-N 1 2 322.347 2.978 20 30 DFEDLO Cc1ccccc1OCCNc1[nH+]cnc2c1cnn2CCC#N ZINC000604558791 399856469 /nfs/dbraw/zinc/85/64/69/399856469.db2.gz QRZUMVPOLVNZGN-UHFFFAOYSA-N 1 2 322.372 2.539 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H]1C1CCCC1 ZINC000604558456 399856503 /nfs/dbraw/zinc/85/65/03/399856503.db2.gz FDEJJDYYUXVIDR-OAHLLOKOSA-N 1 2 310.405 2.899 20 30 DFEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000630914982 399946725 /nfs/dbraw/zinc/94/67/25/399946725.db2.gz NWLNHLPHSOWMLF-UHFFFAOYSA-N 1 2 314.429 2.696 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000628486888 400036359 /nfs/dbraw/zinc/03/63/59/400036359.db2.gz SHRFDWPBXXBGAJ-MRXNPFEDSA-N 1 2 314.429 2.557 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000628491835 400036761 /nfs/dbraw/zinc/03/67/61/400036761.db2.gz IRZKSPRYRZUKPQ-NWDGAFQWSA-N 1 2 315.339 2.881 20 30 DFEDLO C=CCOCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628772294 400055961 /nfs/dbraw/zinc/05/59/61/400055961.db2.gz HDNAQCJGQMNSID-MRXNPFEDSA-N 1 2 317.364 2.737 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491676003 543407645 /nfs/dbraw/zinc/40/76/45/543407645.db2.gz NHKFNNAROWIITM-LBPRGKRZSA-N 1 2 315.442 2.781 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000491676003 543407647 /nfs/dbraw/zinc/40/76/47/543407647.db2.gz NHKFNNAROWIITM-LBPRGKRZSA-N 1 2 315.442 2.781 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)c(F)c1 ZINC000355225098 147230920 /nfs/dbraw/zinc/23/09/20/147230920.db2.gz RJKKPJRJOMZZLE-UHFFFAOYSA-N 1 2 307.332 2.568 20 30 DFEDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000355549367 147359447 /nfs/dbraw/zinc/35/94/47/147359447.db2.gz VTHVFQYQORMYRK-GFCCVEGCSA-N 1 2 313.361 2.783 20 30 DFEDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000355549367 147359450 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N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000371334577 150025854 /nfs/dbraw/zinc/02/58/54/150025854.db2.gz GYUVMJHMEYJLTO-UHFFFAOYSA-N 1 2 324.409 2.743 20 30 DFEDLO CC(C)n1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000371462374 150050329 /nfs/dbraw/zinc/05/03/29/150050329.db2.gz CKLCZWJAZQESTD-SFHVURJKSA-N 1 2 310.401 2.909 20 30 DFEDLO CC(C)n1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000371462374 150050332 /nfs/dbraw/zinc/05/03/32/150050332.db2.gz CKLCZWJAZQESTD-SFHVURJKSA-N 1 2 310.401 2.909 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373975444 150286305 /nfs/dbraw/zinc/28/63/05/150286305.db2.gz VFWFFGMHMJHALZ-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373975444 150286310 /nfs/dbraw/zinc/28/63/10/150286310.db2.gz VFWFFGMHMJHALZ-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000374230890 150325761 /nfs/dbraw/zinc/32/57/61/150325761.db2.gz PDHDBDWYBHWMHI-OAHLLOKOSA-N 1 2 308.385 2.620 20 30 DFEDLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1C#N ZINC000374241838 150328826 /nfs/dbraw/zinc/32/88/26/150328826.db2.gz QECRSTBEBIYLCA-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1C#N ZINC000374241838 150328827 /nfs/dbraw/zinc/32/88/27/150328827.db2.gz QECRSTBEBIYLCA-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO N#Cc1ccsc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374329906 150345298 /nfs/dbraw/zinc/34/52/98/150345298.db2.gz WBOXPDMYCXBXLC-AWEZNQCLSA-N 1 2 315.373 2.546 20 30 DFEDLO CO[C@@H]1Cc2ccccc2N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000374379868 150355531 /nfs/dbraw/zinc/35/55/31/150355531.db2.gz YNWBFIIUNULXNO-QGZVFWFLSA-N 1 2 318.380 2.784 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccnc1 ZINC000182889379 158009361 /nfs/dbraw/zinc/00/93/61/158009361.db2.gz RAJCCKGDTRSMDY-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccnc1 ZINC000182889406 158009436 /nfs/dbraw/zinc/00/94/36/158009436.db2.gz RAJCCKGDTRSMDY-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000357019899 158349211 /nfs/dbraw/zinc/34/92/11/158349211.db2.gz DJQZGJMOZQVJAM-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1C#N)CC2 ZINC000357019899 158349214 /nfs/dbraw/zinc/34/92/14/158349214.db2.gz DJQZGJMOZQVJAM-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)s1 ZINC000129486524 196052167 /nfs/dbraw/zinc/05/21/67/196052167.db2.gz KTMCXJLBYROCFP-UHFFFAOYSA-N 1 2 303.353 2.690 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)s1 ZINC000129486524 196052169 /nfs/dbraw/zinc/05/21/69/196052169.db2.gz KTMCXJLBYROCFP-UHFFFAOYSA-N 1 2 303.353 2.690 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667956973 543710731 /nfs/dbraw/zinc/71/07/31/543710731.db2.gz VCYFKJLCQBFNBW-DZGCQCFKSA-N 1 2 314.389 2.745 20 30 DFEDLO C=CCN(C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H](C)COC ZINC000668168092 543756758 /nfs/dbraw/zinc/75/67/58/543756758.db2.gz NDGJZRCRDRRVEP-CYBMUJFWSA-N 1 2 302.378 2.698 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000290595814 335076267 /nfs/dbraw/zinc/07/62/67/335076267.db2.gz UUXBGDPFJJNVIW-QAPCUYQASA-N 1 2 307.397 2.517 20 30 DFEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000434202686 296930252 /nfs/dbraw/zinc/93/02/52/296930252.db2.gz IMZYLVJPWOKCQW-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO C=C(C)[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000184599773 335079800 /nfs/dbraw/zinc/07/98/00/335079800.db2.gz AAHJBYUAUWTLHY-OAHLLOKOSA-N 1 2 320.343 2.778 20 30 DFEDLO C=CCC[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)C1CC1 ZINC000291312935 335080541 /nfs/dbraw/zinc/08/05/41/335080541.db2.gz XYPXIMYXYYEECK-GOSISDBHSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CCC[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)C1CC1 ZINC000291312935 335080542 /nfs/dbraw/zinc/08/05/42/335080542.db2.gz XYPXIMYXYYEECK-GOSISDBHSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000291394715 335082011 /nfs/dbraw/zinc/08/20/11/335082011.db2.gz DAXXFNQLNIQLAX-OAHLLOKOSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](CCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000291394715 335082012 /nfs/dbraw/zinc/08/20/12/335082012.db2.gz DAXXFNQLNIQLAX-OAHLLOKOSA-N 1 2 313.850 2.558 20 30 DFEDLO CNc1cc2c(nn1)CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000674250032 544227138 /nfs/dbraw/zinc/22/71/38/544227138.db2.gz SKPJIXJFXVRNGX-UHFFFAOYSA-N 1 2 312.804 2.582 20 30 DFEDLO CNc1cc2c(nn1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000674250032 544227139 /nfs/dbraw/zinc/22/71/39/544227139.db2.gz SKPJIXJFXVRNGX-UHFFFAOYSA-N 1 2 312.804 2.582 20 30 DFEDLO CNc1cc2c(nn1)CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000676559056 544385848 /nfs/dbraw/zinc/38/58/48/544385848.db2.gz VYERLCJUXYQOMQ-UHFFFAOYSA-N 1 2 312.804 2.582 20 30 DFEDLO CNc1cc2c(nn1)CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000676559056 544385851 /nfs/dbraw/zinc/38/58/51/544385851.db2.gz VYERLCJUXYQOMQ-UHFFFAOYSA-N 1 2 312.804 2.582 20 30 DFEDLO CCC#C[C@@H](C)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000677047448 544425650 /nfs/dbraw/zinc/42/56/50/544425650.db2.gz BCAVZCDZQDSLJK-MRXNPFEDSA-N 1 2 316.445 2.623 20 30 DFEDLO COCC#CCN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000677133300 544439402 /nfs/dbraw/zinc/43/94/02/544439402.db2.gz QPINJWRYIPNKKV-OAHLLOKOSA-N 1 2 306.837 2.668 20 30 DFEDLO COCC#CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000677133300 544439406 /nfs/dbraw/zinc/43/94/06/544439406.db2.gz QPINJWRYIPNKKV-OAHLLOKOSA-N 1 2 306.837 2.668 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478142 544495364 /nfs/dbraw/zinc/49/53/64/544495364.db2.gz OVHFCRZIGOBHAM-CHWSQXEVSA-N 1 2 310.463 2.751 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000677478142 544495368 /nfs/dbraw/zinc/49/53/68/544495368.db2.gz OVHFCRZIGOBHAM-CHWSQXEVSA-N 1 2 310.463 2.751 20 30 DFEDLO N#Cc1ccc(C[N@H+](Cc2nnc3n2CCCC3)C2CC2)cc1 ZINC000299653315 229302376 /nfs/dbraw/zinc/30/23/76/229302376.db2.gz YSPHSRLLAFQNKU-UHFFFAOYSA-N 1 2 307.401 2.651 20 30 DFEDLO N#Cc1ccc(C[N@@H+](Cc2nnc3n2CCCC3)C2CC2)cc1 ZINC000299653315 229302379 /nfs/dbraw/zinc/30/23/79/229302379.db2.gz YSPHSRLLAFQNKU-UHFFFAOYSA-N 1 2 307.401 2.651 20 30 DFEDLO N#Cc1nc(N2CCCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000302228691 230183410 /nfs/dbraw/zinc/18/34/10/230183410.db2.gz QVLYSFCBZZQTMA-UHFFFAOYSA-N 1 2 313.792 2.718 20 30 DFEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000680428248 545007069 /nfs/dbraw/zinc/00/70/69/545007069.db2.gz XKGWTQGVQQLPSM-RISCZKNCSA-N 1 2 305.353 2.772 20 30 DFEDLO N#Cc1cccc(C#N)c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000302467687 230256096 /nfs/dbraw/zinc/25/60/96/230256096.db2.gz SVGOYUUEZHLXMB-UHFFFAOYSA-N 1 2 303.369 2.906 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066904810 425907580 /nfs/dbraw/zinc/90/75/80/425907580.db2.gz FEGBEUBTDWIWLB-INIZCTEOSA-N 1 2 316.449 2.591 20 30 DFEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068807305 425921087 /nfs/dbraw/zinc/92/10/87/425921087.db2.gz HLUUZLGDFWOUGN-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068807305 425921089 /nfs/dbraw/zinc/92/10/89/425921089.db2.gz HLUUZLGDFWOUGN-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO N#Cc1ccc(C[N@H+](Cc2cn(CC3CC3)nn2)C2CC2)cc1 ZINC000450296701 269961934 /nfs/dbraw/zinc/96/19/34/269961934.db2.gz FPNBTLAASVOCMO-UHFFFAOYSA-N 1 2 307.401 2.724 20 30 DFEDLO N#Cc1ccc(C[N@@H+](Cc2cn(CC3CC3)nn2)C2CC2)cc1 ZINC000450296701 269961935 /nfs/dbraw/zinc/96/19/35/269961935.db2.gz FPNBTLAASVOCMO-UHFFFAOYSA-N 1 2 307.401 2.724 20 30 DFEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069070180 425928497 /nfs/dbraw/zinc/92/84/97/425928497.db2.gz KNNAOTNODCQGJQ-CQSZACIVSA-N 1 2 303.406 2.957 20 30 DFEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069070180 425928501 /nfs/dbraw/zinc/92/85/01/425928501.db2.gz KNNAOTNODCQGJQ-CQSZACIVSA-N 1 2 303.406 2.957 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000425335581 270000953 /nfs/dbraw/zinc/00/09/53/270000953.db2.gz IWKBQGFKLBYIFO-SFHVURJKSA-N 1 2 310.401 2.909 20 30 DFEDLO Cc1nc(N(Cc2ccc(C#N)cc2)CC(C)C)nc(N(C)C)[nH+]1 ZINC000488384673 270002266 /nfs/dbraw/zinc/00/22/66/270002266.db2.gz HSWUVZPLLXEOGR-UHFFFAOYSA-N 1 2 324.432 2.780 20 30 DFEDLO Cc1nc(N(C)C)nc(N(Cc2ccc(C#N)cc2)CC(C)C)[nH+]1 ZINC000488384673 270002267 /nfs/dbraw/zinc/00/22/67/270002267.db2.gz HSWUVZPLLXEOGR-UHFFFAOYSA-N 1 2 324.432 2.780 20 30 DFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000534523906 270003095 /nfs/dbraw/zinc/00/30/95/270003095.db2.gz TZVKZVSJZAWRAN-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000534473767 270003192 /nfs/dbraw/zinc/00/31/92/270003192.db2.gz XYHWBZMXYFVAJT-TXEJJXNPSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000534473767 270003193 /nfs/dbraw/zinc/00/31/93/270003193.db2.gz XYHWBZMXYFVAJT-TXEJJXNPSA-N 1 2 304.415 2.671 20 30 DFEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000157222653 425937289 /nfs/dbraw/zinc/93/72/89/425937289.db2.gz HZTQHLJSEVDABK-AWEZNQCLSA-N 1 2 310.319 2.592 20 30 DFEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000157222653 425937292 /nfs/dbraw/zinc/93/72/92/425937292.db2.gz HZTQHLJSEVDABK-AWEZNQCLSA-N 1 2 310.319 2.592 20 30 DFEDLO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1nnc2n1CCCC2 ZINC000451401657 266889052 /nfs/dbraw/zinc/88/90/52/266889052.db2.gz GIQCMWSYFUCXPX-UHFFFAOYSA-N 1 2 313.380 2.650 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](COC)C(=O)OCC ZINC000489050712 267011940 /nfs/dbraw/zinc/01/19/40/267011940.db2.gz ZBUOQCDQDNSAEA-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](COC)C(=O)OCC ZINC000489050712 267011943 /nfs/dbraw/zinc/01/19/43/267011943.db2.gz ZBUOQCDQDNSAEA-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428245861 267057270 /nfs/dbraw/zinc/05/72/70/267057270.db2.gz KHVPIUPMNMPNLN-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428245861 267057273 /nfs/dbraw/zinc/05/72/73/267057273.db2.gz KHVPIUPMNMPNLN-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc(C#N)cc1Cl ZINC000352009215 267110762 /nfs/dbraw/zinc/11/07/62/267110762.db2.gz TXECMZFESYXPDB-CXAGYDPISA-N 1 2 319.836 2.507 20 30 DFEDLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000491140361 267120680 /nfs/dbraw/zinc/12/06/80/267120680.db2.gz KIKOORRPVNRJEO-UHFFFAOYSA-N 1 2 319.380 2.750 20 30 DFEDLO CCOC(=O)Nc1ccc(NCc2[nH+]ccn2CC)cc1C#N ZINC000495190542 267130621 /nfs/dbraw/zinc/13/06/21/267130621.db2.gz ORQVUEFZQDJNGN-UHFFFAOYSA-N 1 2 313.361 2.955 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000443073759 267132241 /nfs/dbraw/zinc/13/22/41/267132241.db2.gz WSKICXWWKJNFEK-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000443073759 267132243 /nfs/dbraw/zinc/13/22/43/267132243.db2.gz WSKICXWWKJNFEK-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000399225973 267223993 /nfs/dbraw/zinc/22/39/93/267223993.db2.gz XXUIDHFSPCXPJJ-HZMBPMFUSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000399225973 267223995 /nfs/dbraw/zinc/22/39/95/267223995.db2.gz XXUIDHFSPCXPJJ-HZMBPMFUSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277346 267248510 /nfs/dbraw/zinc/24/85/10/267248510.db2.gz KWVQDSXGAGKDMR-GWCFXTLKSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277346 267248511 /nfs/dbraw/zinc/24/85/11/267248511.db2.gz KWVQDSXGAGKDMR-GWCFXTLKSA-N 1 2 311.307 2.769 20 30 DFEDLO CCn1cc([C@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)CCO2)cn1 ZINC000488996551 267253542 /nfs/dbraw/zinc/25/35/42/267253542.db2.gz YZGQQJBQTJIYMH-GOSISDBHSA-N 1 2 310.401 2.657 20 30 DFEDLO CCn1cc([C@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)CCO2)cn1 ZINC000488996551 267253543 /nfs/dbraw/zinc/25/35/43/267253543.db2.gz YZGQQJBQTJIYMH-GOSISDBHSA-N 1 2 310.401 2.657 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000456387937 267257026 /nfs/dbraw/zinc/25/70/26/267257026.db2.gz NNWACOIXEDZBHM-LBPRGKRZSA-N 1 2 314.414 2.744 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425585169 267257927 /nfs/dbraw/zinc/25/79/27/267257927.db2.gz KBZXUNLHCOYEKV-ZDUSSCGKSA-N 1 2 311.389 2.677 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000492495704 267258078 /nfs/dbraw/zinc/25/80/78/267258078.db2.gz YHQPYMAAUVLZET-SREVYHEPSA-N 1 2 311.389 2.983 20 30 DFEDLO C[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000438782846 267305223 /nfs/dbraw/zinc/30/52/23/267305223.db2.gz CKQGURUYHRZXKH-UHFFFAOYSA-N 1 2 310.279 2.992 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000438782846 267305225 /nfs/dbraw/zinc/30/52/25/267305225.db2.gz CKQGURUYHRZXKH-UHFFFAOYSA-N 1 2 310.279 2.992 20 30 DFEDLO C[N@H+](CCC(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434830282 267306061 /nfs/dbraw/zinc/30/60/61/267306061.db2.gz IKSRGPKXYDOPPF-JTQLQIEISA-N 1 2 317.336 2.609 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434830282 267306063 /nfs/dbraw/zinc/30/60/63/267306063.db2.gz IKSRGPKXYDOPPF-JTQLQIEISA-N 1 2 317.336 2.609 20 30 DFEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000428466211 267319688 /nfs/dbraw/zinc/31/96/88/267319688.db2.gz YMZNUUQRUWLCSD-CQSZACIVSA-N 1 2 312.344 2.969 20 30 DFEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000428466211 267319690 /nfs/dbraw/zinc/31/96/90/267319690.db2.gz YMZNUUQRUWLCSD-CQSZACIVSA-N 1 2 312.344 2.969 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000173099627 267642523 /nfs/dbraw/zinc/64/25/23/267642523.db2.gz XQODFMRZBUMGSU-UHFFFAOYSA-N 1 2 315.336 2.727 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000026323677 425810489 /nfs/dbraw/zinc/81/04/89/425810489.db2.gz GQWGKZBJTFFYIC-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000026323677 425810490 /nfs/dbraw/zinc/81/04/90/425810490.db2.gz GQWGKZBJTFFYIC-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO Cc1cc(NCc2cccc(OCC(F)F)c2)c(C#N)c[nH+]1 ZINC000425222900 267952638 /nfs/dbraw/zinc/95/26/38/267952638.db2.gz JGVCAPFESSMESQ-UHFFFAOYSA-N 1 2 303.312 2.940 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000046518980 425865571 /nfs/dbraw/zinc/86/55/71/425865571.db2.gz SZGWYAWWFDQCFG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000046518980 425865572 /nfs/dbraw/zinc/86/55/72/425865572.db2.gz SZGWYAWWFDQCFG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046518908 425865787 /nfs/dbraw/zinc/86/57/87/425865787.db2.gz LDEXHLNGXSDMHC-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046518908 425865788 /nfs/dbraw/zinc/86/57/88/425865788.db2.gz LDEXHLNGXSDMHC-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000041816260 425852692 /nfs/dbraw/zinc/85/26/92/425852692.db2.gz UVBWOLRAUPYHET-UHFFFAOYSA-N 1 2 316.364 2.852 20 30 DFEDLO Cc1cc(Cl)cc(C#N)c1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000421188165 268002582 /nfs/dbraw/zinc/00/25/82/268002582.db2.gz JMWKGPYBAXJEHB-GASCZTMLSA-N 1 2 306.793 2.762 20 30 DFEDLO Cc1cc(Cl)cc(C#N)c1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000421188165 268002585 /nfs/dbraw/zinc/00/25/85/268002585.db2.gz JMWKGPYBAXJEHB-GASCZTMLSA-N 1 2 306.793 2.762 20 30 DFEDLO N#Cc1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)ccc1F ZINC000352399012 268011736 /nfs/dbraw/zinc/01/17/36/268011736.db2.gz HIKSOVKZOROLGI-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Cc3c(F)cccc3C#N)[nH+]c2c1 ZINC000507452568 268062100 /nfs/dbraw/zinc/06/21/00/268062100.db2.gz WJOGEEWVYWHZTM-UHFFFAOYSA-N 1 2 322.343 2.512 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)c1ccc(C#N)cc1 ZINC000440060133 268080142 /nfs/dbraw/zinc/08/01/42/268080142.db2.gz GZTMRUJSQSICNY-UHFFFAOYSA-N 1 2 304.353 2.879 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(C)ncc1C#N ZINC000425200120 268081008 /nfs/dbraw/zinc/08/10/08/268081008.db2.gz JRXLKXLGOCJBDO-UHFFFAOYSA-N 1 2 305.385 2.844 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000448580420 268218988 /nfs/dbraw/zinc/21/89/88/268218988.db2.gz YIOGQSRDRVEMGN-GBESFXJTSA-N 1 2 323.440 2.639 20 30 DFEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000422213455 268227798 /nfs/dbraw/zinc/22/77/98/268227798.db2.gz GATBJRFDRPSKNX-CYBMUJFWSA-N 1 2 315.402 2.780 20 30 DFEDLO N#Cc1ccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000531432652 268243969 /nfs/dbraw/zinc/24/39/69/268243969.db2.gz DLOJMWHINYVHCA-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000491577650 268265589 /nfs/dbraw/zinc/26/55/89/268265589.db2.gz YRUOQFFKPYASPV-MDZDMXLPSA-N 1 2 320.396 2.975 20 30 DFEDLO N#Cc1cccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000530910079 268278845 /nfs/dbraw/zinc/27/88/45/268278845.db2.gz ULSGCYKUEKVJNY-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO N#Cc1cccc(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421184118 268286419 /nfs/dbraw/zinc/28/64/19/268286419.db2.gz PBPDIJRGXMGSIW-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000459327991 268289379 /nfs/dbraw/zinc/28/93/79/268289379.db2.gz PISSKCSZHNPHKZ-AWEZNQCLSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000459327991 268289381 /nfs/dbraw/zinc/28/93/81/268289381.db2.gz PISSKCSZHNPHKZ-AWEZNQCLSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000459333355 268290311 /nfs/dbraw/zinc/29/03/11/268290311.db2.gz ZZJUVJDQGMZPKK-UHFFFAOYSA-N 1 2 311.345 2.569 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000432561683 268320297 /nfs/dbraw/zinc/32/02/97/268320297.db2.gz YPXKYZMHJGDNAN-UHFFFAOYSA-N 1 2 316.773 2.851 20 30 DFEDLO C[C@@H]1[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1(C)C ZINC000331043268 268355434 /nfs/dbraw/zinc/35/54/34/268355434.db2.gz FWLDLVBYKMBWGJ-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H]1[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1(C)C ZINC000331043268 268355435 /nfs/dbraw/zinc/35/54/35/268355435.db2.gz FWLDLVBYKMBWGJ-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000333060872 268372054 /nfs/dbraw/zinc/37/20/54/268372054.db2.gz IGWSYYMPUOPOSB-HNNXBMFYSA-N 1 2 308.385 2.824 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(C#N)cs2)CC1(C)C ZINC000333111210 268375262 /nfs/dbraw/zinc/37/52/62/268375262.db2.gz SDJCOEOCLIFDDA-LBPRGKRZSA-N 1 2 300.387 2.577 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)Cc2cnn(C)c2)c1C ZINC000103474559 425950613 /nfs/dbraw/zinc/95/06/13/425950613.db2.gz BHUMKDXZTORADK-UHFFFAOYSA-N 1 2 314.433 2.729 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC)Cc2cnn(C)c2)c1C ZINC000103474559 425950615 /nfs/dbraw/zinc/95/06/15/425950615.db2.gz BHUMKDXZTORADK-UHFFFAOYSA-N 1 2 314.433 2.729 20 30 DFEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000106419013 425973503 /nfs/dbraw/zinc/97/35/03/425973503.db2.gz DGXRYSKAUAYCNE-OAHLLOKOSA-N 1 2 324.771 2.911 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000106867813 425976967 /nfs/dbraw/zinc/97/69/67/425976967.db2.gz CDZUHHYOQLTTBK-HNNXBMFYSA-N 1 2 301.390 2.657 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000106867813 425976969 /nfs/dbraw/zinc/97/69/69/425976969.db2.gz CDZUHHYOQLTTBK-HNNXBMFYSA-N 1 2 301.390 2.657 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000126629456 426028516 /nfs/dbraw/zinc/02/85/16/426028516.db2.gz MUDGBTHMOQGBED-KBPBESRZSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000126629456 426028517 /nfs/dbraw/zinc/02/85/17/426028517.db2.gz MUDGBTHMOQGBED-KBPBESRZSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000126257821 426012512 /nfs/dbraw/zinc/01/25/12/426012512.db2.gz WAMKLJRWBFGHAH-CQSZACIVSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CCOc1cccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000126257821 426012514 /nfs/dbraw/zinc/01/25/14/426012514.db2.gz WAMKLJRWBFGHAH-CQSZACIVSA-N 1 2 323.458 2.649 20 30 DFEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000127735494 426082191 /nfs/dbraw/zinc/08/21/91/426082191.db2.gz ACDQFHCXFJQAIR-BBRMVZONSA-N 1 2 309.373 2.870 20 30 DFEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC#N)CC1 ZINC000075832890 426084071 /nfs/dbraw/zinc/08/40/71/426084071.db2.gz GUMMULRHTZOQQJ-GFCCVEGCSA-N 1 2 308.223 2.651 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116971341 426203827 /nfs/dbraw/zinc/20/38/27/426203827.db2.gz DYBKMRFLCHTRPS-CYBMUJFWSA-N 1 2 322.478 2.633 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116971341 426203829 /nfs/dbraw/zinc/20/38/29/426203829.db2.gz DYBKMRFLCHTRPS-CYBMUJFWSA-N 1 2 322.478 2.633 20 30 DFEDLO C=CC[C@H](C)NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116971340 426203880 /nfs/dbraw/zinc/20/38/80/426203880.db2.gz DYBKMRFLCHTRPS-ZDUSSCGKSA-N 1 2 322.478 2.633 20 30 DFEDLO C=CC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116971340 426203882 /nfs/dbraw/zinc/20/38/82/426203882.db2.gz DYBKMRFLCHTRPS-ZDUSSCGKSA-N 1 2 322.478 2.633 20 30 DFEDLO C=CCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000135087219 426205463 /nfs/dbraw/zinc/20/54/63/426205463.db2.gz BCDPEYKRIFRUJJ-UHFFFAOYSA-N 1 2 314.345 2.819 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000081578337 426224774 /nfs/dbraw/zinc/22/47/74/426224774.db2.gz BODBRKJGQXIWDR-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000081578337 426224777 /nfs/dbraw/zinc/22/47/77/426224777.db2.gz BODBRKJGQXIWDR-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117893546 426225220 /nfs/dbraw/zinc/22/52/20/426225220.db2.gz VEDXEYSCVUQRRK-KRWDZBQOSA-N 1 2 317.458 2.892 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117893546 426225222 /nfs/dbraw/zinc/22/52/22/426225222.db2.gz VEDXEYSCVUQRRK-KRWDZBQOSA-N 1 2 317.458 2.892 20 30 DFEDLO O=C(Nc1nc[nH]n1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081938040 426227307 /nfs/dbraw/zinc/22/73/07/426227307.db2.gz DUQUANQYQISBHU-CYBMUJFWSA-N 1 2 303.341 2.587 20 30 DFEDLO O=C(Nc1nc[nH]n1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081938040 426227310 /nfs/dbraw/zinc/22/73/10/426227310.db2.gz DUQUANQYQISBHU-CYBMUJFWSA-N 1 2 303.341 2.587 20 30 DFEDLO CCOC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083173101 426229304 /nfs/dbraw/zinc/22/93/04/426229304.db2.gz BLDARKFAJFHUBS-RDJZCZTQSA-N 1 2 316.401 2.521 20 30 DFEDLO CCOC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083173101 426229306 /nfs/dbraw/zinc/22/93/06/426229306.db2.gz BLDARKFAJFHUBS-RDJZCZTQSA-N 1 2 316.401 2.521 20 30 DFEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000137955546 426256601 /nfs/dbraw/zinc/25/66/01/426256601.db2.gz XOAAFDDBZIXYNZ-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO N#CC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000135161200 426207522 /nfs/dbraw/zinc/20/75/22/426207522.db2.gz BDEUDBZJJQTJAL-UHFFFAOYSA-N 1 2 322.290 2.889 20 30 DFEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000175338357 426297879 /nfs/dbraw/zinc/29/78/79/426297879.db2.gz FGWJHLXGINDXSQ-UHFFFAOYSA-N 1 2 323.400 2.592 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120032393 426306272 /nfs/dbraw/zinc/30/62/72/426306272.db2.gz FJPIJHZPWVHLMA-LRDDRELGSA-N 1 2 324.856 2.553 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120032393 426306274 /nfs/dbraw/zinc/30/62/74/426306274.db2.gz FJPIJHZPWVHLMA-LRDDRELGSA-N 1 2 324.856 2.553 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120663343 426313182 /nfs/dbraw/zinc/31/31/82/426313182.db2.gz VVKYAGGFFSWUOD-MRXNPFEDSA-N 1 2 324.380 2.940 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000121081583 426320991 /nfs/dbraw/zinc/32/09/91/426320991.db2.gz XEMMLIANZACMCZ-GFCCVEGCSA-N 1 2 304.268 2.506 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000121081583 426320993 /nfs/dbraw/zinc/32/09/93/426320993.db2.gz XEMMLIANZACMCZ-GFCCVEGCSA-N 1 2 304.268 2.506 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152116763 426327676 /nfs/dbraw/zinc/32/76/76/426327676.db2.gz PFYNWEZZAHGRSJ-PBHICJAKSA-N 1 2 323.400 2.547 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612953 426329500 /nfs/dbraw/zinc/32/95/00/426329500.db2.gz IPWZYUDYTORAIO-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612953 426329502 /nfs/dbraw/zinc/32/95/02/426329502.db2.gz IPWZYUDYTORAIO-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)[nH+]c1C ZINC000121619457 426350915 /nfs/dbraw/zinc/35/09/15/426350915.db2.gz SXGCKCKKAJJZSW-UHFFFAOYSA-N 1 2 311.341 2.596 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC)cc1OC ZINC000093441047 426356110 /nfs/dbraw/zinc/35/61/10/426356110.db2.gz WYQHWSJNFIUQSI-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)cc1OC ZINC000093441047 426356113 /nfs/dbraw/zinc/35/61/13/426356113.db2.gz WYQHWSJNFIUQSI-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457924 426357090 /nfs/dbraw/zinc/35/70/90/426357090.db2.gz WJJQWQZUTGRZFT-FQEVSTJZSA-N 1 2 323.392 2.978 20 30 DFEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457924 426357092 /nfs/dbraw/zinc/35/70/92/426357092.db2.gz WJJQWQZUTGRZFT-FQEVSTJZSA-N 1 2 323.392 2.978 20 30 DFEDLO Cc1cccn2cc(C[S@@](=O)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000176541242 426392268 /nfs/dbraw/zinc/39/22/68/426392268.db2.gz VNLBAJODKYPZFG-QFIPXVFZSA-N 1 2 309.394 2.963 20 30 DFEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc2)[nH]1 ZINC000176961731 426428203 /nfs/dbraw/zinc/42/82/03/426428203.db2.gz OTSIWISJZXXQLE-OAHLLOKOSA-N 1 2 309.398 2.926 20 30 DFEDLO CCc1noc([C@@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000123508349 426438057 /nfs/dbraw/zinc/43/80/57/426438057.db2.gz STAHGOVKQXJZCB-SECBINFHSA-N 1 2 308.769 2.878 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000123558501 426440226 /nfs/dbraw/zinc/44/02/26/426440226.db2.gz DPKXLDKZGWQSDA-IBGZPJMESA-N 1 2 322.408 2.925 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000123558501 426440230 /nfs/dbraw/zinc/44/02/30/426440230.db2.gz DPKXLDKZGWQSDA-IBGZPJMESA-N 1 2 322.408 2.925 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccnc1 ZINC000340780418 269011658 /nfs/dbraw/zinc/01/16/58/269011658.db2.gz TUYANAXTJRNQNK-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO Cc1ccncc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000341091060 269042609 /nfs/dbraw/zinc/04/26/09/269042609.db2.gz QVUSYHLVGXUIIV-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439437 269076942 /nfs/dbraw/zinc/07/69/42/269076942.db2.gz KPMKMPZJFKEJHN-RDJZCZTQSA-N 1 2 309.369 2.823 20 30 DFEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439437 269076944 /nfs/dbraw/zinc/07/69/44/269076944.db2.gz KPMKMPZJFKEJHN-RDJZCZTQSA-N 1 2 309.369 2.823 20 30 DFEDLO CCOC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177263852 426461880 /nfs/dbraw/zinc/46/18/80/426461880.db2.gz CIORDHHMLTWSJT-UHFFFAOYSA-N 1 2 321.446 2.676 20 30 DFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000194627567 426488805 /nfs/dbraw/zinc/48/88/05/426488805.db2.gz ZAFACGJDXKSNQW-SNVBAGLBSA-N 1 2 300.387 2.916 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000264422793 426551297 /nfs/dbraw/zinc/55/12/97/426551297.db2.gz ALKXZTXTEUKGSM-ZDUSSCGKSA-N 1 2 301.390 2.624 20 30 DFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000194627553 426489041 /nfs/dbraw/zinc/48/90/41/426489041.db2.gz ZAFACGJDXKSNQW-JTQLQIEISA-N 1 2 300.387 2.916 20 30 DFEDLO N#Cc1ccc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)c(F)c1 ZINC000195028036 426499250 /nfs/dbraw/zinc/49/92/50/426499250.db2.gz NTSXSOQOBRWMHR-INIZCTEOSA-N 1 2 307.332 2.695 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195055212 426499742 /nfs/dbraw/zinc/49/97/42/426499742.db2.gz BVEPGMHQOXLBNG-GXTWGEPZSA-N 1 2 301.415 2.513 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177623661 426499774 /nfs/dbraw/zinc/49/97/74/426499774.db2.gz KLGOPRFNGITAAI-ZDUSSCGKSA-N 1 2 307.825 2.756 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177623661 426499775 /nfs/dbraw/zinc/49/97/75/426499775.db2.gz KLGOPRFNGITAAI-ZDUSSCGKSA-N 1 2 307.825 2.756 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000195125455 426502495 /nfs/dbraw/zinc/50/24/95/426502495.db2.gz AGFSXQKMJQLRRH-UHFFFAOYSA-N 1 2 306.369 2.862 20 30 DFEDLO C=C1CC[NH+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000264511059 426565403 /nfs/dbraw/zinc/56/54/03/426565403.db2.gz XRMWPDSXFVHQTG-AWEZNQCLSA-N 1 2 318.417 2.533 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000272650268 426571517 /nfs/dbraw/zinc/57/15/17/426571517.db2.gz ZEVJRGPOZKMRLC-UHFFFAOYSA-N 1 2 316.792 2.776 20 30 DFEDLO Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000273045668 426582032 /nfs/dbraw/zinc/58/20/32/426582032.db2.gz PXFVVMFRULNKGD-KRWDZBQOSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000273045668 426582037 /nfs/dbraw/zinc/58/20/37/426582037.db2.gz PXFVVMFRULNKGD-KRWDZBQOSA-N 1 2 322.412 2.575 20 30 DFEDLO N#Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000178200506 426584997 /nfs/dbraw/zinc/58/49/97/426584997.db2.gz ITDKZKJEWTWCOT-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)on1 ZINC000280533505 426593966 /nfs/dbraw/zinc/59/39/66/426593966.db2.gz LKDFBNQUXKNEAZ-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000265218322 426599337 /nfs/dbraw/zinc/59/93/37/426599337.db2.gz GAQZUBLVZMHELW-LJQANCHMSA-N 1 2 322.408 2.618 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(CCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000186912871 426606965 /nfs/dbraw/zinc/60/69/65/426606965.db2.gz YQPOXUIYHMKQEC-KRWDZBQOSA-N 1 2 307.459 2.814 20 30 DFEDLO C=CC[N@H+](Cc1cccc(CCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000186912871 426606970 /nfs/dbraw/zinc/60/69/70/426606970.db2.gz YQPOXUIYHMKQEC-KRWDZBQOSA-N 1 2 307.459 2.814 20 30 DFEDLO Cc1sc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c(C#N)c1C ZINC000272561979 426557455 /nfs/dbraw/zinc/55/74/55/426557455.db2.gz LUIMGSVWXVHQSF-UHFFFAOYSA-N 1 2 316.430 2.801 20 30 DFEDLO C=C(Cl)C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280729917 426644728 /nfs/dbraw/zinc/64/47/28/426644728.db2.gz GRMQDLGMPBQOAI-GXTWGEPZSA-N 1 2 301.839 2.811 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000280742965 426646772 /nfs/dbraw/zinc/64/67/72/426646772.db2.gz LIZIKTXHVLCXHI-RHSMWYFYSA-N 1 2 302.422 2.860 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000280742965 426646774 /nfs/dbraw/zinc/64/67/74/426646774.db2.gz LIZIKTXHVLCXHI-RHSMWYFYSA-N 1 2 302.422 2.860 20 30 DFEDLO Cc1ccc([C@@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000265571104 426654905 /nfs/dbraw/zinc/65/49/05/426654905.db2.gz VDJIIURAELUBAO-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273527862 426680011 /nfs/dbraw/zinc/68/00/11/426680011.db2.gz SGWVJMFPBQAVAF-HOCLYGCPSA-N 1 2 320.433 2.708 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000280667016 426628723 /nfs/dbraw/zinc/62/87/23/426628723.db2.gz POERUXYUIBJWGP-IMJJTQAJSA-N 1 2 307.365 2.611 20 30 DFEDLO C#CCCCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281303049 426709155 /nfs/dbraw/zinc/70/91/55/426709155.db2.gz XFIMKGHGSDWVDH-HNNXBMFYSA-N 1 2 302.422 2.943 20 30 DFEDLO C=CCCO[C@@H](C)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000273698804 426710063 /nfs/dbraw/zinc/71/00/63/426710063.db2.gz JOTZYPJBAXWCQF-LBPRGKRZSA-N 1 2 311.345 2.971 20 30 DFEDLO C=CCc1cc(C[N@H+](CCC)CC(=O)OC)cc(OC)c1O ZINC000178872214 426710875 /nfs/dbraw/zinc/71/08/75/426710875.db2.gz YMAJTDLTQOIRPG-UHFFFAOYSA-N 1 2 307.390 2.514 20 30 DFEDLO C=CCc1cc(C[N@@H+](CCC)CC(=O)OC)cc(OC)c1O ZINC000178872214 426710877 /nfs/dbraw/zinc/71/08/77/426710877.db2.gz YMAJTDLTQOIRPG-UHFFFAOYSA-N 1 2 307.390 2.514 20 30 DFEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000274141134 426718086 /nfs/dbraw/zinc/71/80/86/426718086.db2.gz CEXQXTNGPXVWBS-GFCCVEGCSA-N 1 2 313.854 2.889 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C1=O ZINC000281412301 426718620 /nfs/dbraw/zinc/71/86/20/426718620.db2.gz RGARIOOCXGWZQF-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C1=O ZINC000281412301 426718624 /nfs/dbraw/zinc/71/86/24/426718624.db2.gz RGARIOOCXGWZQF-AWEZNQCLSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281421076 426720145 /nfs/dbraw/zinc/72/01/45/426720145.db2.gz QUMOLBSNMYXHKX-AWEZNQCLSA-N 1 2 322.478 2.715 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281421076 426720148 /nfs/dbraw/zinc/72/01/48/426720148.db2.gz QUMOLBSNMYXHKX-AWEZNQCLSA-N 1 2 322.478 2.715 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000281542479 426720994 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N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000292060532 427075466 /nfs/dbraw/zinc/07/54/66/427075466.db2.gz BZEVXLXIJBXERD-ZDUSSCGKSA-N 1 2 315.323 2.885 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329280023 427080937 /nfs/dbraw/zinc/08/09/37/427080937.db2.gz LXRRWPHIFNZZNB-PVAVHDDUSA-N 1 2 324.465 2.647 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329280023 427080944 /nfs/dbraw/zinc/08/09/44/427080944.db2.gz LXRRWPHIFNZZNB-PVAVHDDUSA-N 1 2 324.465 2.647 20 30 DFEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)CC)[nH+]c1 ZINC000190365083 427085414 /nfs/dbraw/zinc/08/54/14/427085414.db2.gz AXDNUEISJQTFED-SFHVURJKSA-N 1 2 320.396 2.737 20 30 DFEDLO C[N@H+](Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182599304 427106679 /nfs/dbraw/zinc/10/66/79/427106679.db2.gz OETTXGVPHIHFAR-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182599304 427106689 /nfs/dbraw/zinc/10/66/89/427106689.db2.gz OETTXGVPHIHFAR-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329418915 427112586 /nfs/dbraw/zinc/11/25/86/427112586.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329418915 427112593 /nfs/dbraw/zinc/11/25/93/427112593.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000329418915 427112600 /nfs/dbraw/zinc/11/26/00/427112600.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)n1 ZINC000329418915 427112609 /nfs/dbraw/zinc/11/26/09/427112609.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329418915 427112619 /nfs/dbraw/zinc/11/26/19/427112619.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329418915 427112626 /nfs/dbraw/zinc/11/26/26/427112626.db2.gz DVQOCXCHJILYHJ-ZDUSSCGKSA-N 1 2 305.426 2.582 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329459053 427118649 /nfs/dbraw/zinc/11/86/49/427118649.db2.gz OSDDKEWHCPVABO-UHFFFAOYSA-N 1 2 314.345 2.564 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329459053 427118655 /nfs/dbraw/zinc/11/86/55/427118655.db2.gz OSDDKEWHCPVABO-UHFFFAOYSA-N 1 2 314.345 2.564 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C[C@H](C)C#N ZINC000249948942 427153682 /nfs/dbraw/zinc/15/36/82/427153682.db2.gz JWMFVUZZYGEMJV-CHWSQXEVSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C[C@H](C)C#N ZINC000249948942 427153690 /nfs/dbraw/zinc/15/36/90/427153690.db2.gz JWMFVUZZYGEMJV-CHWSQXEVSA-N 1 2 307.825 2.999 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000338227252 427201424 /nfs/dbraw/zinc/20/14/24/427201424.db2.gz ORABWWUICYDSEY-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000330658495 427284477 /nfs/dbraw/zinc/28/44/77/427284477.db2.gz MTLXSIIRGWTZSP-ZYHUDNBSSA-N 1 2 322.206 2.669 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000330658492 427284810 /nfs/dbraw/zinc/28/48/10/427284810.db2.gz MTLXSIIRGWTZSP-CMPLNLGQSA-N 1 2 322.206 2.669 20 30 DFEDLO Cc1coc(C)c1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000330469973 427244912 /nfs/dbraw/zinc/24/49/12/427244912.db2.gz LYHHENQVKRHOJZ-OAHLLOKOSA-N 1 2 308.422 2.948 20 30 DFEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000330507668 427252627 /nfs/dbraw/zinc/25/26/27/427252627.db2.gz IHTDROAHESNEMR-KRWDZBQOSA-N 1 2 312.373 2.609 20 30 DFEDLO CC[C@@]1(C)COCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000330507668 427252637 /nfs/dbraw/zinc/25/26/37/427252637.db2.gz IHTDROAHESNEMR-KRWDZBQOSA-N 1 2 312.373 2.609 20 30 DFEDLO C=C(C)COCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255522024 427273991 /nfs/dbraw/zinc/27/39/91/427273991.db2.gz CKBIKEWEQULWAS-YVMONPNESA-N 1 2 311.385 2.594 20 30 DFEDLO CCc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C ZINC000330612978 427276361 /nfs/dbraw/zinc/27/63/61/427276361.db2.gz YKMUQTDPROUERP-HUUCEWRRSA-N 1 2 319.449 2.993 20 30 DFEDLO Cc1cnc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000330624592 427277489 /nfs/dbraw/zinc/27/74/89/427277489.db2.gz GKJSFQGAGCGPOW-OAHLLOKOSA-N 1 2 310.401 2.734 20 30 DFEDLO CC[C@H](CSC)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330657798 427283409 /nfs/dbraw/zinc/28/34/09/427283409.db2.gz WLYSDQSTOUVEBA-QWHCGFSZSA-N 1 2 310.467 2.714 20 30 DFEDLO C#CCC(CC#C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000277703094 427291090 /nfs/dbraw/zinc/29/10/90/427291090.db2.gz OKYUORZVOYPVEW-UHFFFAOYSA-N 1 2 305.381 2.902 20 30 DFEDLO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(O)c1F ZINC000330672840 427291512 /nfs/dbraw/zinc/29/15/12/427291512.db2.gz OLPCXYRXPZJBIB-VIFPVBQESA-N 1 2 316.323 2.989 20 30 DFEDLO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(O)c1F ZINC000330672840 427291517 /nfs/dbraw/zinc/29/15/17/427291517.db2.gz OLPCXYRXPZJBIB-VIFPVBQESA-N 1 2 316.323 2.989 20 30 DFEDLO COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000338567555 427384417 /nfs/dbraw/zinc/38/44/17/427384417.db2.gz XXSRUZDJIJVVIA-MRXNPFEDSA-N 1 2 316.401 2.521 20 30 DFEDLO COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000338567555 427384424 /nfs/dbraw/zinc/38/44/24/427384424.db2.gz XXSRUZDJIJVVIA-MRXNPFEDSA-N 1 2 316.401 2.521 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4c3OCC[C@@H]4O)n2c1 ZINC000184077323 427387061 /nfs/dbraw/zinc/38/70/61/427387061.db2.gz RGQFNMPMFNAIMR-INIZCTEOSA-N 1 2 320.352 2.634 20 30 DFEDLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331284382 427392682 /nfs/dbraw/zinc/39/26/82/427392682.db2.gz WYHBSMMFCPUNSL-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331284382 427392690 /nfs/dbraw/zinc/39/26/90/427392690.db2.gz WYHBSMMFCPUNSL-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000297360764 427403250 /nfs/dbraw/zinc/40/32/50/427403250.db2.gz OUAVRIKGLWXOLJ-DZGCQCFKSA-N 1 2 320.437 2.542 20 30 DFEDLO C=CC[NH+](CC=C)CCCS(=O)(=O)c1ccccc1OC ZINC000184185948 427411248 /nfs/dbraw/zinc/41/12/48/427411248.db2.gz XBFNQSKWSXGWBS-UHFFFAOYSA-N 1 2 309.431 2.533 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000331136162 427354202 /nfs/dbraw/zinc/35/42/02/427354202.db2.gz KRUMCMJFMGHHSY-AWEZNQCLSA-N 1 2 304.438 2.926 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000331136162 427354210 /nfs/dbraw/zinc/35/42/10/427354210.db2.gz KRUMCMJFMGHHSY-AWEZNQCLSA-N 1 2 304.438 2.926 20 30 DFEDLO C#CC[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000270469078 427358742 /nfs/dbraw/zinc/35/87/42/427358742.db2.gz VDJNIDRSNWNKBW-QGZVFWFLSA-N 1 2 322.412 2.783 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C#N)cc1 ZINC000339540256 271690433 /nfs/dbraw/zinc/69/04/33/271690433.db2.gz OVIFXANGCJJASJ-XJKSGUPXSA-N 1 2 323.400 2.552 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000297919743 427483756 /nfs/dbraw/zinc/48/37/56/427483756.db2.gz QHNTWAJMVDBEOR-CQSZACIVSA-N 1 2 316.401 2.849 20 30 DFEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000271346178 427505676 /nfs/dbraw/zinc/50/56/76/427505676.db2.gz DYLFFJCDXMPOKU-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO C#CC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000192218818 427506046 /nfs/dbraw/zinc/50/60/46/427506046.db2.gz CCRYGOUSQQUSOR-UHFFFAOYSA-N 1 2 306.163 2.564 20 30 DFEDLO C#CC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000192218818 427506049 /nfs/dbraw/zinc/50/60/49/427506049.db2.gz CCRYGOUSQQUSOR-UHFFFAOYSA-N 1 2 306.163 2.564 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000271380570 427516352 /nfs/dbraw/zinc/51/63/52/427516352.db2.gz IEYXPDOLZWZWAP-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000271380570 427516359 /nfs/dbraw/zinc/51/63/59/427516359.db2.gz IEYXPDOLZWZWAP-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000338884662 427537495 /nfs/dbraw/zinc/53/74/95/427537495.db2.gz YMBXOESNKZODLQ-WFASDCNBSA-N 1 2 312.373 2.562 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC1 ZINC000271446422 427541340 /nfs/dbraw/zinc/54/13/40/427541340.db2.gz NLEBYWJKHOEOQC-UHFFFAOYSA-N 1 2 319.361 2.582 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC1 ZINC000271446422 427541347 /nfs/dbraw/zinc/54/13/47/427541347.db2.gz NLEBYWJKHOEOQC-UHFFFAOYSA-N 1 2 319.361 2.582 20 30 DFEDLO C=CC[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000271462075 427546395 /nfs/dbraw/zinc/54/63/95/427546395.db2.gz PVMRWYALKOFNNM-UHFFFAOYSA-N 1 2 323.322 2.832 20 30 DFEDLO C=CC[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000271462075 427546398 /nfs/dbraw/zinc/54/63/98/427546398.db2.gz PVMRWYALKOFNNM-UHFFFAOYSA-N 1 2 323.322 2.832 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000185243245 427620065 /nfs/dbraw/zinc/62/00/65/427620065.db2.gz ZBIPKJSJWBBROQ-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000185243245 427620072 /nfs/dbraw/zinc/62/00/72/427620072.db2.gz ZBIPKJSJWBBROQ-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cccc(F)c3C#N)cc2[nH+]1 ZINC000338917809 427556822 /nfs/dbraw/zinc/55/68/22/427556822.db2.gz IFTFRDMMAURZBD-UHFFFAOYSA-N 1 2 323.331 2.892 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(C#N)cs3)cc2[nH+]1 ZINC000338917756 427557631 /nfs/dbraw/zinc/55/76/31/427557631.db2.gz HTCZJQPBBGPXTK-UHFFFAOYSA-N 1 2 311.370 2.814 20 30 DFEDLO C=CC[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1CC1 ZINC000271543997 427578817 /nfs/dbraw/zinc/57/88/17/427578817.db2.gz ZJVMTIGHOHOSJG-UHFFFAOYSA-N 1 2 321.384 2.672 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263913541 427608705 /nfs/dbraw/zinc/60/87/05/427608705.db2.gz NEGCWLLBEZZGAV-VXGBXAGGSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263913541 427608711 /nfs/dbraw/zinc/60/87/11/427608711.db2.gz NEGCWLLBEZZGAV-VXGBXAGGSA-N 1 2 316.323 2.679 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017411 427627485 /nfs/dbraw/zinc/62/74/85/427627485.db2.gz LQRNFGOHZPVYDX-CZUORRHYSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017411 427627493 /nfs/dbraw/zinc/62/74/93/427627493.db2.gz LQRNFGOHZPVYDX-CZUORRHYSA-N 1 2 317.820 2.676 20 30 DFEDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000279314962 427637499 /nfs/dbraw/zinc/63/74/99/427637499.db2.gz NMZKUIXIUXYYSH-MRXNPFEDSA-N 1 2 321.808 2.651 20 30 DFEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000279314962 427637507 /nfs/dbraw/zinc/63/75/07/427637507.db2.gz NMZKUIXIUXYYSH-MRXNPFEDSA-N 1 2 321.808 2.651 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(F)c(F)c(F)c2)n1 ZINC000279373539 427653253 /nfs/dbraw/zinc/65/32/53/427653253.db2.gz JIBYVGANMIGFAZ-UHFFFAOYSA-N 1 2 307.319 2.956 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(F)c(F)c(F)c2)n1 ZINC000279373539 427653255 /nfs/dbraw/zinc/65/32/55/427653255.db2.gz JIBYVGANMIGFAZ-UHFFFAOYSA-N 1 2 307.319 2.956 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729719 272047901 /nfs/dbraw/zinc/04/79/01/272047901.db2.gz YFNOVMOZWSBUAB-XPKDYRNWSA-N 1 2 318.804 2.985 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729719 272047903 /nfs/dbraw/zinc/04/79/03/272047903.db2.gz YFNOVMOZWSBUAB-XPKDYRNWSA-N 1 2 318.804 2.985 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(Cl)c2O)n1 ZINC000279492652 427685571 /nfs/dbraw/zinc/68/55/71/427685571.db2.gz YCNZFJBXPHQFNV-UHFFFAOYSA-N 1 2 303.793 2.897 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(Cl)c2O)n1 ZINC000279492652 427685574 /nfs/dbraw/zinc/68/55/74/427685574.db2.gz YCNZFJBXPHQFNV-UHFFFAOYSA-N 1 2 303.793 2.897 20 30 DFEDLO N#Cc1cc2c(nc1NCCc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000298735481 427691701 /nfs/dbraw/zinc/69/17/01/427691701.db2.gz QOILCGITJFNUES-UHFFFAOYSA-N 1 2 303.369 2.973 20 30 DFEDLO Cc1cc(N2CCc3c(C#N)c(N)sc3C2)nc(C(C)C)[nH+]1 ZINC000301101545 427776046 /nfs/dbraw/zinc/77/60/46/427776046.db2.gz RMLZXFFTZKWRIO-UHFFFAOYSA-N 1 2 313.430 2.987 20 30 DFEDLO Cc1cccc([C@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)c1 ZINC000301274424 427785811 /nfs/dbraw/zinc/78/58/11/427785811.db2.gz LGCBSAYSWOTRGV-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000301270943 427786269 /nfs/dbraw/zinc/78/62/69/427786269.db2.gz JYEHSZAZKXJWGA-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980828 427726960 /nfs/dbraw/zinc/72/69/60/427726960.db2.gz ZMSVPQYFDCBTPU-RVKKMQEKSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000279980828 427726961 /nfs/dbraw/zinc/72/69/61/427726961.db2.gz ZMSVPQYFDCBTPU-RVKKMQEKSA-N 1 2 319.832 2.960 20 30 DFEDLO N#Cc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186037512 427742141 /nfs/dbraw/zinc/74/21/41/427742141.db2.gz LHDUCKPHYHIFTB-UHFFFAOYSA-N 1 2 321.384 2.697 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339274127 427747478 /nfs/dbraw/zinc/74/74/78/427747478.db2.gz LDQQHZXXCSPOOT-HOTGVXAUSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339274127 427747481 /nfs/dbraw/zinc/74/74/81/427747481.db2.gz LDQQHZXXCSPOOT-HOTGVXAUSA-N 1 2 323.481 2.664 20 30 DFEDLO C[C@H](NC(=O)c1cc(C#N)ccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000339279770 427749913 /nfs/dbraw/zinc/74/99/13/427749913.db2.gz PQIXQOCKCYPZNG-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336795025 427753013 /nfs/dbraw/zinc/75/30/13/427753013.db2.gz HHTMGZNOLRDKMG-CYBMUJFWSA-N 1 2 309.207 2.666 20 30 DFEDLO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336795025 427753015 /nfs/dbraw/zinc/75/30/15/427753015.db2.gz HHTMGZNOLRDKMG-CYBMUJFWSA-N 1 2 309.207 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336809201 427753403 /nfs/dbraw/zinc/75/34/03/427753403.db2.gz DVECTQLBBQIUMH-GLQYFDAESA-N 1 2 321.218 2.523 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336809201 427753404 /nfs/dbraw/zinc/75/34/04/427753404.db2.gz DVECTQLBBQIUMH-GLQYFDAESA-N 1 2 321.218 2.523 20 30 DFEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301486896 427799644 /nfs/dbraw/zinc/79/96/44/427799644.db2.gz IDMGQRFZLMIRNM-CQSZACIVSA-N 1 2 310.376 2.976 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)C1=O ZINC000337232217 427819255 /nfs/dbraw/zinc/81/92/55/427819255.db2.gz VHUOJVPGQBRNLP-LBPRGKRZSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1=O ZINC000337232217 427819258 /nfs/dbraw/zinc/81/92/58/427819258.db2.gz VHUOJVPGQBRNLP-LBPRGKRZSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCNc1nnc(SCc2cc(OC)cc(C)[nH+]2)s1 ZINC000339740764 427820811 /nfs/dbraw/zinc/82/08/11/427820811.db2.gz KHMZRAGJADHEJI-UHFFFAOYSA-N 1 2 308.432 3.140 20 30 DFEDLO CCCCNC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301756544 427821891 /nfs/dbraw/zinc/82/18/91/427821891.db2.gz DUUPUBPCLCZJTI-HNNXBMFYSA-N 1 2 314.433 2.703 20 30 DFEDLO CCCCNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301756545 427822123 /nfs/dbraw/zinc/82/21/23/427822123.db2.gz DUUPUBPCLCZJTI-OAHLLOKOSA-N 1 2 314.433 2.703 20 30 DFEDLO Cc1cc(N[C@H]2CCN(c3ncccc3F)C2)c(C#N)c(C)[nH+]1 ZINC000301773731 427823116 /nfs/dbraw/zinc/82/31/16/427823116.db2.gz KGNCDEYLEIQFAS-ZDUSSCGKSA-N 1 2 311.364 2.795 20 30 DFEDLO CCCCNC(=O)C1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301773410 427823591 /nfs/dbraw/zinc/82/35/91/427823591.db2.gz KEPSROVIPUFWSG-UHFFFAOYSA-N 1 2 314.433 2.703 20 30 DFEDLO Cc1cc(N2CCC(OC[C@@H]3CCCO3)CC2)c(C#N)c(C)[nH+]1 ZINC000301789270 427824048 /nfs/dbraw/zinc/82/40/48/427824048.db2.gz QASNSDINURCLCI-INIZCTEOSA-N 1 2 315.417 2.735 20 30 DFEDLO N#Cc1cc2c(nc1N1CC[C@H](Oc3cc[nH+]cc3)C1)CCCC2 ZINC000301932177 427844853 /nfs/dbraw/zinc/84/48/53/427844853.db2.gz PCPZONTYSUSESF-KRWDZBQOSA-N 1 2 320.396 2.885 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388007 427879851 /nfs/dbraw/zinc/87/98/51/427879851.db2.gz GBJBDQMPJXNIJI-AEFFLSMTSA-N 1 2 320.383 2.792 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388007 427879857 /nfs/dbraw/zinc/87/98/57/427879857.db2.gz GBJBDQMPJXNIJI-AEFFLSMTSA-N 1 2 320.383 2.792 20 30 DFEDLO N#Cc1cccc(C#N)c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000302905912 427892742 /nfs/dbraw/zinc/89/27/42/427892742.db2.gz WIWZPFRZVMMPDQ-UHFFFAOYSA-N 1 2 323.425 2.599 20 30 DFEDLO N#Cc1cccc(C#N)c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000302905912 427892745 /nfs/dbraw/zinc/89/27/45/427892745.db2.gz WIWZPFRZVMMPDQ-UHFFFAOYSA-N 1 2 323.425 2.599 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)ccc1F ZINC000340209886 427955772 /nfs/dbraw/zinc/95/57/72/427955772.db2.gz KEYRWOUPJXXUTG-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)ccc1F ZINC000340209886 427955773 /nfs/dbraw/zinc/95/57/73/427955773.db2.gz KEYRWOUPJXXUTG-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000359685037 427972805 /nfs/dbraw/zinc/97/28/05/427972805.db2.gz YXYCEZDITAZYOV-SWLSCSKDSA-N 1 2 305.422 2.743 20 30 DFEDLO C=CC[C@@H](C(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369495324 427979714 /nfs/dbraw/zinc/97/97/14/427979714.db2.gz ZCSNUNNKWDOGOQ-DOTOQJQBSA-N 1 2 309.413 2.922 20 30 DFEDLO N#Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n[nH]c1C1CC1 ZINC000359713025 427983796 /nfs/dbraw/zinc/98/37/96/427983796.db2.gz DEMNZERBCANOFV-UHFFFAOYSA-N 1 2 318.340 2.597 20 30 DFEDLO Cc1cc(C#N)cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000376717375 427984820 /nfs/dbraw/zinc/98/48/20/427984820.db2.gz QUNQQFRSEIMEOD-UHFFFAOYSA-N 1 2 307.332 3.199 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000350096739 427933074 /nfs/dbraw/zinc/93/30/74/427933074.db2.gz DYZDYRBFMHATGO-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000350096739 427933077 /nfs/dbraw/zinc/93/30/77/427933077.db2.gz DYZDYRBFMHATGO-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO CC(C)(C#N)Cc1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000350190233 427936718 /nfs/dbraw/zinc/93/67/18/427936718.db2.gz KMOKBXBRXZURPM-AWEZNQCLSA-N 1 2 318.421 2.868 20 30 DFEDLO CC(C)(C#N)Cc1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000350190233 427936726 /nfs/dbraw/zinc/93/67/26/427936726.db2.gz KMOKBXBRXZURPM-AWEZNQCLSA-N 1 2 318.421 2.868 20 30 DFEDLO CCCCCCCCC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000369654260 428025894 /nfs/dbraw/zinc/02/58/94/428025894.db2.gz KYPHIVWCWJMQHQ-INIZCTEOSA-N 1 2 320.481 2.986 20 30 DFEDLO CC(C)(O)C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356131135 428035746 /nfs/dbraw/zinc/03/57/46/428035746.db2.gz SZQZDMASAGGNQM-UHFFFAOYSA-N 1 2 301.415 2.788 20 30 DFEDLO CC(C)(O)C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356131135 428035751 /nfs/dbraw/zinc/03/57/51/428035751.db2.gz SZQZDMASAGGNQM-UHFFFAOYSA-N 1 2 301.415 2.788 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000359757923 428007163 /nfs/dbraw/zinc/00/71/63/428007163.db2.gz ORFMMJODWWEJBV-UHFFFAOYSA-N 1 2 310.401 2.991 20 30 DFEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356279123 428102928 /nfs/dbraw/zinc/10/29/28/428102928.db2.gz KLMIVUCRTBCDNF-VIFPVBQESA-N 1 2 300.280 2.570 20 30 DFEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356279123 428102931 /nfs/dbraw/zinc/10/29/31/428102931.db2.gz KLMIVUCRTBCDNF-VIFPVBQESA-N 1 2 300.280 2.570 20 30 DFEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)n1 ZINC000356325067 428124313 /nfs/dbraw/zinc/12/43/13/428124313.db2.gz VZCHRKQEYOKHCL-UHFFFAOYSA-N 1 2 313.426 2.789 20 30 DFEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)n1 ZINC000356325067 428124316 /nfs/dbraw/zinc/12/43/16/428124316.db2.gz VZCHRKQEYOKHCL-UHFFFAOYSA-N 1 2 313.426 2.789 20 30 DFEDLO CCOC(=O)C(C)(C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356322043 428125638 /nfs/dbraw/zinc/12/56/38/428125638.db2.gz QLDYIQJUXSRZOI-UHFFFAOYSA-N 1 2 321.446 2.816 20 30 DFEDLO C#CCCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000370187161 428152513 /nfs/dbraw/zinc/15/25/13/428152513.db2.gz WDQMPOCCHDKOSM-UHFFFAOYSA-N 1 2 314.429 2.926 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000370214496 428160670 /nfs/dbraw/zinc/16/06/70/428160670.db2.gz GMINJSOYFVCKSA-UHFFFAOYSA-N 1 2 321.446 2.676 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000370214496 428160674 /nfs/dbraw/zinc/16/06/74/428160674.db2.gz GMINJSOYFVCKSA-UHFFFAOYSA-N 1 2 321.446 2.676 20 30 DFEDLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000360142986 428177376 /nfs/dbraw/zinc/17/73/76/428177376.db2.gz YYHZEJVQGVSSQK-IRXDYDNUSA-N 1 2 300.402 2.889 20 30 DFEDLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000360142986 428177381 /nfs/dbraw/zinc/17/73/81/428177381.db2.gz YYHZEJVQGVSSQK-IRXDYDNUSA-N 1 2 300.402 2.889 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000356469514 428192746 /nfs/dbraw/zinc/19/27/46/428192746.db2.gz DZTZURWXLOXJNS-OAHLLOKOSA-N 1 2 301.434 2.689 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000356469514 428192750 /nfs/dbraw/zinc/19/27/50/428192750.db2.gz DZTZURWXLOXJNS-OAHLLOKOSA-N 1 2 301.434 2.689 20 30 DFEDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352822051 428265628 /nfs/dbraw/zinc/26/56/28/428265628.db2.gz IZIRHYPXONTNFV-JTQLQIEISA-N 1 2 303.387 2.883 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000356664638 428266643 /nfs/dbraw/zinc/26/66/43/428266643.db2.gz GGJUREUUAHILKL-UHFFFAOYSA-N 1 2 319.371 2.659 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000356664638 428266649 /nfs/dbraw/zinc/26/66/49/428266649.db2.gz GGJUREUUAHILKL-UHFFFAOYSA-N 1 2 319.371 2.659 20 30 DFEDLO C[C@@H](C[NH2+]Cc1nc(C#N)cs1)N(C)Cc1ccccc1 ZINC000352838456 428274902 /nfs/dbraw/zinc/27/49/02/428274902.db2.gz FOGZMLZALCOEPG-ZDUSSCGKSA-N 1 2 300.431 2.625 20 30 DFEDLO C=CC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000360476648 428312227 /nfs/dbraw/zinc/31/22/27/428312227.db2.gz BXNVNVCQXUJIKE-UHFFFAOYSA-N 1 2 310.401 2.980 20 30 DFEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000371451065 428392547 /nfs/dbraw/zinc/39/25/47/428392547.db2.gz QCXBWPXJEVMVIB-UHFFFAOYSA-N 1 2 317.433 2.519 20 30 DFEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000371451065 428392554 /nfs/dbraw/zinc/39/25/54/428392554.db2.gz QCXBWPXJEVMVIB-UHFFFAOYSA-N 1 2 317.433 2.519 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371471025 428392741 /nfs/dbraw/zinc/39/27/41/428392741.db2.gz QGUREZBFXBKZAB-SUMWQHHRSA-N 1 2 309.394 2.594 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccsc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371471025 428392743 /nfs/dbraw/zinc/39/27/43/428392743.db2.gz QGUREZBFXBKZAB-SUMWQHHRSA-N 1 2 309.394 2.594 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H]2CCCCO2)c1C ZINC000342641333 428437557 /nfs/dbraw/zinc/43/75/57/428437557.db2.gz YDPAUFAAGDYHBC-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c1C ZINC000342641333 428437564 /nfs/dbraw/zinc/43/75/64/428437564.db2.gz YDPAUFAAGDYHBC-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCCOCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342676542 428438751 /nfs/dbraw/zinc/43/87/51/428438751.db2.gz KZKUCUAXYWKQFB-QGZVFWFLSA-N 1 2 303.381 2.831 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347106344 428447753 /nfs/dbraw/zinc/44/77/53/428447753.db2.gz LPLXUQCSUHCXBK-RISCZKNCSA-N 1 2 323.799 2.719 20 30 DFEDLO COc1cc(NCc2ccc(C#N)s2)[nH+]cc1Br ZINC000342820000 428464712 /nfs/dbraw/zinc/46/47/12/428464712.db2.gz FWMFBDHQVRYKQO-UHFFFAOYSA-N 1 2 324.203 3.398 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)C[C@@H](C)C#N ZINC000353284851 428468709 /nfs/dbraw/zinc/46/87/09/428468709.db2.gz GWGBCVKKIWSFED-LSDHHAIUSA-N 1 2 317.433 2.696 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)C[C@@H](C)C#N ZINC000353284851 428468713 /nfs/dbraw/zinc/46/87/13/428468713.db2.gz GWGBCVKKIWSFED-LSDHHAIUSA-N 1 2 317.433 2.696 20 30 DFEDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000372124019 428417327 /nfs/dbraw/zinc/41/73/27/428417327.db2.gz HQMAZGNJXKGFKD-YJBOKZPZSA-N 1 2 318.417 2.603 20 30 DFEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000372124019 428417332 /nfs/dbraw/zinc/41/73/32/428417332.db2.gz HQMAZGNJXKGFKD-YJBOKZPZSA-N 1 2 318.417 2.603 20 30 DFEDLO CCc1cc(N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2[nH+]1 ZINC000372727918 428496428 /nfs/dbraw/zinc/49/64/28/428496428.db2.gz QEKHXECKKORMFQ-MRXNPFEDSA-N 1 2 306.413 2.974 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnccc1OC ZINC000347222028 428498589 /nfs/dbraw/zinc/49/85/89/428498589.db2.gz WBFVXQMHFRAATQ-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnccc1OC ZINC000347222028 428498596 /nfs/dbraw/zinc/49/85/96/428498596.db2.gz WBFVXQMHFRAATQ-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO CC1(C)CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C#N ZINC000373083238 428516750 /nfs/dbraw/zinc/51/67/50/428516750.db2.gz FTVGVFQXQOBRTP-HNNXBMFYSA-N 1 2 317.458 2.647 20 30 DFEDLO CC1(C)CCCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C#N ZINC000373083238 428516758 /nfs/dbraw/zinc/51/67/58/428516758.db2.gz FTVGVFQXQOBRTP-HNNXBMFYSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676180 428523495 /nfs/dbraw/zinc/52/34/95/428523495.db2.gz VIBQVKYITZMBQS-NWDGAFQWSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676180 428523501 /nfs/dbraw/zinc/52/35/01/428523501.db2.gz VIBQVKYITZMBQS-NWDGAFQWSA-N 1 2 323.234 2.771 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000343148386 428524292 /nfs/dbraw/zinc/52/42/92/428524292.db2.gz LUFFNKUZFAHDDT-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000343148386 428524299 /nfs/dbraw/zinc/52/42/99/428524299.db2.gz LUFFNKUZFAHDDT-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)ccc2[nH+]1 ZINC000343864652 428586202 /nfs/dbraw/zinc/58/62/02/428586202.db2.gz FYZSOEMAWCKYRU-ZDUSSCGKSA-N 1 2 320.352 2.920 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC000361110845 428538417 /nfs/dbraw/zinc/53/84/17/428538417.db2.gz IBGUXMJNTXISOV-SWLSCSKDSA-N 1 2 311.809 2.605 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)C(=O)OC ZINC000361108207 428538917 /nfs/dbraw/zinc/53/89/17/428538917.db2.gz JUTIAYGPQWNZGA-JENIJYKNSA-N 1 2 317.429 2.831 20 30 DFEDLO COc1ccc(Cl)cc1C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343256941 428540366 /nfs/dbraw/zinc/54/03/66/428540366.db2.gz DYVCOOKWUHFGFM-UHFFFAOYSA-N 1 2 319.836 2.770 20 30 DFEDLO Cc1cccn2cc(CNc3ncc(Cl)c(C)c3C#N)[nH+]c12 ZINC000343500071 428552164 /nfs/dbraw/zinc/55/21/64/428552164.db2.gz BEVVDYWTGVOZJF-UHFFFAOYSA-N 1 2 311.776 3.483 20 30 DFEDLO CC[N@H+](CC(=O)N1CC(C)(C#N)C1)Cc1ccccc1Cl ZINC000357668045 428554447 /nfs/dbraw/zinc/55/44/47/428554447.db2.gz AUKWIJTXVJNKGV-UHFFFAOYSA-N 1 2 305.809 2.534 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC(C)(C#N)C1)Cc1ccccc1Cl ZINC000357668045 428554464 /nfs/dbraw/zinc/55/44/64/428554464.db2.gz AUKWIJTXVJNKGV-UHFFFAOYSA-N 1 2 305.809 2.534 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCCCN1CCOC[C@@H]1C#N ZINC000361323707 428556512 /nfs/dbraw/zinc/55/65/12/428556512.db2.gz IIUUQEVRXJHIFN-INIZCTEOSA-N 1 2 312.417 2.739 20 30 DFEDLO Cc1c(Cl)cnc(NCCc2[nH]c3ccccc3[nH+]2)c1C#N ZINC000343524890 428557059 /nfs/dbraw/zinc/55/70/59/428557059.db2.gz ZUTSPVRYVAVKFS-UHFFFAOYSA-N 1 2 311.776 3.446 20 30 DFEDLO N#C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000361391852 428561992 /nfs/dbraw/zinc/56/19/92/428561992.db2.gz TUGDFQNFPXEJPT-OAHLLOKOSA-N 1 2 317.458 2.695 20 30 DFEDLO N#C[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000361391852 428561996 /nfs/dbraw/zinc/56/19/96/428561996.db2.gz TUGDFQNFPXEJPT-OAHLLOKOSA-N 1 2 317.458 2.695 20 30 DFEDLO N#CCC[C@@H](C#N)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357801299 428563847 /nfs/dbraw/zinc/56/38/47/428563847.db2.gz JNQKHADCDNZZIW-AWEZNQCLSA-N 1 2 323.375 2.813 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(Cl)c1 ZINC000361408809 428565647 /nfs/dbraw/zinc/56/56/47/428565647.db2.gz QILJWCATQVNWKS-GFCCVEGCSA-N 1 2 300.736 2.661 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(Cl)c1 ZINC000361408809 428565652 /nfs/dbraw/zinc/56/56/52/428565652.db2.gz QILJWCATQVNWKS-GFCCVEGCSA-N 1 2 300.736 2.661 20 30 DFEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000373431302 428574294 /nfs/dbraw/zinc/57/42/94/428574294.db2.gz KXNRTPYLUYXWIH-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000373431302 428574298 /nfs/dbraw/zinc/57/42/98/428574298.db2.gz KXNRTPYLUYXWIH-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000361940263 428605474 /nfs/dbraw/zinc/60/54/74/428605474.db2.gz AZZPZJMHCDMHOQ-AWEZNQCLSA-N 1 2 320.458 2.872 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000361940263 428605477 /nfs/dbraw/zinc/60/54/77/428605477.db2.gz AZZPZJMHCDMHOQ-AWEZNQCLSA-N 1 2 320.458 2.872 20 30 DFEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Nc1ccc(CC#N)cc1 ZINC000373570635 428608315 /nfs/dbraw/zinc/60/83/15/428608315.db2.gz ZCYFYXIIXCYPSV-OAHLLOKOSA-N 1 2 323.400 2.675 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347622092 428621234 /nfs/dbraw/zinc/62/12/34/428621234.db2.gz FMHLOMFSOIEYGR-MSOLQXFVSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347622092 428621237 /nfs/dbraw/zinc/62/12/37/428621237.db2.gz FMHLOMFSOIEYGR-MSOLQXFVSA-N 1 2 316.445 2.573 20 30 DFEDLO CC(C)n1ccnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344061649 428622104 /nfs/dbraw/zinc/62/21/04/428622104.db2.gz AQHDXRIYZRSNQU-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO CC(C)n1ccnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344061649 428622110 /nfs/dbraw/zinc/62/21/10/428622110.db2.gz AQHDXRIYZRSNQU-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000353682112 428658389 /nfs/dbraw/zinc/65/83/89/428658389.db2.gz XMEWIOLBWMMMPM-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374340966 428673384 /nfs/dbraw/zinc/67/33/84/428673384.db2.gz MQKZUPUFTRULNB-AWEZNQCLSA-N 1 2 311.385 2.615 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374638617 428719102 /nfs/dbraw/zinc/71/91/02/428719102.db2.gz VHXQCEDIWUWSRC-QAPCUYQASA-N 1 2 317.408 2.565 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374638617 428719105 /nfs/dbraw/zinc/71/91/05/428719105.db2.gz VHXQCEDIWUWSRC-QAPCUYQASA-N 1 2 317.408 2.565 20 30 DFEDLO Cn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000348364147 428720159 /nfs/dbraw/zinc/72/01/59/428720159.db2.gz FNBZDCGXUPWQHT-UHFFFAOYSA-N 1 2 306.316 2.525 20 30 DFEDLO Cn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000348364147 428720163 /nfs/dbraw/zinc/72/01/63/428720163.db2.gz FNBZDCGXUPWQHT-UHFFFAOYSA-N 1 2 306.316 2.525 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802083 428723253 /nfs/dbraw/zinc/72/32/53/428723253.db2.gz HJQOXKIEDVFEKW-GTQRCTGISA-N 1 2 320.458 2.710 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802083 428723259 /nfs/dbraw/zinc/72/32/59/428723259.db2.gz HJQOXKIEDVFEKW-GTQRCTGISA-N 1 2 320.458 2.710 20 30 DFEDLO C=C(CC)CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000411066536 428732873 /nfs/dbraw/zinc/73/28/73/428732873.db2.gz AZSLRDQRPDQKIQ-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=C(CC)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000411066536 428732876 /nfs/dbraw/zinc/73/28/76/428732876.db2.gz AZSLRDQRPDQKIQ-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C[C@H](CCC#N)[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000411316135 428776508 /nfs/dbraw/zinc/77/65/08/428776508.db2.gz KSCLVWJZAACICJ-CYBMUJFWSA-N 1 2 305.809 2.676 20 30 DFEDLO C[C@H](CCC#N)[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000411316135 428776509 /nfs/dbraw/zinc/77/65/09/428776509.db2.gz KSCLVWJZAACICJ-CYBMUJFWSA-N 1 2 305.809 2.676 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000348549572 428782665 /nfs/dbraw/zinc/78/26/65/428782665.db2.gz RWVZZVOCTCRORV-XXHMAFKTSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000348549572 428782669 /nfs/dbraw/zinc/78/26/69/428782669.db2.gz RWVZZVOCTCRORV-XXHMAFKTSA-N 1 2 307.459 2.983 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCC#Cc3ccccc3)cc2n1C ZINC000353851961 428748470 /nfs/dbraw/zinc/74/84/70/428748470.db2.gz NIOKCOKBDWOFMD-UHFFFAOYSA-N 1 2 303.365 2.663 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnn2ccccc12 ZINC000348631368 428799995 /nfs/dbraw/zinc/79/99/95/428799995.db2.gz CRPUMQJFXWNLAG-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnn2ccccc12 ZINC000348631368 428800001 /nfs/dbraw/zinc/80/00/01/428800001.db2.gz CRPUMQJFXWNLAG-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000362971902 428828823 /nfs/dbraw/zinc/82/88/23/428828823.db2.gz FSMLHWUWIBRWHD-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO CC1(c2cc(N3CC[NH+](Cc4ccccc4C#N)CC3)n[nH]2)CC1 ZINC000375393165 428873482 /nfs/dbraw/zinc/87/34/82/428873482.db2.gz MYVCYOJVQBWBQA-UHFFFAOYSA-N 1 2 321.428 2.655 20 30 DFEDLO CN(C(=O)C1(C#N)CCCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363203810 428881295 /nfs/dbraw/zinc/88/12/95/428881295.db2.gz RMQAYXNIRCIEIS-UHFFFAOYSA-N 1 2 312.417 2.593 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363285156 428898107 /nfs/dbraw/zinc/89/81/07/428898107.db2.gz DOQQKFQMNSXKII-MOPGFXCFSA-N 1 2 323.440 2.959 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363285156 428898114 /nfs/dbraw/zinc/89/81/14/428898114.db2.gz DOQQKFQMNSXKII-MOPGFXCFSA-N 1 2 323.440 2.959 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974734 428898241 /nfs/dbraw/zinc/89/82/41/428898241.db2.gz APIVMEAVHSKROR-KDOFPFPSSA-N 1 2 309.369 2.540 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974734 428898245 /nfs/dbraw/zinc/89/82/45/428898245.db2.gz APIVMEAVHSKROR-KDOFPFPSSA-N 1 2 309.369 2.540 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(F)(C#N)CC2)c1 ZINC000359348770 428931575 /nfs/dbraw/zinc/93/15/75/428931575.db2.gz KHOQAOGXEZOOMW-UHFFFAOYSA-N 1 2 312.348 2.649 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(C#N)CCC1 ZINC000419632231 428937350 /nfs/dbraw/zinc/93/73/50/428937350.db2.gz XBLQKQUMILGTET-UHFFFAOYSA-N 1 2 317.437 2.561 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000349249349 428948574 /nfs/dbraw/zinc/94/85/74/428948574.db2.gz WWHBUZPSKVRBNY-VHSXEESVSA-N 1 2 318.764 2.877 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920799 429017343 /nfs/dbraw/zinc/01/73/43/429017343.db2.gz ONUSQUVCMSEYFF-XNJGSVPQSA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920799 429017346 /nfs/dbraw/zinc/01/73/46/429017346.db2.gz ONUSQUVCMSEYFF-XNJGSVPQSA-N 1 2 320.820 2.980 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000354943149 429020597 /nfs/dbraw/zinc/02/05/97/429020597.db2.gz OBJZMEQBZHNXFE-DVOMOZLQSA-N 1 2 323.437 2.717 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000354943149 429020602 /nfs/dbraw/zinc/02/06/02/429020602.db2.gz OBJZMEQBZHNXFE-DVOMOZLQSA-N 1 2 323.437 2.717 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1cc(C#N)ccc1Cl)C2 ZINC000375800948 428980115 /nfs/dbraw/zinc/98/01/15/428980115.db2.gz GBPWAODHHBKZIK-UHFFFAOYSA-N 1 2 314.776 2.681 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000421318080 428987341 /nfs/dbraw/zinc/98/73/41/428987341.db2.gz BSVMANCBXILBLS-KRWDZBQOSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000421318080 428987348 /nfs/dbraw/zinc/98/73/48/428987348.db2.gz BSVMANCBXILBLS-KRWDZBQOSA-N 1 2 305.443 2.739 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843697 428993528 /nfs/dbraw/zinc/99/35/28/428993528.db2.gz GQPRTHAOPWKIEI-UKRRQHHQSA-N 1 2 313.401 2.758 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451843697 428993535 /nfs/dbraw/zinc/99/35/35/428993535.db2.gz GQPRTHAOPWKIEI-UKRRQHHQSA-N 1 2 313.401 2.758 20 30 DFEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000452039443 429043142 /nfs/dbraw/zinc/04/31/42/429043142.db2.gz OJRWPSPPNQGQQN-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000452039443 429043145 /nfs/dbraw/zinc/04/31/45/429043145.db2.gz OJRWPSPPNQGQQN-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2CC)cc1Cl ZINC000355576887 429054808 /nfs/dbraw/zinc/05/48/08/429054808.db2.gz AGJOFFBULIXYMZ-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nn1 ZINC000424174799 429103804 /nfs/dbraw/zinc/10/38/04/429103804.db2.gz SHFMCVGDNMUZPR-UHFFFAOYSA-N 1 2 315.377 2.786 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2nc3ccccc3n2CCC)nn1 ZINC000424175237 429104293 /nfs/dbraw/zinc/10/42/93/429104293.db2.gz TXNTUEHRXBIHLG-UHFFFAOYSA-N 1 2 310.405 2.514 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)nn1 ZINC000424175550 429104733 /nfs/dbraw/zinc/10/47/33/429104733.db2.gz VDIDZDZFAFKASS-UHFFFAOYSA-N 1 2 314.286 2.912 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000424201362 429109373 /nfs/dbraw/zinc/10/93/73/429109373.db2.gz OHDAQPVKMQYJAK-LLVKDONJSA-N 1 2 315.398 2.961 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)c2ncc(C#N)cc2F)c1C ZINC000413092507 429134871 /nfs/dbraw/zinc/13/48/71/429134871.db2.gz LNSYXUCGZTYMJH-UHFFFAOYSA-N 1 2 300.337 2.749 20 30 DFEDLO Cc1cc(N[C@H]2CC(C)(C)Oc3ccc(N)cc32)c(C#N)c[nH+]1 ZINC000424414210 429138008 /nfs/dbraw/zinc/13/80/08/429138008.db2.gz QHSJMNAZZFEANS-INIZCTEOSA-N 1 2 308.385 2.980 20 30 DFEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000454170910 429160445 /nfs/dbraw/zinc/16/04/45/429160445.db2.gz YDOWCCYNCBQBDP-UHFFFAOYSA-N 1 2 310.401 2.530 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000454336081 429165000 /nfs/dbraw/zinc/16/50/00/429165000.db2.gz XXOUWFNMXXVMEZ-UHFFFAOYSA-N 1 2 304.438 2.939 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCC(C)(C)CCC#N)CC1(C)C ZINC000454958595 429177024 /nfs/dbraw/zinc/17/70/24/429177024.db2.gz LLTAOYRAPNKMPC-CYBMUJFWSA-N 1 2 317.437 2.843 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000454979708 429177616 /nfs/dbraw/zinc/17/76/16/429177616.db2.gz QNBZFTCQPZNVHJ-CQSZACIVSA-N 1 2 324.384 2.743 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000488570844 429185540 /nfs/dbraw/zinc/18/55/40/429185540.db2.gz WBYAENXVRYVLEC-UHFFFAOYSA-N 1 2 314.776 2.905 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000424793827 429192023 /nfs/dbraw/zinc/19/20/23/429192023.db2.gz NZWCDEPWBDFOQL-AWEZNQCLSA-N 1 2 317.433 2.730 20 30 DFEDLO C=C(CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000488907490 429206964 /nfs/dbraw/zinc/20/69/64/429206964.db2.gz FQQASECQKSPAOP-ZWKOTPCHSA-N 1 2 316.445 2.705 20 30 DFEDLO C=C(CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000488907490 429206968 /nfs/dbraw/zinc/20/69/68/429206968.db2.gz FQQASECQKSPAOP-ZWKOTPCHSA-N 1 2 316.445 2.705 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000364617620 429234909 /nfs/dbraw/zinc/23/49/09/429234909.db2.gz LXZMLACDFFXXSU-MRXNPFEDSA-N 1 2 319.430 2.593 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000364617620 429234910 /nfs/dbraw/zinc/23/49/10/429234910.db2.gz LXZMLACDFFXXSU-MRXNPFEDSA-N 1 2 319.430 2.593 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364617619 429235247 /nfs/dbraw/zinc/23/52/47/429235247.db2.gz LXZMLACDFFXXSU-INIZCTEOSA-N 1 2 319.430 2.593 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364617619 429235250 /nfs/dbraw/zinc/23/52/50/429235250.db2.gz LXZMLACDFFXXSU-INIZCTEOSA-N 1 2 319.430 2.593 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425115526 429235396 /nfs/dbraw/zinc/23/53/96/429235396.db2.gz UHOXAGVGTBXFJO-IUODEOHRSA-N 1 2 308.385 2.921 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425115528 429235548 /nfs/dbraw/zinc/23/55/48/429235548.db2.gz UHOXAGVGTBXFJO-WFASDCNBSA-N 1 2 308.385 2.921 20 30 DFEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000442888116 429241666 /nfs/dbraw/zinc/24/16/66/429241666.db2.gz DVUQMLCTACXLRW-LBPRGKRZSA-N 1 2 304.390 2.729 20 30 DFEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000442888116 429241669 /nfs/dbraw/zinc/24/16/69/429241669.db2.gz DVUQMLCTACXLRW-LBPRGKRZSA-N 1 2 304.390 2.729 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000489475530 429244343 /nfs/dbraw/zinc/24/43/43/429244343.db2.gz HCKVFHDOKWYRDZ-HNNXBMFYSA-N 1 2 316.401 2.761 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000489475530 429244347 /nfs/dbraw/zinc/24/43/47/429244347.db2.gz HCKVFHDOKWYRDZ-HNNXBMFYSA-N 1 2 316.401 2.761 20 30 DFEDLO Cc1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425218973 429246076 /nfs/dbraw/zinc/24/60/76/429246076.db2.gz ZVSASZXKFLTDTK-AWEZNQCLSA-N 1 2 310.376 2.761 20 30 DFEDLO COc1cccc(N2CC[C@H](CNc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425218905 429247385 /nfs/dbraw/zinc/24/73/85/429247385.db2.gz AHXPZSGVYVYDAR-OAHLLOKOSA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000425237580 429249675 /nfs/dbraw/zinc/24/96/75/429249675.db2.gz LNMXLVOATQZLAQ-WFASDCNBSA-N 1 2 311.345 2.750 20 30 DFEDLO C[C@@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000425237578 429249878 /nfs/dbraw/zinc/24/98/78/429249878.db2.gz LNMXLVOATQZLAQ-IUODEOHRSA-N 1 2 311.345 2.750 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443659370 429256754 /nfs/dbraw/zinc/25/67/54/429256754.db2.gz WOEIYRGFLZLWNT-UONOGXRCSA-N 1 2 322.836 2.874 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443659370 429256756 /nfs/dbraw/zinc/25/67/56/429256756.db2.gz WOEIYRGFLZLWNT-UONOGXRCSA-N 1 2 322.836 2.874 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000425325942 429263540 /nfs/dbraw/zinc/26/35/40/429263540.db2.gz OYTMKWXRROAPGU-GOSISDBHSA-N 1 2 323.444 2.674 20 30 DFEDLO N#CCCCn1cc(C(=O)NCc2c[nH+]c[nH]2)c2ccccc21 ZINC000444249936 429266944 /nfs/dbraw/zinc/26/69/44/429266944.db2.gz RPVHFSRAZRWSFE-UHFFFAOYSA-N 1 2 307.357 2.598 20 30 DFEDLO N#CCCCn1cc(C(=O)NCc2c[nH]c[nH+]2)c2ccccc21 ZINC000444249936 429266947 /nfs/dbraw/zinc/26/69/47/429266947.db2.gz RPVHFSRAZRWSFE-UHFFFAOYSA-N 1 2 307.357 2.598 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444694350 429274408 /nfs/dbraw/zinc/27/44/08/429274408.db2.gz CIUUAZYWAAZFGI-LLVKDONJSA-N 1 2 323.799 2.862 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444694350 429274413 /nfs/dbraw/zinc/27/44/13/429274413.db2.gz CIUUAZYWAAZFGI-LLVKDONJSA-N 1 2 323.799 2.862 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692568 429275093 /nfs/dbraw/zinc/27/50/93/429275093.db2.gz CBFODEAJLGFYOG-SJKOYZFVSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692568 429275097 /nfs/dbraw/zinc/27/50/97/429275097.db2.gz CBFODEAJLGFYOG-SJKOYZFVSA-N 1 2 323.387 2.840 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444775674 429277373 /nfs/dbraw/zinc/27/73/73/429277373.db2.gz AOPGNBDZUZCGFR-SFHVURJKSA-N 1 2 324.465 2.609 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444775674 429277377 /nfs/dbraw/zinc/27/73/77/429277377.db2.gz AOPGNBDZUZCGFR-SFHVURJKSA-N 1 2 324.465 2.609 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425361078 429278525 /nfs/dbraw/zinc/27/85/25/429278525.db2.gz XELLTNFORBWVDA-CJNGLKHVSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000425361078 429278528 /nfs/dbraw/zinc/27/85/28/429278528.db2.gz XELLTNFORBWVDA-CJNGLKHVSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@H](c1cccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000448907840 429320287 /nfs/dbraw/zinc/32/02/87/429320287.db2.gz HPNILHYSINIBRI-HBUWYVDXSA-N 1 2 313.401 2.568 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000448901626 429320354 /nfs/dbraw/zinc/32/03/54/429320354.db2.gz WWYFBCVBYANRLO-HBUWYVDXSA-N 1 2 315.392 2.581 20 30 DFEDLO C[C@H](c1cccc(NC(=O)[C@]2(C#N)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000448907842 429320395 /nfs/dbraw/zinc/32/03/95/429320395.db2.gz HPNILHYSINIBRI-LBTNJELSSA-N 1 2 313.401 2.568 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(COCC)c1c(C)cccc1CC ZINC000491043495 429321446 /nfs/dbraw/zinc/32/14/46/429321446.db2.gz CKKHLYLUJFFJFB-INIZCTEOSA-N 1 2 316.445 2.838 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(COCC)c1c(C)cccc1CC ZINC000491043495 429321451 /nfs/dbraw/zinc/32/14/51/429321451.db2.gz CKKHLYLUJFFJFB-INIZCTEOSA-N 1 2 316.445 2.838 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020431 429324091 /nfs/dbraw/zinc/32/40/91/429324091.db2.gz ZEQAGTAQITVTNX-UONOGXRCSA-N 1 2 308.447 2.675 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020431 429324095 /nfs/dbraw/zinc/32/40/95/429324095.db2.gz ZEQAGTAQITVTNX-UONOGXRCSA-N 1 2 308.447 2.675 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000491179475 429330673 /nfs/dbraw/zinc/33/06/73/429330673.db2.gz FUQGLTZRXBXFSH-UHFFFAOYSA-N 1 2 323.352 2.669 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000491179475 429330676 /nfs/dbraw/zinc/33/06/76/429330676.db2.gz FUQGLTZRXBXFSH-UHFFFAOYSA-N 1 2 323.352 2.669 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000491231301 429337891 /nfs/dbraw/zinc/33/78/91/429337891.db2.gz SAIUITMLTJLMSW-MRXNPFEDSA-N 1 2 314.433 2.673 20 30 DFEDLO C#C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Cl)cc1 ZINC000491275379 429342953 /nfs/dbraw/zinc/34/29/53/429342953.db2.gz DJMTVVNGFBTZNL-HNNXBMFYSA-N 1 2 300.793 2.660 20 30 DFEDLO N#CCc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000456761167 429345901 /nfs/dbraw/zinc/34/59/01/429345901.db2.gz XRJWHIKSBNXNLI-UHFFFAOYSA-N 1 2 307.344 2.668 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@H](C)O1 ZINC000446066710 429296926 /nfs/dbraw/zinc/29/69/26/429296926.db2.gz CDYFXKHFNDTYBJ-AGIUHOORSA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@H](C)O1 ZINC000446066710 429296931 /nfs/dbraw/zinc/29/69/31/429296931.db2.gz CDYFXKHFNDTYBJ-AGIUHOORSA-N 1 2 312.373 2.606 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(F)c(C#N)c1 ZINC000447838001 429307468 /nfs/dbraw/zinc/30/74/68/429307468.db2.gz YJISPHKUIMYYOL-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(F)c(C#N)c1 ZINC000447838001 429307476 /nfs/dbraw/zinc/30/74/76/429307476.db2.gz YJISPHKUIMYYOL-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496495397 429314012 /nfs/dbraw/zinc/31/40/12/429314012.db2.gz UAYJQQICJCCIJG-CQSZACIVSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000496495397 429314016 /nfs/dbraw/zinc/31/40/16/429314016.db2.gz UAYJQQICJCCIJG-CQSZACIVSA-N 1 2 319.380 2.798 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000491713479 429395518 /nfs/dbraw/zinc/39/55/18/429395518.db2.gz CSSVHQBNLXBAHB-QGZVFWFLSA-N 1 2 317.385 2.693 20 30 DFEDLO C#CCN(C)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000491728249 429397260 /nfs/dbraw/zinc/39/72/60/429397260.db2.gz CVJIHBQHJZAKPV-UHFFFAOYSA-N 1 2 310.401 2.708 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000491740182 429400142 /nfs/dbraw/zinc/40/01/42/429400142.db2.gz QSOPLZXVAYPUHQ-MRXNPFEDSA-N 1 2 322.412 2.598 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000491740182 429400144 /nfs/dbraw/zinc/40/01/44/429400144.db2.gz QSOPLZXVAYPUHQ-MRXNPFEDSA-N 1 2 322.412 2.598 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766437 429404793 /nfs/dbraw/zinc/40/47/93/429404793.db2.gz HAFWIVKMLJCEDF-TZMCWYRMSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766437 429404797 /nfs/dbraw/zinc/40/47/97/429404797.db2.gz HAFWIVKMLJCEDF-TZMCWYRMSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491773102 429406090 /nfs/dbraw/zinc/40/60/90/429406090.db2.gz BQYVYNHYHSYAHW-GJZGRUSLSA-N 1 2 315.417 2.565 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491774309 429406521 /nfs/dbraw/zinc/40/65/21/429406521.db2.gz CLFGFWZEKNRPND-HOTGVXAUSA-N 1 2 310.401 2.611 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000365946654 429406568 /nfs/dbraw/zinc/40/65/68/429406568.db2.gz FIHTUDQGWHQMMH-ARFHVFGLSA-N 1 2 317.433 2.556 20 30 DFEDLO C=C(CC)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456829147 429353681 /nfs/dbraw/zinc/35/36/81/429353681.db2.gz NGHKKANSXJYUJR-MRXNPFEDSA-N 1 2 304.459 2.859 20 30 DFEDLO C#CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000491538606 429372716 /nfs/dbraw/zinc/37/27/16/429372716.db2.gz ZZTBVWMBOAUYJL-UHFFFAOYSA-N 1 2 310.353 2.726 20 30 DFEDLO C#CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000491538606 429372721 /nfs/dbraw/zinc/37/27/21/429372721.db2.gz ZZTBVWMBOAUYJL-UHFFFAOYSA-N 1 2 310.353 2.726 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000366065439 429410574 /nfs/dbraw/zinc/41/05/74/429410574.db2.gz DUWBHMDIGXCRJG-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000366065439 429410580 /nfs/dbraw/zinc/41/05/80/429410580.db2.gz DUWBHMDIGXCRJG-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1ccc(C#N)c(F)c1 ZINC000517390744 429388428 /nfs/dbraw/zinc/38/84/28/429388428.db2.gz KRBHDXNFVIXSJR-UHFFFAOYSA-N 1 2 312.348 3.294 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000491670320 429388504 /nfs/dbraw/zinc/38/85/04/429388504.db2.gz LXJUROKLCWHTHX-HUUCEWRRSA-N 1 2 314.433 2.520 20 30 DFEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000366275699 429446243 /nfs/dbraw/zinc/44/62/43/429446243.db2.gz YUTCKVXNYFSYMN-CVEARBPZSA-N 1 2 312.373 2.510 20 30 DFEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000366275699 429446247 /nfs/dbraw/zinc/44/62/47/429446247.db2.gz YUTCKVXNYFSYMN-CVEARBPZSA-N 1 2 312.373 2.510 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC000449573200 429452208 /nfs/dbraw/zinc/45/22/08/429452208.db2.gz REPXISLXWZQYGN-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC000449573200 429452210 /nfs/dbraw/zinc/45/22/10/429452210.db2.gz REPXISLXWZQYGN-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000449573201 429452876 /nfs/dbraw/zinc/45/28/76/429452876.db2.gz REPXISLXWZQYGN-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000449573201 429452880 /nfs/dbraw/zinc/45/28/80/429452880.db2.gz REPXISLXWZQYGN-OAQYLSRUSA-N 1 2 307.459 2.984 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)CC#N)cc1OCC ZINC000519420528 429457812 /nfs/dbraw/zinc/45/78/12/429457812.db2.gz IGWIPVCVTMYVSH-CYBMUJFWSA-N 1 2 319.405 2.704 20 30 DFEDLO C=CCC[C@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OCC ZINC000449657131 429471073 /nfs/dbraw/zinc/47/10/73/429471073.db2.gz NTNWIRSKQJNPAH-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366507571 429467259 /nfs/dbraw/zinc/46/72/59/429467259.db2.gz URLNGRXQHWFLSK-OAHLLOKOSA-N 1 2 316.792 2.885 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366105738 429418577 /nfs/dbraw/zinc/41/85/77/429418577.db2.gz NFTJJURSIIEFPT-OAHLLOKOSA-N 1 2 310.401 2.665 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366105738 429418581 /nfs/dbraw/zinc/41/85/81/429418581.db2.gz NFTJJURSIIEFPT-OAHLLOKOSA-N 1 2 310.401 2.665 20 30 DFEDLO C=CCCCCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000519638293 429473156 /nfs/dbraw/zinc/47/31/56/429473156.db2.gz ARYKLQGBYOYURM-UHFFFAOYSA-N 1 2 316.449 2.655 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)CCC2 ZINC000366684916 429494575 /nfs/dbraw/zinc/49/45/75/429494575.db2.gz GDJSWTJUEDTIDK-GFCCVEGCSA-N 1 2 311.345 2.961 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@H](CC)CN1C(C)=O ZINC000428238267 429503122 /nfs/dbraw/zinc/50/31/22/429503122.db2.gz OIQRNAFPFUZZFX-HZPDHXFCSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H](CC)CN1C(C)=O ZINC000428238267 429503129 /nfs/dbraw/zinc/50/31/29/429503129.db2.gz OIQRNAFPFUZZFX-HZPDHXFCSA-N 1 2 317.408 2.919 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000492537989 429559988 /nfs/dbraw/zinc/55/99/88/429559988.db2.gz RSDGXKZEUMJMHT-WBTMPAOCSA-N 1 2 314.776 2.951 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000428938975 429561417 /nfs/dbraw/zinc/56/14/17/429561417.db2.gz KRGLNINIUMPPDE-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000428938975 429561419 /nfs/dbraw/zinc/56/14/19/429561419.db2.gz KRGLNINIUMPPDE-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000450068176 429563706 /nfs/dbraw/zinc/56/37/06/429563706.db2.gz ODCRMCQKGHNSRC-KXBFYZLASA-N 1 2 322.412 2.682 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429140311 429582461 /nfs/dbraw/zinc/58/24/61/429582461.db2.gz YVEUVXZZDLCVMP-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429140311 429582465 /nfs/dbraw/zinc/58/24/65/429582465.db2.gz YVEUVXZZDLCVMP-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C=CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000450386006 429615033 /nfs/dbraw/zinc/61/50/33/429615033.db2.gz FYJQNYAGSWQZTE-UHFFFAOYSA-N 1 2 312.329 2.571 20 30 DFEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CCC1 ZINC000450394364 429615649 /nfs/dbraw/zinc/61/56/49/429615649.db2.gz SPSQJWDAVQHZLJ-UHFFFAOYSA-N 1 2 302.374 2.558 20 30 DFEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CCC1 ZINC000450394364 429615653 /nfs/dbraw/zinc/61/56/53/429615653.db2.gz SPSQJWDAVQHZLJ-UHFFFAOYSA-N 1 2 302.374 2.558 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)c3ccc(C#N)cc3)[nH+]c12 ZINC000525172294 429648256 /nfs/dbraw/zinc/64/82/56/429648256.db2.gz FAUYFPPZWAGMNR-UHFFFAOYSA-N 1 2 304.353 2.720 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)o1 ZINC000367467177 429655319 /nfs/dbraw/zinc/65/53/19/429655319.db2.gz JOCBTULHTKLQTI-SFHVURJKSA-N 1 2 304.353 2.953 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(C#N)c([N+](=O)[O-])c2)CC1(C)C ZINC000450642249 429668304 /nfs/dbraw/zinc/66/83/04/429668304.db2.gz IEPXVTMQOWZUTR-AWEZNQCLSA-N 1 2 311.345 2.787 20 30 DFEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)o1 ZINC000367467177 429655313 /nfs/dbraw/zinc/65/53/13/429655313.db2.gz JOCBTULHTKLQTI-SFHVURJKSA-N 1 2 304.353 2.953 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577405 429675565 /nfs/dbraw/zinc/67/55/65/429675565.db2.gz SVOZEPLEWVUTHX-SJLPKXTDSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577405 429675568 /nfs/dbraw/zinc/67/55/68/429675568.db2.gz SVOZEPLEWVUTHX-SJLPKXTDSA-N 1 2 302.393 2.652 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493119092 429692363 /nfs/dbraw/zinc/69/23/63/429692363.db2.gz GKRRISBGTSXHBO-RMKNXTFCSA-N 1 2 308.385 2.894 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459314139 429696290 /nfs/dbraw/zinc/69/62/90/429696290.db2.gz QCZIAKIMCGPVKZ-UHFFFAOYSA-N 1 2 319.412 2.548 20 30 DFEDLO COCC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccco1 ZINC000459414438 429697932 /nfs/dbraw/zinc/69/79/32/429697932.db2.gz YYRZWVUUEYHCFQ-CQSZACIVSA-N 1 2 315.329 2.927 20 30 DFEDLO N#CC1(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CCC1 ZINC000450890117 429722027 /nfs/dbraw/zinc/72/20/27/429722027.db2.gz FTQKOJUINZGNJL-LBPRGKRZSA-N 1 2 314.307 2.902 20 30 DFEDLO Cc1cc(C)c(C#N)c(NCc2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000368160124 429800945 /nfs/dbraw/zinc/80/09/45/429800945.db2.gz BHTYBMZHWSQZFU-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO N#CC1(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CCC1 ZINC000451056834 429758045 /nfs/dbraw/zinc/75/80/45/429758045.db2.gz IHRGIQQEJGVHLC-UHFFFAOYSA-N 1 2 301.365 2.583 20 30 DFEDLO N#CC1(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CCC1 ZINC000451056834 429758050 /nfs/dbraw/zinc/75/80/50/429758050.db2.gz IHRGIQQEJGVHLC-UHFFFAOYSA-N 1 2 301.365 2.583 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](F)C1 ZINC000451193765 429785538 /nfs/dbraw/zinc/78/55/38/429785538.db2.gz VIXDAWCYSIRWQC-JSGCOSHPSA-N 1 2 307.344 2.505 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](F)C1 ZINC000451193765 429785543 /nfs/dbraw/zinc/78/55/43/429785543.db2.gz VIXDAWCYSIRWQC-JSGCOSHPSA-N 1 2 307.344 2.505 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000528073562 429845053 /nfs/dbraw/zinc/84/50/53/429845053.db2.gz FAUBNFNFYYNSAA-KGLIPLIRSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000528073562 429845057 /nfs/dbraw/zinc/84/50/57/429845057.db2.gz FAUBNFNFYYNSAA-KGLIPLIRSA-N 1 2 304.438 2.698 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000528413382 429885785 /nfs/dbraw/zinc/88/57/85/429885785.db2.gz JWUINMMFJRILSV-CYBMUJFWSA-N 1 2 313.376 2.720 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000528413382 429885787 /nfs/dbraw/zinc/88/57/87/429885787.db2.gz JWUINMMFJRILSV-CYBMUJFWSA-N 1 2 313.376 2.720 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447824 429889919 /nfs/dbraw/zinc/88/99/19/429889919.db2.gz CYNYSBKDFMOSCJ-HZPDHXFCSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000528447824 429889921 /nfs/dbraw/zinc/88/99/21/429889921.db2.gz CYNYSBKDFMOSCJ-HZPDHXFCSA-N 1 2 320.820 2.768 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504102 429894770 /nfs/dbraw/zinc/89/47/70/429894770.db2.gz MNKSXYSXKUWLKK-UONOGXRCSA-N 1 2 317.437 2.510 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504102 429894771 /nfs/dbraw/zinc/89/47/71/429894771.db2.gz MNKSXYSXKUWLKK-UONOGXRCSA-N 1 2 317.437 2.510 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369026347 429908191 /nfs/dbraw/zinc/90/81/91/429908191.db2.gz HELWNLXBPCKWMN-SFHVURJKSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369026347 429908192 /nfs/dbraw/zinc/90/81/92/429908192.db2.gz HELWNLXBPCKWMN-SFHVURJKSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1=O ZINC000528719382 429910047 /nfs/dbraw/zinc/91/00/47/429910047.db2.gz LOKLASLTLACNGX-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1=O ZINC000528719382 429910049 /nfs/dbraw/zinc/91/00/49/429910049.db2.gz LOKLASLTLACNGX-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@@](=O)C1 ZINC000369347293 429926013 /nfs/dbraw/zinc/92/60/13/429926013.db2.gz WTHMCMZJRFDMBQ-IVZQSRNASA-N 1 2 320.458 2.570 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@@](=O)C1 ZINC000369347293 429926016 /nfs/dbraw/zinc/92/60/16/429926016.db2.gz WTHMCMZJRFDMBQ-IVZQSRNASA-N 1 2 320.458 2.570 20 30 DFEDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103508 429962669 /nfs/dbraw/zinc/96/26/69/429962669.db2.gz KOWHTITWSUDFOH-NWDGAFQWSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103508 429962673 /nfs/dbraw/zinc/96/26/73/429962673.db2.gz KOWHTITWSUDFOH-NWDGAFQWSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000573135956 429929584 /nfs/dbraw/zinc/92/95/84/429929584.db2.gz LFNSRCCMQDZBTL-JTQLQIEISA-N 1 2 302.765 2.946 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000573135956 429929590 /nfs/dbraw/zinc/92/95/90/429929590.db2.gz LFNSRCCMQDZBTL-JTQLQIEISA-N 1 2 302.765 2.946 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000369366193 429932208 /nfs/dbraw/zinc/93/22/08/429932208.db2.gz LECLYUOTDYUUJC-IJDCCNJMSA-N 1 2 320.396 2.711 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C1=O ZINC000529556139 430029979 /nfs/dbraw/zinc/02/99/79/430029979.db2.gz LAMDSNZPSXEWFG-NSHDSACASA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C1=O ZINC000529556139 430029986 /nfs/dbraw/zinc/02/99/86/430029986.db2.gz LAMDSNZPSXEWFG-NSHDSACASA-N 1 2 318.364 2.986 20 30 DFEDLO COc1cccc(OC)c1OCCCC[NH+]1CC(C)(C#N)C1 ZINC000574650231 430051541 /nfs/dbraw/zinc/05/15/41/430051541.db2.gz SFCJWLLGXSAYOL-UHFFFAOYSA-N 1 2 304.390 2.708 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000575069951 430054252 /nfs/dbraw/zinc/05/42/52/430054252.db2.gz NHEMQVCJNOZKBW-HIFRSBDPSA-N 1 2 316.380 2.743 20 30 DFEDLO CC(C)Cc1cccc([C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000575049569 430054287 /nfs/dbraw/zinc/05/42/87/430054287.db2.gz GTMBEWYKSBWCBE-KXBFYZLASA-N 1 2 315.461 2.949 20 30 DFEDLO CCOC(=O)c1csc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000575178339 430055379 /nfs/dbraw/zinc/05/53/79/430055379.db2.gz VWZXUXLFFSERBT-UHFFFAOYSA-N 1 2 307.419 2.836 20 30 DFEDLO CCN1CCN(c2ccc(Cl)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480867 430117883 /nfs/dbraw/zinc/11/78/83/430117883.db2.gz RFPDXZNPXHXBNZ-HNNXBMFYSA-N 1 2 315.808 2.818 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000580436061 430131745 /nfs/dbraw/zinc/13/17/45/430131745.db2.gz MUPFWCAIJNKADU-ORHYLEIMSA-N 1 2 319.371 2.705 20 30 DFEDLO N#Cc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)nc1 ZINC000531508006 430144483 /nfs/dbraw/zinc/14/44/83/430144483.db2.gz YYFPJXHESFFGLJ-UHFFFAOYSA-N 1 2 321.315 2.662 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000580712051 430147346 /nfs/dbraw/zinc/14/73/46/430147346.db2.gz VENZOXXVLNRUEB-UHFFFAOYSA-N 1 2 307.344 2.919 20 30 DFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)C3(C#N)CCOCC3)ccc21 ZINC000562557297 430147551 /nfs/dbraw/zinc/14/75/51/430147551.db2.gz ZPTOFDVSMSSDBI-UHFFFAOYSA-N 1 2 324.384 2.560 20 30 DFEDLO COc1coc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1=O ZINC000531870173 430149672 /nfs/dbraw/zinc/14/96/72/430149672.db2.gz YSBOBUGUZGWJBN-IAGOWNOFSA-N 1 2 324.380 2.920 20 30 DFEDLO COc1coc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1=O ZINC000531870173 430149675 /nfs/dbraw/zinc/14/96/75/430149675.db2.gz YSBOBUGUZGWJBN-IAGOWNOFSA-N 1 2 324.380 2.920 20 30 DFEDLO N#Cc1cc(F)c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000531911560 430149699 /nfs/dbraw/zinc/14/96/99/430149699.db2.gz ZBKOUEJHZJUOCJ-HZPDHXFCSA-N 1 2 321.371 2.892 20 30 DFEDLO N#CC1(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CC1 ZINC000540559842 430181707 /nfs/dbraw/zinc/18/17/07/430181707.db2.gz CEXWLCIORUVGTL-UHFFFAOYSA-N 1 2 309.413 2.847 20 30 DFEDLO N#CC1(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CC1 ZINC000540559842 430181711 /nfs/dbraw/zinc/18/17/11/430181711.db2.gz CEXWLCIORUVGTL-UHFFFAOYSA-N 1 2 309.413 2.847 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541025192 430183578 /nfs/dbraw/zinc/18/35/78/430183578.db2.gz VFPAVTPJJRXLPC-UHFFFAOYSA-N 1 2 321.446 2.763 20 30 DFEDLO Cc1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000541871297 430192127 /nfs/dbraw/zinc/19/21/27/430192127.db2.gz UTLOUMKEABJWKR-UHFFFAOYSA-N 1 2 302.403 2.819 20 30 DFEDLO CC(C)(C#N)CCS(=O)(=O)Nc1ccc2c[nH+]ccc2c1 ZINC000563890697 430192827 /nfs/dbraw/zinc/19/28/27/430192827.db2.gz SNEYTIZVHOWMCX-UHFFFAOYSA-N 1 2 303.387 2.916 20 30 DFEDLO Cc1cccc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc21 ZINC000564731372 430197008 /nfs/dbraw/zinc/19/70/08/430197008.db2.gz LHZISRZXPOLRKB-MRXNPFEDSA-N 1 2 301.415 2.783 20 30 DFEDLO Cc1cccc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc21 ZINC000564731368 430197094 /nfs/dbraw/zinc/19/70/94/430197094.db2.gz LHZISRZXPOLRKB-INIZCTEOSA-N 1 2 301.415 2.783 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000367223184 277367325 /nfs/dbraw/zinc/36/73/25/277367325.db2.gz GQQPXEPDJCZSMR-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000367223184 277367328 /nfs/dbraw/zinc/36/73/28/277367328.db2.gz GQQPXEPDJCZSMR-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000543648675 430257409 /nfs/dbraw/zinc/25/74/09/430257409.db2.gz MLBPWVCULCUCES-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000543648675 430257415 /nfs/dbraw/zinc/25/74/15/430257415.db2.gz MLBPWVCULCUCES-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000566665463 430270889 /nfs/dbraw/zinc/27/08/89/430270889.db2.gz ATFGHUIWJJIGAX-CVEARBPZSA-N 1 2 324.428 2.754 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000566665463 430270893 /nfs/dbraw/zinc/27/08/93/430270893.db2.gz ATFGHUIWJJIGAX-CVEARBPZSA-N 1 2 324.428 2.754 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCO[C@H](CC)c2ccccc2)nn1 ZINC000641167467 430350233 /nfs/dbraw/zinc/35/02/33/430350233.db2.gz NUUDZCFNRMFWKS-GOSISDBHSA-N 1 2 312.417 2.559 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000568105109 430319190 /nfs/dbraw/zinc/31/91/90/430319190.db2.gz OPYUWPNUSWUDHB-WDEREUQCSA-N 1 2 316.430 2.717 20 30 DFEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)CC1 ZINC000583263432 430379306 /nfs/dbraw/zinc/37/93/06/430379306.db2.gz UICCSTGCZDBJAP-CQSZACIVSA-N 1 2 317.458 2.511 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2sccc2C#N)CC1(C)C ZINC000583423091 430392961 /nfs/dbraw/zinc/39/29/61/430392961.db2.gz OKDBERBLANYOEB-LBPRGKRZSA-N 1 2 300.387 2.577 20 30 DFEDLO COc1cc(CNc2cc(C)[nH+]cc2C#N)ccc1OC(F)F ZINC000583496053 430401836 /nfs/dbraw/zinc/40/18/36/430401836.db2.gz YBIDJUXQOYUICT-UHFFFAOYSA-N 1 2 319.311 2.906 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568897803 430403667 /nfs/dbraw/zinc/40/36/67/430403667.db2.gz CFZIZYULEHLPLO-CMPLNLGQSA-N 1 2 304.781 2.821 20 30 DFEDLO C=CC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635986211 430429824 /nfs/dbraw/zinc/42/98/24/430429824.db2.gz CDESUXDHMSGJMR-INIZCTEOSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CC(C)(C)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635986211 430429828 /nfs/dbraw/zinc/42/98/28/430429828.db2.gz CDESUXDHMSGJMR-INIZCTEOSA-N 1 2 302.418 2.598 20 30 DFEDLO CC#CCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000641825130 430484832 /nfs/dbraw/zinc/48/48/32/430484832.db2.gz WWDQNFPJCXTYKS-HNNXBMFYSA-N 1 2 314.364 2.693 20 30 DFEDLO C=CC(C)(C)CCNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636249221 430495108 /nfs/dbraw/zinc/49/51/08/430495108.db2.gz BVCJRXPUVHNFJH-QGZVFWFLSA-N 1 2 316.445 2.988 20 30 DFEDLO C=CC(C)(C)CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636249221 430495111 /nfs/dbraw/zinc/49/51/11/430495111.db2.gz BVCJRXPUVHNFJH-QGZVFWFLSA-N 1 2 316.445 2.988 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NCc1nc(C#N)cs1)c1ccccc1 ZINC000570488057 430548382 /nfs/dbraw/zinc/54/83/82/430548382.db2.gz JGZHLQXHBGJKFG-OAHLLOKOSA-N 1 2 309.398 2.627 20 30 DFEDLO Cc1cccn2cc(CCNc3ccc(Cl)c(C#N)n3)[nH+]c12 ZINC000610468871 430564186 /nfs/dbraw/zinc/56/41/86/430564186.db2.gz POMFYSUZHICKLU-UHFFFAOYSA-N 1 2 311.776 3.217 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000571144120 430606212 /nfs/dbraw/zinc/60/62/12/430606212.db2.gz SPZYIIWSTWPKOF-DLBZAZTESA-N 1 2 320.396 2.791 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000571144120 430606218 /nfs/dbraw/zinc/60/62/18/430606218.db2.gz SPZYIIWSTWPKOF-DLBZAZTESA-N 1 2 320.396 2.791 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000553815073 430624225 /nfs/dbraw/zinc/62/42/25/430624225.db2.gz YOWWJHQHCHXQRZ-SSDMNJCBSA-N 1 2 315.421 2.500 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000555595412 430670794 /nfs/dbraw/zinc/67/07/94/430670794.db2.gz BYIINDARZASOAH-OAGGEKHMSA-N 1 2 304.438 2.997 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000556312893 430683287 /nfs/dbraw/zinc/68/32/87/430683287.db2.gz YFCWUHMDXPCZCC-OAHLLOKOSA-N 1 2 319.355 2.664 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000556312893 430683288 /nfs/dbraw/zinc/68/32/88/430683288.db2.gz YFCWUHMDXPCZCC-OAHLLOKOSA-N 1 2 319.355 2.664 20 30 DFEDLO N#CCc1ccc(CNc2nc(C3CC3)[nH+]c3c2CCC3)cc1 ZINC000572478747 430688582 /nfs/dbraw/zinc/68/85/82/430688582.db2.gz XZRHQOPTFZSZPU-UHFFFAOYSA-N 1 2 304.397 3.521 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000556837898 430694357 /nfs/dbraw/zinc/69/43/57/430694357.db2.gz YRJVPRZOKGGFEA-UHFFFAOYSA-N 1 2 302.765 2.618 20 30 DFEDLO C=CCCCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000654505797 430715916 /nfs/dbraw/zinc/71/59/16/430715916.db2.gz UWRRAQJVKMSEPA-HNNXBMFYSA-N 1 2 302.422 2.706 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664829808 430757443 /nfs/dbraw/zinc/75/74/43/430757443.db2.gz QUDUTSRBMZRYAM-QGZVFWFLSA-N 1 2 301.434 2.889 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664829808 430757446 /nfs/dbraw/zinc/75/74/46/430757446.db2.gz QUDUTSRBMZRYAM-QGZVFWFLSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000644796766 430826763 /nfs/dbraw/zinc/82/67/63/430826763.db2.gz HDMPKOORYHQPPC-UHFFFAOYSA-N 1 2 318.465 2.540 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000658436457 430893096 /nfs/dbraw/zinc/89/30/96/430893096.db2.gz ZBBVDKZWGLQTBA-OAHLLOKOSA-N 1 2 315.417 2.760 20 30 DFEDLO C=C[C@H](CO)[NH2+]Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000662165663 430986098 /nfs/dbraw/zinc/98/60/98/430986098.db2.gz KYDARPWQUGHJMR-CQSZACIVSA-N 1 2 317.389 2.552 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCc3nccnc3C2)cc1 ZINC000662125894 430968569 /nfs/dbraw/zinc/96/85/69/430968569.db2.gz YVAPATJNCIYSQO-UHFFFAOYSA-N 1 2 317.314 2.905 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCc3nccnc3C2)cc1 ZINC000662125894 430968572 /nfs/dbraw/zinc/96/85/72/430968572.db2.gz YVAPATJNCIYSQO-UHFFFAOYSA-N 1 2 317.314 2.905 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645931560 431119765 /nfs/dbraw/zinc/11/97/65/431119765.db2.gz YYICEOAWHHJAGU-INIZCTEOSA-N 1 2 312.417 2.935 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000665945021 431072941 /nfs/dbraw/zinc/07/29/41/431072941.db2.gz ARILSWXLOQHPEA-HNNXBMFYSA-N 1 2 317.433 2.660 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000665944214 431072962 /nfs/dbraw/zinc/07/29/62/431072962.db2.gz IMXCKMBEMYCQIQ-DLBZAZTESA-N 1 2 310.401 2.987 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000660325699 431379397 /nfs/dbraw/zinc/37/93/97/431379397.db2.gz CTFPZUJSONSLDW-CQSZACIVSA-N 1 2 302.422 2.645 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2cnccc2C(F)(F)F)nn1 ZINC000663353804 431381945 /nfs/dbraw/zinc/38/19/45/431381945.db2.gz CBJYRRREPPQVMA-UHFFFAOYSA-N 1 2 311.311 2.558 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCc3c(F)cc(F)cc32)nn1 ZINC000656463180 431394442 /nfs/dbraw/zinc/39/44/42/431394442.db2.gz DCEAQYWKYAVAQJ-KRWDZBQOSA-N 1 2 316.355 2.595 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000666901648 431402413 /nfs/dbraw/zinc/40/24/13/431402413.db2.gz JCHUDHWRXDKRAK-GOSISDBHSA-N 1 2 311.385 2.762 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nsc3ccccc23)C1=O ZINC000660463399 431443558 /nfs/dbraw/zinc/44/35/58/431443558.db2.gz CJOGNTFXLTUBRG-CQSZACIVSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nsc3ccccc23)C1=O ZINC000660463399 431443565 /nfs/dbraw/zinc/44/35/65/431443565.db2.gz CJOGNTFXLTUBRG-CQSZACIVSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)CC)nn1 ZINC000653586812 431447496 /nfs/dbraw/zinc/44/74/96/431447496.db2.gz CFNBDKLOFPQROR-GOSISDBHSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC)nn1 ZINC000653586812 431447503 /nfs/dbraw/zinc/44/75/03/431447503.db2.gz CFNBDKLOFPQROR-GOSISDBHSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)nn1 ZINC000653585376 431448983 /nfs/dbraw/zinc/44/89/83/431448983.db2.gz NXVQVVMUNTUGLD-RDTXWAMCSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)nn1 ZINC000653585376 431448987 /nfs/dbraw/zinc/44/89/87/431448987.db2.gz NXVQVVMUNTUGLD-RDTXWAMCSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)nn1 ZINC000653618322 431462515 /nfs/dbraw/zinc/46/25/15/431462515.db2.gz ATSBKULJEQMAGD-INIZCTEOSA-N 1 2 316.405 2.931 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)nn1 ZINC000653618322 431462522 /nfs/dbraw/zinc/46/25/22/431462522.db2.gz ATSBKULJEQMAGD-INIZCTEOSA-N 1 2 316.405 2.931 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)nn1 ZINC000653618396 431463339 /nfs/dbraw/zinc/46/33/39/431463339.db2.gz FBRJCSSLLBZARM-ZDUSSCGKSA-N 1 2 316.453 2.965 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1C ZINC000657303280 431657813 /nfs/dbraw/zinc/65/78/13/431657813.db2.gz CYWLPNNLSIWAFL-WBVHZDCISA-N 1 2 302.418 2.584 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1C ZINC000657303280 431657820 /nfs/dbraw/zinc/65/78/20/431657820.db2.gz CYWLPNNLSIWAFL-WBVHZDCISA-N 1 2 302.418 2.584 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664073700 431645191 /nfs/dbraw/zinc/64/51/91/431645191.db2.gz JOFMXKOVHUTIGG-UHFFFAOYSA-N 1 2 304.438 2.986 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664073700 431645201 /nfs/dbraw/zinc/64/52/01/431645201.db2.gz JOFMXKOVHUTIGG-UHFFFAOYSA-N 1 2 304.438 2.986 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000664254953 431714943 /nfs/dbraw/zinc/71/49/43/431714943.db2.gz HYUFZEUSFSTNBI-CVEARBPZSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000664254953 431714946 /nfs/dbraw/zinc/71/49/46/431714946.db2.gz HYUFZEUSFSTNBI-CVEARBPZSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000664254955 431716837 /nfs/dbraw/zinc/71/68/37/431716837.db2.gz HYUFZEUSFSTNBI-HOTGVXAUSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000664254955 431716845 /nfs/dbraw/zinc/71/68/45/431716845.db2.gz HYUFZEUSFSTNBI-HOTGVXAUSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)COC ZINC000661243410 431792451 /nfs/dbraw/zinc/79/24/51/431792451.db2.gz KPGIRRWSUMEFNE-GFCCVEGCSA-N 1 2 306.435 2.567 20 30 DFEDLO C=CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@H](C)COC ZINC000661243410 431792455 /nfs/dbraw/zinc/79/24/55/431792455.db2.gz KPGIRRWSUMEFNE-GFCCVEGCSA-N 1 2 306.435 2.567 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H](C)COC ZINC000661243725 431793093 /nfs/dbraw/zinc/79/30/93/431793093.db2.gz MHDAJYTYRUTQOO-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H](C)COC ZINC000661243725 431793099 /nfs/dbraw/zinc/79/30/99/431793099.db2.gz MHDAJYTYRUTQOO-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)[C@H](C)COC ZINC000661245549 431796507 /nfs/dbraw/zinc/79/65/07/431796507.db2.gz BVWFMJHBKAAEIJ-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)[C@H](C)COC ZINC000661245549 431796512 /nfs/dbraw/zinc/79/65/12/431796512.db2.gz BVWFMJHBKAAEIJ-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccnc(C#N)c1 ZINC000281920523 288728088 /nfs/dbraw/zinc/72/80/88/288728088.db2.gz VMRPFEKINAUHDJ-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000274180828 290591648 /nfs/dbraw/zinc/59/16/48/290591648.db2.gz BMOXZWBSMKDWMK-BLLLJJGKSA-N 1 2 311.345 2.750 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000280628715 294026338 /nfs/dbraw/zinc/02/63/38/294026338.db2.gz SSTCGEUPMVSVJY-KRWDZBQOSA-N 1 2 309.369 2.589 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000280628715 294026342 /nfs/dbraw/zinc/02/63/42/294026342.db2.gz SSTCGEUPMVSVJY-KRWDZBQOSA-N 1 2 309.369 2.589 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000269485061 294037406 /nfs/dbraw/zinc/03/74/06/294037406.db2.gz XLRBHSRPPUQEAV-CMPLNLGQSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000269485061 294037408 /nfs/dbraw/zinc/03/74/08/294037408.db2.gz XLRBHSRPPUQEAV-CMPLNLGQSA-N 1 2 307.419 2.532 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC000155955928 295328894 /nfs/dbraw/zinc/32/88/94/295328894.db2.gz LVDDRFFACCCIBO-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000157744961 295352921 /nfs/dbraw/zinc/35/29/21/295352921.db2.gz NWAUUKPGXQOQEE-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ncccc1F ZINC000528826732 300850208 /nfs/dbraw/zinc/85/02/08/300850208.db2.gz HIINTEWLTBJUGJ-BLLLJJGKSA-N 1 2 324.359 2.548 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000408029999 301078130 /nfs/dbraw/zinc/07/81/30/301078130.db2.gz DXNPDPBDNARWSS-MRXNPFEDSA-N 1 2 322.416 2.611 20 30 DFEDLO N#Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000540847750 301370308 /nfs/dbraw/zinc/37/03/08/301370308.db2.gz CXXLIAVAICBOFY-UHFFFAOYSA-N 1 2 324.771 2.832 20 30 DFEDLO N#Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000541833739 301398188 /nfs/dbraw/zinc/39/81/88/301398188.db2.gz LELDHNDIWXORGI-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000543456062 301431555 /nfs/dbraw/zinc/43/15/55/301431555.db2.gz OWNVOVNXXBBMLN-GFCCVEGCSA-N 1 2 314.776 2.575 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000559118290 301866358 /nfs/dbraw/zinc/86/63/58/301866358.db2.gz CBCHRTDHWHOKEU-UHFFFAOYSA-N 1 2 317.352 2.915 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C2CC2)cc1 ZINC000563203629 302048845 /nfs/dbraw/zinc/04/88/45/302048845.db2.gz GYQXZDOPSUBGHC-MRXNPFEDSA-N 1 2 320.396 2.508 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000563204598 302049020 /nfs/dbraw/zinc/04/90/20/302049020.db2.gz UMAKOLDPLBOXMU-PBHICJAKSA-N 1 2 322.412 2.927 20 30 DFEDLO C[C@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)n1cc[nH+]c1 ZINC000563216799 302051117 /nfs/dbraw/zinc/05/11/17/302051117.db2.gz JCHDVLFDBVDHNN-GFCCVEGCSA-N 1 2 309.373 2.618 20 30 DFEDLO C[N@@H+]1CCc2ncnc(N[C@@H]3CCCc4cc(C#N)ccc43)c2C1 ZINC000563522873 302080059 /nfs/dbraw/zinc/08/00/59/302080059.db2.gz OMBJSBLRPOAEPS-GOSISDBHSA-N 1 2 319.412 2.826 20 30 DFEDLO C[N@H+]1CCc2ncnc(N[C@@H]3CCCc4cc(C#N)ccc43)c2C1 ZINC000563522873 302080061 /nfs/dbraw/zinc/08/00/61/302080061.db2.gz OMBJSBLRPOAEPS-GOSISDBHSA-N 1 2 319.412 2.826 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000564007109 302114117 /nfs/dbraw/zinc/11/41/17/302114117.db2.gz VLNCZMDLHHFIEK-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000564007109 302114119 /nfs/dbraw/zinc/11/41/19/302114119.db2.gz VLNCZMDLHHFIEK-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC000566672005 302302993 /nfs/dbraw/zinc/30/29/93/302302993.db2.gz MEDUYMYIJBKANQ-MRXNPFEDSA-N 1 2 317.458 2.891 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC000566672005 302302995 /nfs/dbraw/zinc/30/29/95/302302995.db2.gz MEDUYMYIJBKANQ-MRXNPFEDSA-N 1 2 317.458 2.891 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NCc1nc(C#N)cs1)c1ccccc1 ZINC000570488056 302576316 /nfs/dbraw/zinc/57/63/16/302576316.db2.gz JGZHLQXHBGJKFG-HNNXBMFYSA-N 1 2 309.398 2.627 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccc1F ZINC000366051258 303180337 /nfs/dbraw/zinc/18/03/37/303180337.db2.gz AHMXQVYGZSINGW-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccc1F ZINC000366051258 303180340 /nfs/dbraw/zinc/18/03/40/303180340.db2.gz AHMXQVYGZSINGW-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000363631637 303182890 /nfs/dbraw/zinc/18/28/90/303182890.db2.gz PJOOVMGFVYSBEN-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000363631637 303182891 /nfs/dbraw/zinc/18/28/91/303182891.db2.gz PJOOVMGFVYSBEN-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1C ZINC000565377328 317919213 /nfs/dbraw/zinc/91/92/13/317919213.db2.gz FMOMVPYRAGLDAX-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000572825129 318005006 /nfs/dbraw/zinc/00/50/06/318005006.db2.gz UAZPJNWQJJNGOH-CQSZACIVSA-N 1 2 314.414 2.762 20 30 DFEDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000572825129 318005008 /nfs/dbraw/zinc/00/50/08/318005008.db2.gz UAZPJNWQJJNGOH-CQSZACIVSA-N 1 2 314.414 2.762 20 30 DFEDLO Cc1noc([C@@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000574650380 318031402 /nfs/dbraw/zinc/03/14/02/318031402.db2.gz XPTMTNGIXZTLSK-GFCCVEGCSA-N 1 2 300.362 2.712 20 30 DFEDLO Cc1noc([C@@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000574650380 318031404 /nfs/dbraw/zinc/03/14/04/318031404.db2.gz XPTMTNGIXZTLSK-GFCCVEGCSA-N 1 2 300.362 2.712 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000575224901 318070928 /nfs/dbraw/zinc/07/09/28/318070928.db2.gz WCKADROZFLYYFT-ZDUSSCGKSA-N 1 2 301.419 2.702 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000575224901 318070929 /nfs/dbraw/zinc/07/09/29/318070929.db2.gz WCKADROZFLYYFT-ZDUSSCGKSA-N 1 2 301.419 2.702 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189910547 323227193 /nfs/dbraw/zinc/22/71/93/323227193.db2.gz KKYWXDDGGVDWAU-UHFFFAOYSA-N 1 2 313.430 2.542 20 30 DFEDLO Cc1csc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000580782146 323435209 /nfs/dbraw/zinc/43/52/09/323435209.db2.gz WRUDCSZNXVTFOD-NSHDSACASA-N 1 2 315.402 2.683 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2[nH+]ccn21 ZINC000582709908 323720755 /nfs/dbraw/zinc/72/07/55/323720755.db2.gz IROBHAXGBNLEHT-RNCFNFMXSA-N 1 2 300.749 2.844 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000574924771 332851226 /nfs/dbraw/zinc/85/12/26/332851226.db2.gz GFNVTKKFSBIHBX-JTQLQIEISA-N 1 2 315.295 2.806 20 30 DFEDLO CCOC(=O)N[C@H](C/[NH+]=C/c1cccc(OC)c1O)CC(C)C ZINC000041701588 331688744 /nfs/dbraw/zinc/68/87/44/331688744.db2.gz FKXQMHNVCLJNOT-XKYMITNMSA-N 1 2 322.405 2.981 20 30 DFEDLO C=CCC1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000556600433 331719492 /nfs/dbraw/zinc/71/94/92/331719492.db2.gz GVQOYLVEPRWBCT-AWEZNQCLSA-N 1 2 302.422 2.634 20 30 DFEDLO CCOC(=O)N[C@@H](C/[NH+]=C\c1cccc(OC)c1O)CC(C)C ZINC000255871976 331811670 /nfs/dbraw/zinc/81/16/70/331811670.db2.gz FKXQMHNVCLJNOT-FNHQQPGVSA-N 1 2 322.405 2.981 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000580090425 332935143 /nfs/dbraw/zinc/93/51/43/332935143.db2.gz UDEGDPWUQGWQAU-RDJZCZTQSA-N 1 2 305.397 2.921 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OCC)C1=O ZINC000569351750 332022258 /nfs/dbraw/zinc/02/22/58/332022258.db2.gz MRARNBPJRAGOSA-OAHLLOKOSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OCC)C1=O ZINC000569351750 332022259 /nfs/dbraw/zinc/02/22/59/332022259.db2.gz MRARNBPJRAGOSA-OAHLLOKOSA-N 1 2 322.836 2.957 20 30 DFEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(C#N)CC1 ZINC000559332468 332027591 /nfs/dbraw/zinc/02/75/91/332027591.db2.gz HOHWTHBYUROOEC-UHFFFAOYSA-N 1 2 312.822 2.527 20 30 DFEDLO CCCCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OC ZINC000092936268 332132529 /nfs/dbraw/zinc/13/25/29/332132529.db2.gz NEZUFGJXRWCHHZ-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO O=C1CCC(=O)N1CCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000105935518 332255343 /nfs/dbraw/zinc/25/53/43/332255343.db2.gz JTSJIMVRYQAKOB-XDHOZWIPSA-N 1 2 310.353 2.503 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000106878167 332261937 /nfs/dbraw/zinc/26/19/37/332261937.db2.gz JAVHYLYTIKFMTQ-WBMJQRKESA-N 1 2 322.478 2.807 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000106878167 332261938 /nfs/dbraw/zinc/26/19/38/332261938.db2.gz JAVHYLYTIKFMTQ-WBMJQRKESA-N 1 2 322.478 2.807 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000119796838 332293124 /nfs/dbraw/zinc/29/31/24/332293124.db2.gz PYUORUIZYQUHAQ-SFHVURJKSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000119796838 332293126 /nfs/dbraw/zinc/29/31/26/332293126.db2.gz PYUORUIZYQUHAQ-SFHVURJKSA-N 1 2 322.408 2.664 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111715192 332307583 /nfs/dbraw/zinc/30/75/83/332307583.db2.gz XAWRBLHKOWSQSC-UHFFFAOYSA-N 1 2 309.373 2.818 20 30 DFEDLO CO/N=C/c1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000120306216 332385283 /nfs/dbraw/zinc/38/52/83/332385283.db2.gz UYFCEKSLWSLQNE-SLDJAQPHSA-N 1 2 312.373 2.757 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1F ZINC000120574177 332387490 /nfs/dbraw/zinc/38/74/90/332387490.db2.gz PGDVBZSVHMOGJD-HNNXBMFYSA-N 1 2 317.408 2.822 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1F ZINC000120574177 332387493 /nfs/dbraw/zinc/38/74/93/332387493.db2.gz PGDVBZSVHMOGJD-HNNXBMFYSA-N 1 2 317.408 2.822 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000121144225 332392900 /nfs/dbraw/zinc/39/29/00/332392900.db2.gz PDQXQYBWXTYZPJ-CQSZACIVSA-N 1 2 304.390 2.883 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000121144225 332392901 /nfs/dbraw/zinc/39/29/01/332392901.db2.gz PDQXQYBWXTYZPJ-CQSZACIVSA-N 1 2 304.390 2.883 20 30 DFEDLO C[C@H](O[NH+]=C(N)CCO)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000121381899 332395329 /nfs/dbraw/zinc/39/53/29/332395329.db2.gz QWXNPUNIGQPQEM-VIFPVBQESA-N 1 2 309.753 2.727 20 30 DFEDLO Cc1cc(N(CCC#N)C(=O)Cn2cc[nH+]c2)ccc1Cl ZINC000122530787 332409586 /nfs/dbraw/zinc/40/95/86/332409586.db2.gz JGBIEJGTFJYPIC-UHFFFAOYSA-N 1 2 302.765 2.792 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000293205642 335105152 /nfs/dbraw/zinc/10/51/52/335105152.db2.gz QOEOSOZLJJKPQO-UHFFFAOYSA-N 1 2 309.479 2.614 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000154187607 332429014 /nfs/dbraw/zinc/42/90/14/332429014.db2.gz LUYCMBHOFUCXMI-WBVHZDCISA-N 1 2 308.385 2.607 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000293450241 335106422 /nfs/dbraw/zinc/10/64/22/335106422.db2.gz RWKLYBKQHGLWQL-VQIMIIECSA-N 1 2 321.424 2.907 20 30 DFEDLO Cc1cc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)ccc1F ZINC000125001874 332442158 /nfs/dbraw/zinc/44/21/58/332442158.db2.gz LCERCGGHDUEERN-UHFFFAOYSA-N 1 2 300.337 2.920 20 30 DFEDLO C=C(C)CCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427661848 332479845 /nfs/dbraw/zinc/47/98/45/332479845.db2.gz FMXQDPSFQVUJSD-HNNXBMFYSA-N 1 2 319.474 2.818 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]1COC ZINC000293704392 335112568 /nfs/dbraw/zinc/11/25/68/335112568.db2.gz XJTZFAJDCYAIIF-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]1COC ZINC000293704392 335112569 /nfs/dbraw/zinc/11/25/69/335112569.db2.gz XJTZFAJDCYAIIF-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO CCOc1cccc(/C=N/[C@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000133120771 332583283 /nfs/dbraw/zinc/58/32/83/332583283.db2.gz AFUREWBEEOEYTE-SLDJAQPHSA-N 1 2 311.385 2.884 20 30 DFEDLO C=CCCCS(=O)(=O)Nc1cc(CC)[nH+]c2ccccc12 ZINC000562353447 332584093 /nfs/dbraw/zinc/58/40/93/332584093.db2.gz AIPZATMXFBVUTF-UHFFFAOYSA-N 1 2 304.415 2.927 20 30 DFEDLO CC(C)c1nnc(CO[NH+]=C(N)Cc2ccccc2Cl)o1 ZINC000136640976 332631696 /nfs/dbraw/zinc/63/16/96/332631696.db2.gz MPUZHUFSRNJWIS-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO N#CCCC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868898 332962038 /nfs/dbraw/zinc/96/20/38/332962038.db2.gz SZBKVTUFYMBFKM-UHFFFAOYSA-N 1 2 310.401 2.763 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000188457165 333046707 /nfs/dbraw/zinc/04/67/07/333046707.db2.gz JCSWDZOHYVWMSC-CYBMUJFWSA-N 1 2 323.183 2.650 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CC1CC1 ZINC000171546329 333050541 /nfs/dbraw/zinc/05/05/41/333050541.db2.gz IQHAWHIXPYJWQV-UHFFFAOYSA-N 1 2 310.401 2.751 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000172248504 333060729 /nfs/dbraw/zinc/06/07/29/333060729.db2.gz CMWXVUOKUHNFCD-UHFFFAOYSA-N 1 2 312.417 2.658 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000172248504 333060730 /nfs/dbraw/zinc/06/07/30/333060730.db2.gz CMWXVUOKUHNFCD-UHFFFAOYSA-N 1 2 312.417 2.658 20 30 DFEDLO C#C[C@H](NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000491415510 333082108 /nfs/dbraw/zinc/08/21/08/333082108.db2.gz HKYGYRGLCFNABF-HNNXBMFYSA-N 1 2 302.809 2.604 20 30 DFEDLO C#CCCOc1ccc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000294379908 335121648 /nfs/dbraw/zinc/12/16/48/335121648.db2.gz BUOWROASFUKBNU-UHFFFAOYSA-N 1 2 323.396 2.552 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CC(F)(F)F ZINC000177624042 333130779 /nfs/dbraw/zinc/13/07/79/333130779.db2.gz BODXPKRKPKFAAD-UHFFFAOYSA-N 1 2 324.306 2.649 20 30 DFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc[nH+]cc1C ZINC000107286926 333167357 /nfs/dbraw/zinc/16/73/57/333167357.db2.gz IQGNAWXRTIHSBF-UHFFFAOYSA-N 1 2 311.389 2.688 20 30 DFEDLO CN(C)C(=O)COc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185725396 333212786 /nfs/dbraw/zinc/21/27/86/333212786.db2.gz HDOOLVDQSZYLKY-HIFRSBDPSA-N 1 2 301.390 2.648 20 30 DFEDLO C#CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364033342 333223241 /nfs/dbraw/zinc/22/32/41/333223241.db2.gz LUDHTIOXXGDPAX-INIZCTEOSA-N 1 2 307.397 2.642 20 30 DFEDLO N#CCCN(CCCCc1ccccc1)CC[NH+]1CCOCC1 ZINC000187112935 333227708 /nfs/dbraw/zinc/22/77/08/333227708.db2.gz ROOMWBDUGXFXBJ-UHFFFAOYSA-N 1 2 315.461 2.557 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000187395648 333231686 /nfs/dbraw/zinc/23/16/86/333231686.db2.gz HEKFOHBJXWDZES-LBPRGKRZSA-N 1 2 314.838 2.915 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309839 333322349 /nfs/dbraw/zinc/32/23/49/333322349.db2.gz CCVXALFVIUMVOP-GFCCVEGCSA-N 1 2 321.371 2.720 20 30 DFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000364512055 333324649 /nfs/dbraw/zinc/32/46/49/333324649.db2.gz ANGBBPINOROWDB-AWEZNQCLSA-N 1 2 311.385 2.501 20 30 DFEDLO C=CC1CC[NH+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000111256777 333328344 /nfs/dbraw/zinc/32/83/44/333328344.db2.gz WWKYVVYDBGNVNC-UHFFFAOYSA-N 1 2 315.442 2.871 20 30 DFEDLO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364727881 333329809 /nfs/dbraw/zinc/32/98/09/333329809.db2.gz HSMGKQPMOHTAQA-GDBMZVCRSA-N 1 2 322.412 2.873 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000367693692 333329960 /nfs/dbraw/zinc/32/99/60/333329960.db2.gz KJSSJUXAFQLUBN-OAHLLOKOSA-N 1 2 320.396 2.605 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364984514 333333808 /nfs/dbraw/zinc/33/38/08/333333808.db2.gz CFEXGEYWTDEVAL-OAHLLOKOSA-N 1 2 308.385 2.701 20 30 DFEDLO CCCCCCCC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365103797 333355151 /nfs/dbraw/zinc/35/51/51/333355151.db2.gz CUGYHPGMZLEBQP-SFHVURJKSA-N 1 2 323.525 2.833 20 30 DFEDLO CC#CCNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000338439421 333487611 /nfs/dbraw/zinc/48/76/11/333487611.db2.gz SEYHLYZHMJIMRN-UHFFFAOYSA-N 1 2 310.401 2.756 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369391023 333489342 /nfs/dbraw/zinc/48/93/42/333489342.db2.gz HVZYPZJBOLSZDA-RDJZCZTQSA-N 1 2 302.422 2.891 20 30 DFEDLO CCC[C@H](C#N)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000410834665 333600169 /nfs/dbraw/zinc/60/01/69/333600169.db2.gz KZZRIWQHCOSKOX-LLVKDONJSA-N 1 2 320.343 2.774 20 30 DFEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)OCC ZINC000343370614 335159895 /nfs/dbraw/zinc/15/98/95/335159895.db2.gz RZWBHVQOQDZXFR-OAHLLOKOSA-N 1 2 314.389 2.636 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000271775257 334026771 /nfs/dbraw/zinc/02/67/71/334026771.db2.gz KNKNZKFDNOKAET-HNNXBMFYSA-N 1 2 311.389 2.607 20 30 DFEDLO COC(=O)C[N@@H+](CCC(C)(C)C#N)Cc1cc(Cl)ccc1O ZINC000272049171 334030176 /nfs/dbraw/zinc/03/01/76/334030176.db2.gz SZKJUGUHVBICDM-UHFFFAOYSA-N 1 2 324.808 2.960 20 30 DFEDLO CSc1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272546534 334036889 /nfs/dbraw/zinc/03/68/89/334036889.db2.gz KDYBDDOVDRSUCT-UHFFFAOYSA-N 1 2 303.431 2.973 20 30 DFEDLO N#CCCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000273109799 334043474 /nfs/dbraw/zinc/04/34/74/334043474.db2.gz GEWAASWWQAGGLX-UHFFFAOYSA-N 1 2 315.421 2.565 20 30 DFEDLO COC(=O)c1coc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000274276842 334058572 /nfs/dbraw/zinc/05/85/72/334058572.db2.gz TYCLAQHUYLXOPY-UHFFFAOYSA-N 1 2 315.329 2.756 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(C)(C#N)CC2)c1 ZINC000274275444 334058634 /nfs/dbraw/zinc/05/86/34/334058634.db2.gz BTXABZCICHYFGM-UHFFFAOYSA-N 1 2 320.458 2.785 20 30 DFEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000274811504 334066633 /nfs/dbraw/zinc/06/66/33/334066633.db2.gz NEBDOGOTPNXKPK-UHFFFAOYSA-N 1 2 312.417 2.627 20 30 DFEDLO Cc1nc(C)c(CO[NH+]=C(N)COc2cccc(F)c2)s1 ZINC000275426940 334070921 /nfs/dbraw/zinc/07/09/21/334070921.db2.gz FNPRQFWJUZAAKD-UHFFFAOYSA-N 1 2 309.366 2.767 20 30 DFEDLO CC[N@H+](CCC#N)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276307583 334075518 /nfs/dbraw/zinc/07/55/18/334075518.db2.gz YDDRBPMZUSGCAQ-INIZCTEOSA-N 1 2 321.371 2.691 20 30 DFEDLO CC[N@@H+](CCC#N)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276307583 334075519 /nfs/dbraw/zinc/07/55/19/334075519.db2.gz YDDRBPMZUSGCAQ-INIZCTEOSA-N 1 2 321.371 2.691 20 30 DFEDLO Oc1ccc2ccccc2c1/C=N/CC1([NH+]2CCOCC2)CC1 ZINC000277461121 334088434 /nfs/dbraw/zinc/08/84/34/334088434.db2.gz IUOBTPLTPKWMRE-DEDYPNTBSA-N 1 2 310.397 2.829 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000278644715 334099151 /nfs/dbraw/zinc/09/91/51/334099151.db2.gz PHAQCWAVPQQLOB-GDBMZVCRSA-N 1 2 321.371 2.766 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000278644715 334099152 /nfs/dbraw/zinc/09/91/52/334099152.db2.gz PHAQCWAVPQQLOB-GDBMZVCRSA-N 1 2 321.371 2.766 20 30 DFEDLO NC(COc1ccccc1F)=[NH+]OCCCC1CCOCC1 ZINC000279708159 334111197 /nfs/dbraw/zinc/11/11/97/334111197.db2.gz HTKLSEMCMGDOQK-UHFFFAOYSA-N 1 2 310.369 2.700 20 30 DFEDLO C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)Cn1cc[nH+]c1 ZINC000280219622 334115322 /nfs/dbraw/zinc/11/53/22/334115322.db2.gz RSPKGQKJJHZMSH-AWEZNQCLSA-N 1 2 310.401 2.750 20 30 DFEDLO N#CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CCCC1 ZINC000283223865 334139473 /nfs/dbraw/zinc/13/94/73/334139473.db2.gz SXSLFMHWOJDNSN-MRXNPFEDSA-N 1 2 311.429 2.917 20 30 DFEDLO N#CC[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CCCC1 ZINC000283223865 334139474 /nfs/dbraw/zinc/13/94/74/334139474.db2.gz SXSLFMHWOJDNSN-MRXNPFEDSA-N 1 2 311.429 2.917 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000285259413 334146673 /nfs/dbraw/zinc/14/66/73/334146673.db2.gz SDDAXCPYSPWJPP-KRWDZBQOSA-N 1 2 300.406 2.628 20 30 DFEDLO COc1c[nH+]c(NCCCCC#N)nc1NCCCCC#N ZINC000288111849 334159263 /nfs/dbraw/zinc/15/92/63/334159263.db2.gz XMODSMVAIUFYHF-UHFFFAOYSA-N 1 2 302.382 2.697 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCc2occc2C1 ZINC000288642042 334161528 /nfs/dbraw/zinc/16/15/28/334161528.db2.gz APYJGPAKIIGBMR-CQSZACIVSA-N 1 2 315.417 2.759 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCc2occc2C1 ZINC000288642042 334161529 /nfs/dbraw/zinc/16/15/29/334161529.db2.gz APYJGPAKIIGBMR-CQSZACIVSA-N 1 2 315.417 2.759 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000291606887 334180238 /nfs/dbraw/zinc/18/02/38/334180238.db2.gz CLSDQWQMSQSXLF-HOCLYGCPSA-N 1 2 307.344 2.520 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000291606887 334180240 /nfs/dbraw/zinc/18/02/40/334180240.db2.gz CLSDQWQMSQSXLF-HOCLYGCPSA-N 1 2 307.344 2.520 20 30 DFEDLO N#CCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000291695717 334181007 /nfs/dbraw/zinc/18/10/07/334181007.db2.gz NASVWNHYQSQHFE-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000291890046 334182804 /nfs/dbraw/zinc/18/28/04/334182804.db2.gz JZIWDGPVZFWHRF-UHFFFAOYSA-N 1 2 305.809 2.678 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000292267305 334186183 /nfs/dbraw/zinc/18/61/83/334186183.db2.gz RVQGLPYNSGJGID-INIZCTEOSA-N 1 2 308.809 2.619 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000292267305 334186184 /nfs/dbraw/zinc/18/61/84/334186184.db2.gz RVQGLPYNSGJGID-INIZCTEOSA-N 1 2 308.809 2.619 20 30 DFEDLO C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292386685 334187446 /nfs/dbraw/zinc/18/74/46/334187446.db2.gz KCFPEONXDCXCGJ-JQHSSLGASA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292386685 334187449 /nfs/dbraw/zinc/18/74/49/334187449.db2.gz KCFPEONXDCXCGJ-JQHSSLGASA-N 1 2 311.429 2.627 20 30 DFEDLO Cc1[nH+]c2cc(OS(=O)(=O)CC(C)(C)CC#N)ccc2n1C ZINC000297260981 334240370 /nfs/dbraw/zinc/24/03/70/334240370.db2.gz YRRRLJSKTPFIIF-UHFFFAOYSA-N 1 2 321.402 2.530 20 30 DFEDLO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000299423760 334255449 /nfs/dbraw/zinc/25/54/49/334255449.db2.gz XAKAOONMLYFJGX-ZDUSSCGKSA-N 1 2 305.809 2.676 20 30 DFEDLO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000299423760 334255450 /nfs/dbraw/zinc/25/54/50/334255450.db2.gz XAKAOONMLYFJGX-ZDUSSCGKSA-N 1 2 305.809 2.676 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120312564 334317580 /nfs/dbraw/zinc/31/75/80/334317580.db2.gz CYNGWXKSAMGEAL-CYBMUJFWSA-N 1 2 309.841 2.699 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120312564 334317582 /nfs/dbraw/zinc/31/75/82/334317582.db2.gz CYNGWXKSAMGEAL-CYBMUJFWSA-N 1 2 309.841 2.699 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000121304304 334343752 /nfs/dbraw/zinc/34/37/52/334343752.db2.gz CYMXHTJTEZAOAD-UHFFFAOYSA-N 1 2 319.405 2.929 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000121304304 334343753 /nfs/dbraw/zinc/34/37/53/334343753.db2.gz CYMXHTJTEZAOAD-UHFFFAOYSA-N 1 2 319.405 2.929 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342981518 334593286 /nfs/dbraw/zinc/59/32/86/334593286.db2.gz SJTLBLZYULHROL-GOEBONIOSA-N 1 2 303.406 2.989 20 30 DFEDLO CC1CC(C#N)(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000532065427 334718279 /nfs/dbraw/zinc/71/82/79/334718279.db2.gz HPVGRLVWEDCWDV-UHFFFAOYSA-N 1 2 302.765 2.544 20 30 DFEDLO O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328719272 334748145 /nfs/dbraw/zinc/74/81/45/334748145.db2.gz QENMFENJTBWPLS-ZDUSSCGKSA-N 1 2 311.389 2.729 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328747681 334751343 /nfs/dbraw/zinc/75/13/43/334751343.db2.gz QCLNYVQKBLMXJV-WTANOLMUSA-N 1 2 323.396 2.895 20 30 DFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1[nH]cc[nH+]1 ZINC000328814187 334755160 /nfs/dbraw/zinc/75/51/60/334755160.db2.gz GEMUGFZDRAJJPJ-JTQLQIEISA-N 1 2 306.391 2.573 20 30 DFEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C(C1CC1)C1CC1 ZINC000328779125 334756499 /nfs/dbraw/zinc/75/64/99/334756499.db2.gz GOMBUELJTPOBRM-UHFFFAOYSA-N 1 2 315.417 2.811 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)CCC2 ZINC000330710624 334805378 /nfs/dbraw/zinc/80/53/78/334805378.db2.gz UDQIGYXNIRKJGX-VXGBXAGGSA-N 1 2 321.425 2.522 20 30 DFEDLO C=CCCN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000344258421 335233442 /nfs/dbraw/zinc/23/34/42/335233442.db2.gz BKDHKWPPJJCVAV-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO C=CCCN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000344258421 335233444 /nfs/dbraw/zinc/23/34/44/335233444.db2.gz BKDHKWPPJJCVAV-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000345819689 335353144 /nfs/dbraw/zinc/35/31/44/335353144.db2.gz SISYVJUGEXJXMI-OLZOCXBDSA-N 1 2 305.809 2.705 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000346348626 335396871 /nfs/dbraw/zinc/39/68/71/335396871.db2.gz OUXBNHJJTXRILI-AWEZNQCLSA-N 1 2 300.406 2.999 20 30 DFEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000367056791 335607579 /nfs/dbraw/zinc/60/75/79/335607579.db2.gz BUXQDJACGHFTNB-CQSZACIVSA-N 1 2 323.400 2.504 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349248009 335658758 /nfs/dbraw/zinc/65/87/58/335658758.db2.gz VFSMVPLBNDPAPC-QWHCGFSZSA-N 1 2 319.430 2.990 20 30 DFEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329525653 335989345 /nfs/dbraw/zinc/98/93/45/335989345.db2.gz RBXJSGYZUOKPSN-OAHLLOKOSA-N 1 2 314.389 2.771 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329575783 335996555 /nfs/dbraw/zinc/99/65/55/335996555.db2.gz JXTTYFSDQPSSAT-VQISRLSMSA-N 1 2 321.783 2.866 20 30 DFEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000329607484 336004559 /nfs/dbraw/zinc/00/45/59/336004559.db2.gz MTRNKOZSVIUYNH-SOUVJXGZSA-N 1 2 302.422 2.972 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000329607484 336004561 /nfs/dbraw/zinc/00/45/61/336004561.db2.gz MTRNKOZSVIUYNH-SOUVJXGZSA-N 1 2 302.422 2.972 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329621995 336014651 /nfs/dbraw/zinc/01/46/51/336014651.db2.gz UNTWMJRYBHCXHP-NILFDRSVSA-N 1 2 303.793 2.727 20 30 DFEDLO Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329645823 336026211 /nfs/dbraw/zinc/02/62/11/336026211.db2.gz DLZOJHRFVRCVIB-CABCVRRESA-N 1 2 324.428 2.979 20 30 DFEDLO Cc1ccccc1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329645823 336026213 /nfs/dbraw/zinc/02/62/13/336026213.db2.gz DLZOJHRFVRCVIB-CABCVRRESA-N 1 2 324.428 2.979 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1(C)C ZINC000329648296 336026493 /nfs/dbraw/zinc/02/64/93/336026493.db2.gz FCNCWDMFTZUMJW-IJLUTSLNSA-N 1 2 303.406 2.865 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1(C)C ZINC000329648296 336026495 /nfs/dbraw/zinc/02/64/95/336026495.db2.gz FCNCWDMFTZUMJW-IJLUTSLNSA-N 1 2 303.406 2.865 20 30 DFEDLO CCc1nnc(C)cc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000329788014 336081752 /nfs/dbraw/zinc/08/17/52/336081752.db2.gz RPARBQUXLBZOEO-CYBMUJFWSA-N 1 2 313.405 2.735 20 30 DFEDLO O=C(C[C@@H]1CCOC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329836126 336087759 /nfs/dbraw/zinc/08/77/59/336087759.db2.gz LRNKYELHJVMEBW-HNNXBMFYSA-N 1 2 304.390 2.533 20 30 DFEDLO CC(C)(C)c1csc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000329836918 336087951 /nfs/dbraw/zinc/08/79/51/336087951.db2.gz LWGIQSBKSPAUQT-UHFFFAOYSA-N 1 2 305.407 2.698 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCCC(=O)N1 ZINC000329864920 336090439 /nfs/dbraw/zinc/09/04/39/336090439.db2.gz SZMTUUDFUUXKDO-ZDUSSCGKSA-N 1 2 304.394 2.618 20 30 DFEDLO Cc1ccsc1CN(C)C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329871391 336091038 /nfs/dbraw/zinc/09/10/38/336091038.db2.gz ARLFRSOTPUGGTH-CYBMUJFWSA-N 1 2 318.446 2.861 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)CCC2 ZINC000329885449 336092358 /nfs/dbraw/zinc/09/23/58/336092358.db2.gz UROIAHVZLKTSDP-STQMWFEESA-N 1 2 304.394 2.925 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329897776 336093318 /nfs/dbraw/zinc/09/33/18/336093318.db2.gz DETPNJLBXPPMTF-IIDMSEBBSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329897776 336093319 /nfs/dbraw/zinc/09/33/19/336093319.db2.gz DETPNJLBXPPMTF-IIDMSEBBSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000329904855 336094031 /nfs/dbraw/zinc/09/40/31/336094031.db2.gz AFUCWTAEKBMTEX-GJZGRUSLSA-N 1 2 317.433 2.933 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000329904855 336094033 /nfs/dbraw/zinc/09/40/33/336094033.db2.gz AFUCWTAEKBMTEX-GJZGRUSLSA-N 1 2 317.433 2.933 20 30 DFEDLO CC(C)(C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000329914393 336094844 /nfs/dbraw/zinc/09/48/44/336094844.db2.gz PCXNKMMVRNZOFW-UHFFFAOYSA-N 1 2 315.417 2.778 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(=O)[nH]1)C2 ZINC000329968282 336100928 /nfs/dbraw/zinc/10/09/28/336100928.db2.gz WOZQKKSFUWERAB-SECBINFHSA-N 1 2 320.418 2.662 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329973062 336101623 /nfs/dbraw/zinc/10/16/23/336101623.db2.gz WPUPBYGGDQFCDA-JHJVBQTASA-N 1 2 303.406 2.796 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCc2c(O)cccc21 ZINC000330019585 336106359 /nfs/dbraw/zinc/10/63/59/336106359.db2.gz VIGDDWSKBKNSOC-DOMZBBRYSA-N 1 2 311.385 2.980 20 30 DFEDLO COc1ccc2c(c1NC(=O)N(C)Cc1[nH+]ccn1C)CCC2 ZINC000330133052 336116596 /nfs/dbraw/zinc/11/65/96/336116596.db2.gz QUIZMZHTLGUGPE-UHFFFAOYSA-N 1 2 314.389 2.595 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330143394 336117753 /nfs/dbraw/zinc/11/77/53/336117753.db2.gz RBRVESYJUUYIGX-ZBEGNZNMSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330143394 336117755 /nfs/dbraw/zinc/11/77/55/336117755.db2.gz RBRVESYJUUYIGX-ZBEGNZNMSA-N 1 2 318.373 2.503 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccccc1 ZINC000330182735 336121657 /nfs/dbraw/zinc/12/16/57/336121657.db2.gz HMMOMZUEXZWXFZ-HZPDHXFCSA-N 1 2 310.401 2.949 20 30 DFEDLO [O-]C(N[C@@H]1CSc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183822 336121907 /nfs/dbraw/zinc/12/19/07/336121907.db2.gz IEZGLTQVNNQCMN-DGCLKSJQSA-N 1 2 314.414 2.549 20 30 DFEDLO CC[C@@H]1CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330191429 336122678 /nfs/dbraw/zinc/12/26/78/336122678.db2.gz NBFKPSXXILKNIB-QWHCGFSZSA-N 1 2 304.438 2.894 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330218191 336125532 /nfs/dbraw/zinc/12/55/32/336125532.db2.gz JCJCZPYBOBTXDX-CQSZACIVSA-N 1 2 300.358 2.867 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330218191 336125533 /nfs/dbraw/zinc/12/55/33/336125533.db2.gz JCJCZPYBOBTXDX-CQSZACIVSA-N 1 2 300.358 2.867 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC3(C1)CCCC3)CCC2 ZINC000330268655 336131582 /nfs/dbraw/zinc/13/15/82/336131582.db2.gz IUOKNUJHKSBUSC-CQSZACIVSA-N 1 2 302.422 2.859 20 30 DFEDLO CC(C)(C)C1=CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330279293 336132895 /nfs/dbraw/zinc/13/28/95/336132895.db2.gz QVHQZRGFUZSAQZ-AWEZNQCLSA-N 1 2 302.422 2.790 20 30 DFEDLO CC(C)(C)C1=CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330279293 336132896 /nfs/dbraw/zinc/13/28/96/336132896.db2.gz QVHQZRGFUZSAQZ-AWEZNQCLSA-N 1 2 302.422 2.790 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000330291007 336135889 /nfs/dbraw/zinc/13/58/89/336135889.db2.gz GGFKZFVOTBCJIO-QLFBSQMISA-N 1 2 320.437 2.912 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000331507365 336138759 /nfs/dbraw/zinc/13/87/59/336138759.db2.gz FAFCWHXMNPXBJM-MNOVXSKESA-N 1 2 300.387 2.517 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000331659966 336143614 /nfs/dbraw/zinc/14/36/14/336143614.db2.gz SENCILIZPLXKLF-KFWWJZLASA-N 1 2 315.421 2.832 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000331756237 336147521 /nfs/dbraw/zinc/14/75/21/336147521.db2.gz MDAQBDAHDNTRPG-FXUDXRNXSA-N 1 2 315.421 2.558 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000332167710 336161338 /nfs/dbraw/zinc/16/13/38/336161338.db2.gz KIXSDVOURQBEDL-ABAIWWIYSA-N 1 2 301.781 2.703 20 30 DFEDLO Cc1sc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C#N)nc(=O)c2c1C ZINC000332288285 336166676 /nfs/dbraw/zinc/16/66/76/336166676.db2.gz ZERZLLPJXWNOEG-GHMZBOCLSA-N 1 2 302.403 2.796 20 30 DFEDLO C[C@@H]([NH2+]CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000332723494 336180252 /nfs/dbraw/zinc/18/02/52/336180252.db2.gz SJOIPPCHESUNJC-SECBINFHSA-N 1 2 311.179 2.785 20 30 DFEDLO C=C(C)CN(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000352062519 336192654 /nfs/dbraw/zinc/19/26/54/336192654.db2.gz WXOPBEICQWBFEM-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1Cl ZINC000352467667 336220208 /nfs/dbraw/zinc/22/02/08/336220208.db2.gz MHFLWOGCAZGDGP-LBPRGKRZSA-N 1 2 323.799 2.845 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c(C)c1 ZINC000352484531 336221450 /nfs/dbraw/zinc/22/14/50/336221450.db2.gz QPRBXRCLYVZRHW-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO C=CCSCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352539462 336223403 /nfs/dbraw/zinc/22/34/03/336223403.db2.gz AXPOYJHGBCUMJM-UHFFFAOYSA-N 1 2 303.431 2.770 20 30 DFEDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000352709399 336231757 /nfs/dbraw/zinc/23/17/57/336231757.db2.gz LCPFDGWQZYTEGI-CYBMUJFWSA-N 1 2 314.389 2.911 20 30 DFEDLO C=CC[N@@H+](Cc1cnn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000352852102 336280164 /nfs/dbraw/zinc/28/01/64/336280164.db2.gz DVGLSWFGAZXLTC-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO C=CC[N@H+](Cc1cnn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000352852102 336280165 /nfs/dbraw/zinc/28/01/65/336280165.db2.gz DVGLSWFGAZXLTC-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CC(C)(C)C#N)C2 ZINC000352864377 336283186 /nfs/dbraw/zinc/28/31/86/336283186.db2.gz DJBRDSNPBICDNQ-GFCCVEGCSA-N 1 2 302.422 2.551 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c(O)co1 ZINC000352946546 336378754 /nfs/dbraw/zinc/37/87/54/336378754.db2.gz JDFPZGAXWPDDIQ-UHFFFAOYSA-N 1 2 317.389 2.701 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c(O)co1 ZINC000352946546 336378755 /nfs/dbraw/zinc/37/87/55/336378755.db2.gz JDFPZGAXWPDDIQ-UHFFFAOYSA-N 1 2 317.389 2.701 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000353284973 336382628 /nfs/dbraw/zinc/38/26/28/336382628.db2.gz GXZDDOISEBJHCP-ZIAGYGMSSA-N 1 2 305.397 2.827 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000353284973 336382629 /nfs/dbraw/zinc/38/26/29/336382629.db2.gz GXZDDOISEBJHCP-ZIAGYGMSSA-N 1 2 305.397 2.827 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000514612477 336386153 /nfs/dbraw/zinc/38/61/53/336386153.db2.gz RZKCGMKYAJNELD-CYBMUJFWSA-N 1 2 303.797 2.917 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000353691007 336435109 /nfs/dbraw/zinc/43/51/09/336435109.db2.gz FONGNKKLPKSQNH-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000368435272 336844715 /nfs/dbraw/zinc/84/47/15/336844715.db2.gz RNNRWGAZCHLLLQ-MRXNPFEDSA-N 1 2 320.396 2.953 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121385860 336946991 /nfs/dbraw/zinc/94/69/91/336946991.db2.gz QDVPKLQAQUPREO-GOSISDBHSA-N 1 2 323.444 2.846 20 30 DFEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375142649 337004380 /nfs/dbraw/zinc/00/43/80/337004380.db2.gz SUTARRQXRZDRET-KSSFIOAISA-N 1 2 314.433 2.743 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c1 ZINC000375214533 337006040 /nfs/dbraw/zinc/00/60/40/337006040.db2.gz IOLUPSXLXDXYKI-RHSMWYFYSA-N 1 2 305.381 2.774 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000375589281 337013943 /nfs/dbraw/zinc/01/39/43/337013943.db2.gz ANXRUSVYKYCYPH-UHFFFAOYSA-N 1 2 313.467 2.616 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000376304555 337030944 /nfs/dbraw/zinc/03/09/44/337030944.db2.gz OLTKNZYDUYFSGO-HNNXBMFYSA-N 1 2 320.437 2.813 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000376879709 337043108 /nfs/dbraw/zinc/04/31/08/337043108.db2.gz IGTUKCAKESKQIX-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000376879709 337043109 /nfs/dbraw/zinc/04/31/09/337043109.db2.gz IGTUKCAKESKQIX-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000376999624 337045063 /nfs/dbraw/zinc/04/50/63/337045063.db2.gz AAWOGJQASOCSCH-CQSZACIVSA-N 1 2 303.410 2.560 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)CCC2 ZINC000378253001 337068841 /nfs/dbraw/zinc/06/88/41/337068841.db2.gz PUECGOXVKMTLJB-OAHLLOKOSA-N 1 2 323.400 2.957 20 30 DFEDLO Cc1cn2c([nH+]1)CN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000378641281 337077405 /nfs/dbraw/zinc/07/74/05/337077405.db2.gz YSWSLGCDHRGYKP-UHFFFAOYSA-N 1 2 310.401 2.890 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000172309582 337091790 /nfs/dbraw/zinc/09/17/90/337091790.db2.gz ZKGFMFTXTSMTGK-SCLBCKFNSA-N 1 2 310.401 2.933 20 30 DFEDLO C#CCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000172927380 337132480 /nfs/dbraw/zinc/13/24/80/337132480.db2.gz RIEXUFSFAXGTAO-UHFFFAOYSA-N 1 2 321.424 2.756 20 30 DFEDLO C#CCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000172927380 337132481 /nfs/dbraw/zinc/13/24/81/337132481.db2.gz RIEXUFSFAXGTAO-UHFFFAOYSA-N 1 2 321.424 2.756 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000177642880 337158192 /nfs/dbraw/zinc/15/81/92/337158192.db2.gz ULKQIOATPPXTPI-CYBMUJFWSA-N 1 2 303.381 2.581 20 30 DFEDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179805905 337171942 /nfs/dbraw/zinc/17/19/42/337171942.db2.gz TUGPSPDERVQWKR-KRWDZBQOSA-N 1 2 316.401 2.897 20 30 DFEDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179805905 337171943 /nfs/dbraw/zinc/17/19/43/337171943.db2.gz TUGPSPDERVQWKR-KRWDZBQOSA-N 1 2 316.401 2.897 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000181273157 337180868 /nfs/dbraw/zinc/18/08/68/337180868.db2.gz OFHWPDYNHAVPGS-UHFFFAOYSA-N 1 2 312.421 2.768 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000181273157 337180869 /nfs/dbraw/zinc/18/08/69/337180869.db2.gz OFHWPDYNHAVPGS-UHFFFAOYSA-N 1 2 312.421 2.768 20 30 DFEDLO N#C[C@@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCc2ccccc2C1 ZINC000183963834 337194174 /nfs/dbraw/zinc/19/41/74/337194174.db2.gz RSZBXGDPKRIZCO-LJQANCHMSA-N 1 2 316.364 2.515 20 30 DFEDLO Cc1nn(C)c(C[NH+]2CCC(CC#N)CC2)c1Br ZINC000397214547 337257273 /nfs/dbraw/zinc/25/72/73/337257273.db2.gz FZOIRISQBHCGJG-UHFFFAOYSA-N 1 2 311.227 2.617 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000188213339 337272318 /nfs/dbraw/zinc/27/23/18/337272318.db2.gz ZTKMVXAETCGPMJ-LJQANCHMSA-N 1 2 316.445 2.942 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191082111 337293761 /nfs/dbraw/zinc/29/37/61/337293761.db2.gz ZMSMGLLEYXGLFF-LBPRGKRZSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191082111 337293762 /nfs/dbraw/zinc/29/37/62/337293762.db2.gz ZMSMGLLEYXGLFF-LBPRGKRZSA-N 1 2 319.430 2.758 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242210 337305256 /nfs/dbraw/zinc/30/52/56/337305256.db2.gz JPVMLXIIAXAQRL-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242210 337305257 /nfs/dbraw/zinc/30/52/57/337305257.db2.gz JPVMLXIIAXAQRL-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000584561788 337361434 /nfs/dbraw/zinc/36/14/34/337361434.db2.gz ZUQCWOKKAAAJNZ-GFCCVEGCSA-N 1 2 321.446 2.959 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000584561788 337361435 /nfs/dbraw/zinc/36/14/35/337361435.db2.gz ZUQCWOKKAAAJNZ-GFCCVEGCSA-N 1 2 321.446 2.959 20 30 DFEDLO CCCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Cl ZINC000584622896 337375093 /nfs/dbraw/zinc/37/50/93/337375093.db2.gz SNBAVYYWSLFZBE-MRXNPFEDSA-N 1 2 307.825 2.866 20 30 DFEDLO CC(C)(C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110979189 337389383 /nfs/dbraw/zinc/38/93/83/337389383.db2.gz RYRFZMZMLZPRHD-GFCCVEGCSA-N 1 2 321.371 2.595 20 30 DFEDLO CC(C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110979189 337389384 /nfs/dbraw/zinc/38/93/84/337389384.db2.gz RYRFZMZMLZPRHD-GFCCVEGCSA-N 1 2 321.371 2.595 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000264488288 337632716 /nfs/dbraw/zinc/63/27/16/337632716.db2.gz RWSKWXDYZAAXHM-UHFFFAOYSA-N 1 2 309.753 2.839 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000580470057 337680231 /nfs/dbraw/zinc/68/02/31/337680231.db2.gz VZFYYEUBGACFPZ-AWEZNQCLSA-N 1 2 314.389 2.628 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000528191947 337792864 /nfs/dbraw/zinc/79/28/64/337792864.db2.gz IDIBJMJWWJCUBX-UHFFFAOYSA-N 1 2 314.364 2.958 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000424291542 337816321 /nfs/dbraw/zinc/81/63/21/337816321.db2.gz DPOLGMXDVDEKHJ-MRXNPFEDSA-N 1 2 313.361 2.540 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)nn1 ZINC000424296465 337817048 /nfs/dbraw/zinc/81/70/48/337817048.db2.gz OQAVMWAKDDDSFU-NSHDSACASA-N 1 2 306.797 2.977 20 30 DFEDLO CCC(CC)Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000514942081 337974577 /nfs/dbraw/zinc/97/45/77/337974577.db2.gz QBUJDYPDWGDNQK-GOSISDBHSA-N 1 2 317.433 2.828 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(C2CCCCC2)n1 ZINC000515303533 337985173 /nfs/dbraw/zinc/98/51/73/337985173.db2.gz GXCKYYHACFQXEI-MRXNPFEDSA-N 1 2 320.462 2.764 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000516246280 338008759 /nfs/dbraw/zinc/00/87/59/338008759.db2.gz LIFFKAIPTHFQJP-GOSISDBHSA-N 1 2 312.417 2.652 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516537752 338014890 /nfs/dbraw/zinc/01/48/90/338014890.db2.gz DUGQOVIZBOOFHT-DOMZBBRYSA-N 1 2 301.321 2.541 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2CC)c1 ZINC000428432441 338051200 /nfs/dbraw/zinc/05/12/00/338051200.db2.gz PWZWTIKFCHNONM-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCN(CC)C(=O)[C@@H]2CC)c1 ZINC000428432441 338051201 /nfs/dbraw/zinc/05/12/01/338051201.db2.gz PWZWTIKFCHNONM-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2CC)cc1 ZINC000428449286 338052226 /nfs/dbraw/zinc/05/22/26/338052226.db2.gz SZLRIRHJOMWMAS-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)C(=O)[C@@H]2CC)cc1 ZINC000428449286 338052227 /nfs/dbraw/zinc/05/22/27/338052227.db2.gz SZLRIRHJOMWMAS-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ncc(Br)cn1 ZINC000432986590 338175348 /nfs/dbraw/zinc/17/53/48/338175348.db2.gz AQJAXVNKFKCCKC-GFCCVEGCSA-N 1 2 316.202 2.941 20 30 DFEDLO COCc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433022098 338176816 /nfs/dbraw/zinc/17/68/16/338176816.db2.gz ISPAVCSIWAYZJE-AWEZNQCLSA-N 1 2 300.362 2.741 20 30 DFEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296753 338189892 /nfs/dbraw/zinc/18/98/92/338189892.db2.gz UGBBCJNTDNJDFC-KBPBESRZSA-N 1 2 317.433 2.742 20 30 DFEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296753 338189893 /nfs/dbraw/zinc/18/98/93/338189893.db2.gz UGBBCJNTDNJDFC-KBPBESRZSA-N 1 2 317.433 2.742 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433305925 338190910 /nfs/dbraw/zinc/19/09/10/338190910.db2.gz PCGIQWOQVGYQBY-UHFFFAOYSA-N 1 2 301.434 2.905 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433305925 338190911 /nfs/dbraw/zinc/19/09/11/338190911.db2.gz PCGIQWOQVGYQBY-UHFFFAOYSA-N 1 2 301.434 2.905 20 30 DFEDLO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311143 338191330 /nfs/dbraw/zinc/19/13/30/338191330.db2.gz GEQVFSZNYCNXSI-GJZGRUSLSA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311143 338191331 /nfs/dbraw/zinc/19/13/31/338191331.db2.gz GEQVFSZNYCNXSI-GJZGRUSLSA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1Cl ZINC000433318880 338191889 /nfs/dbraw/zinc/19/18/89/338191889.db2.gz MXSDERBVPILLKG-LBPRGKRZSA-N 1 2 307.825 2.999 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1Cl ZINC000433318880 338191890 /nfs/dbraw/zinc/19/18/90/338191890.db2.gz MXSDERBVPILLKG-LBPRGKRZSA-N 1 2 307.825 2.999 20 30 DFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000433340374 338193279 /nfs/dbraw/zinc/19/32/79/338193279.db2.gz DSUKLWTYTXQLJR-KRWDZBQOSA-N 1 2 322.412 2.819 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434623885 338221618 /nfs/dbraw/zinc/22/16/18/338221618.db2.gz NQFSTXPJPZYHIH-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434623885 338221619 /nfs/dbraw/zinc/22/16/19/338221619.db2.gz NQFSTXPJPZYHIH-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000435584588 338242870 /nfs/dbraw/zinc/24/28/70/338242870.db2.gz MPKCZOVZSKNUFS-NVXWUHKLSA-N 1 2 310.401 2.662 20 30 DFEDLO C[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436020141 338256058 /nfs/dbraw/zinc/25/60/58/338256058.db2.gz PRCRGIWYGFJJQY-ZDUSSCGKSA-N 1 2 316.792 2.725 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCO[C@@H](CC)C2)c1C ZINC000439480081 338371127 /nfs/dbraw/zinc/37/11/27/338371127.db2.gz WSGJMVKLNBVPHF-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCO[C@@H](CC)C2)c1C ZINC000439480081 338371128 /nfs/dbraw/zinc/37/11/28/338371128.db2.gz WSGJMVKLNBVPHF-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442830397 338433785 /nfs/dbraw/zinc/43/37/85/338433785.db2.gz SGBXAZWXKJBJMV-KBXCAEBGSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000449124940 338595495 /nfs/dbraw/zinc/59/54/95/338595495.db2.gz QIRDVPGLCSFEOW-UHFFFAOYSA-N 1 2 313.445 2.862 20 30 DFEDLO C=CCC[C@@H](NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)OCC ZINC000449657614 338644725 /nfs/dbraw/zinc/64/47/25/338644725.db2.gz PZLYBEYOOWKXPO-CQSZACIVSA-N 1 2 321.808 2.975 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000454229953 338858358 /nfs/dbraw/zinc/85/83/58/338858358.db2.gz GVBFSMGELIHRJV-UHFFFAOYSA-N 1 2 302.422 2.693 20 30 DFEDLO CC#CCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458576344 339001155 /nfs/dbraw/zinc/00/11/55/339001155.db2.gz PCDMHDVQJVHRBK-SFHVURJKSA-N 1 2 324.428 2.906 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)OC ZINC000482435363 339631119 /nfs/dbraw/zinc/63/11/19/339631119.db2.gz GOZOPSRRUQVMNG-SQNIBIBYSA-N 1 2 317.429 2.732 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491765507 339879530 /nfs/dbraw/zinc/87/95/30/339879530.db2.gz CFWJDYCDZYRCRH-OAHLLOKOSA-N 1 2 310.401 2.809 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1c(C)nnn1CC)c1ccc(Cl)cc1F ZINC000491784582 339881438 /nfs/dbraw/zinc/88/14/38/339881438.db2.gz QVTIMULJUVCGOH-CQSZACIVSA-N 1 2 306.772 2.863 20 30 DFEDLO C=CCN(CCC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492791873 339908898 /nfs/dbraw/zinc/90/88/98/339908898.db2.gz KYDNQDNQSYZYAL-TWGQIWQCSA-N 1 2 306.369 2.814 20 30 DFEDLO Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000493108160 339917362 /nfs/dbraw/zinc/91/73/62/339917362.db2.gz RHGMVXKRHMLCFF-WAVCKPEOSA-N 1 2 305.809 2.622 20 30 DFEDLO C=C(C)COCCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000501301031 340078254 /nfs/dbraw/zinc/07/82/54/340078254.db2.gz LUCWESMWIAHCRN-UHFFFAOYSA-N 1 2 324.852 2.871 20 30 DFEDLO C=C(C)COCCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000501301031 340078255 /nfs/dbraw/zinc/07/82/55/340078255.db2.gz LUCWESMWIAHCRN-UHFFFAOYSA-N 1 2 324.852 2.871 20 30 DFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1C#N ZINC000303407267 533718111 /nfs/dbraw/zinc/71/81/11/533718111.db2.gz SAWJVTNGXLHZOE-GFCCVEGCSA-N 1 2 324.359 2.888 20 30 DFEDLO CC#CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000541749450 340982439 /nfs/dbraw/zinc/98/24/39/340982439.db2.gz LBOBPAIMNORAJD-HNNXBMFYSA-N 1 2 315.417 2.615 20 30 DFEDLO CC1CC(C#N)(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000542166362 340998125 /nfs/dbraw/zinc/99/81/25/340998125.db2.gz UWLXCALQZQPTOM-UHFFFAOYSA-N 1 2 314.433 2.842 20 30 DFEDLO CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000543809094 341060143 /nfs/dbraw/zinc/06/01/43/341060143.db2.gz HJOSHUHMYQUFHB-UHFFFAOYSA-N 1 2 320.458 2.994 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076008324 341195777 /nfs/dbraw/zinc/19/57/77/341195777.db2.gz MCQMNEDPNBGQCU-LLVKDONJSA-N 1 2 319.243 2.884 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076008324 341195778 /nfs/dbraw/zinc/19/57/78/341195778.db2.gz MCQMNEDPNBGQCU-LLVKDONJSA-N 1 2 319.243 2.884 20 30 DFEDLO COc1cc(OC)c(OC)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000547342717 341207391 /nfs/dbraw/zinc/20/73/91/341207391.db2.gz PHZONMVGBBNAEG-UHFFFAOYSA-N 1 2 313.357 2.786 20 30 DFEDLO COC(=O)[C@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135250891 341234409 /nfs/dbraw/zinc/23/44/09/341234409.db2.gz OEZJRAXHIGUIHQ-GOSISDBHSA-N 1 2 300.402 2.919 20 30 DFEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccno2)CC1 ZINC000548427575 341260186 /nfs/dbraw/zinc/26/01/86/341260186.db2.gz SCSXWOIETHKOPI-INIZCTEOSA-N 1 2 316.792 2.710 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000555483008 341483567 /nfs/dbraw/zinc/48/35/67/341483567.db2.gz RVUIZXKTNXNPNE-FQEVSTJZSA-N 1 2 321.424 2.779 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000565036657 341515595 /nfs/dbraw/zinc/51/55/95/341515595.db2.gz WFLGQFFVEHZUFT-DOTOQJQBSA-N 1 2 308.385 2.607 20 30 DFEDLO CC(C)c1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000574500160 341760464 /nfs/dbraw/zinc/76/04/64/341760464.db2.gz QQVKCMHKFPGTSF-SFHVURJKSA-N 1 2 301.434 2.703 20 30 DFEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1Cl ZINC000172028542 341790519 /nfs/dbraw/zinc/79/05/19/341790519.db2.gz HXVBZEUKRJCKCT-HNNXBMFYSA-N 1 2 324.771 2.911 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1C#N ZINC000191351438 523167521 /nfs/dbraw/zinc/16/75/21/523167521.db2.gz VZUFPTYFCDAXTN-UHFFFAOYSA-N 1 2 300.431 2.864 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1C#N ZINC000191351438 523167529 /nfs/dbraw/zinc/16/75/29/523167529.db2.gz VZUFPTYFCDAXTN-UHFFFAOYSA-N 1 2 300.431 2.864 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000157222887 523528688 /nfs/dbraw/zinc/52/86/88/523528688.db2.gz LKNKANNZHYISNO-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000157222887 523528696 /nfs/dbraw/zinc/52/86/96/523528696.db2.gz LKNKANNZHYISNO-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000021585834 524167972 /nfs/dbraw/zinc/16/79/72/524167972.db2.gz XBKYOLQCOVKIPI-BXUZGUMPSA-N 1 2 323.824 2.672 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366535666 525550089 /nfs/dbraw/zinc/55/00/89/525550089.db2.gz SLNYPIGLBLGAQU-UHFFFAOYSA-N 1 2 323.400 2.764 20 30 DFEDLO Cc1n[nH]c(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000366004633 526782015 /nfs/dbraw/zinc/78/20/15/526782015.db2.gz ITYMUJDYQCNROV-UHFFFAOYSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)n[nH]1 ZINC000366004633 526782018 /nfs/dbraw/zinc/78/20/18/526782018.db2.gz ITYMUJDYQCNROV-UHFFFAOYSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nnc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)[nH]1 ZINC000366004633 526782023 /nfs/dbraw/zinc/78/20/23/526782023.db2.gz ITYMUJDYQCNROV-UHFFFAOYSA-N 1 2 320.400 2.617 20 30 DFEDLO CC(C)[N@H+](Cc1nnnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000361650176 535123216 /nfs/dbraw/zinc/12/32/16/535123216.db2.gz MCGXPKRZCOMVAX-UHFFFAOYSA-N 1 2 312.421 2.710 20 30 DFEDLO CC(C)[N@@H+](Cc1nnnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000361650176 535123219 /nfs/dbraw/zinc/12/32/19/535123219.db2.gz MCGXPKRZCOMVAX-UHFFFAOYSA-N 1 2 312.421 2.710 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C\c3cccc(C#N)c3)n2)C1 ZINC000354834085 535215636 /nfs/dbraw/zinc/21/56/36/535215636.db2.gz ZAQDIEOABAUPPB-MWWKQMNYSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C\c3cccc(C#N)c3)n2)C1 ZINC000354834085 535215646 /nfs/dbraw/zinc/21/56/46/535215646.db2.gz ZAQDIEOABAUPPB-MWWKQMNYSA-N 1 2 324.384 2.893 20 30 DFEDLO COc1cc(CNc2cc(N3CCCC3)nc[nH+]2)ccc1C#N ZINC000357619599 536815132 /nfs/dbraw/zinc/81/51/32/536815132.db2.gz DHYBRGNPWUFAFX-UHFFFAOYSA-N 1 2 309.373 2.569 20 30 DFEDLO COc1cc(CNc2cc(N3CCCC3)[nH+]cn2)ccc1C#N ZINC000357619599 536815139 /nfs/dbraw/zinc/81/51/39/536815139.db2.gz DHYBRGNPWUFAFX-UHFFFAOYSA-N 1 2 309.373 2.569 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)CCC1 ZINC000682923093 545941334 /nfs/dbraw/zinc/94/13/34/545941334.db2.gz ZYGNLUOWYMMCJD-OAHLLOKOSA-N 1 2 317.433 2.762 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCC1 ZINC000682923093 545941337 /nfs/dbraw/zinc/94/13/37/545941337.db2.gz ZYGNLUOWYMMCJD-OAHLLOKOSA-N 1 2 317.433 2.762 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684209142 546174024 /nfs/dbraw/zinc/17/40/24/546174024.db2.gz ZJIQVFADMFVMIA-UHFFFAOYSA-N 1 2 323.400 2.647 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684209142 546174027 /nfs/dbraw/zinc/17/40/27/546174027.db2.gz ZJIQVFADMFVMIA-UHFFFAOYSA-N 1 2 323.400 2.647 20 30 DFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N)cc1C ZINC000823958246 607964756 /nfs/dbraw/zinc/96/47/56/607964756.db2.gz GPVMDXQFGMGXIQ-UHFFFAOYSA-N 1 2 307.361 2.593 20 30 DFEDLO COc1cc(OC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000278481097 214181302 /nfs/dbraw/zinc/18/13/02/214181302.db2.gz VLBOWJYFAWWITM-AWEZNQCLSA-N 1 2 324.380 2.993 20 30 DFEDLO COc1cc(OC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000278481097 214181304 /nfs/dbraw/zinc/18/13/04/214181304.db2.gz VLBOWJYFAWWITM-AWEZNQCLSA-N 1 2 324.380 2.993 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278569308 214244148 /nfs/dbraw/zinc/24/41/48/214244148.db2.gz BXQIAQVQIXRJSV-SECBINFHSA-N 1 2 317.336 2.833 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278569308 214244152 /nfs/dbraw/zinc/24/41/52/214244152.db2.gz BXQIAQVQIXRJSV-SECBINFHSA-N 1 2 317.336 2.833 20 30 DFEDLO Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357351 231002707 /nfs/dbraw/zinc/00/27/07/231002707.db2.gz SEKGAOKJLPKNHP-AEFFLSMTSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357351 231002709 /nfs/dbraw/zinc/00/27/09/231002709.db2.gz SEKGAOKJLPKNHP-AEFFLSMTSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357353 231003478 /nfs/dbraw/zinc/00/34/78/231003478.db2.gz SEKGAOKJLPKNHP-FUHWJXTLSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357353 231003479 /nfs/dbraw/zinc/00/34/79/231003479.db2.gz SEKGAOKJLPKNHP-FUHWJXTLSA-N 1 2 312.369 2.567 20 30 DFEDLO CC[N@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000081513876 398355002 /nfs/dbraw/zinc/35/50/02/398355002.db2.gz PGCHTUXIBBWFQK-UHFFFAOYSA-N 1 2 311.385 2.945 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000081513876 398355007 /nfs/dbraw/zinc/35/50/07/398355007.db2.gz PGCHTUXIBBWFQK-UHFFFAOYSA-N 1 2 311.385 2.945 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000081513928 398355076 /nfs/dbraw/zinc/35/50/76/398355076.db2.gz KUGMXNGWAASIPM-LBPRGKRZSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000081513928 398355082 /nfs/dbraw/zinc/35/50/82/398355082.db2.gz KUGMXNGWAASIPM-LBPRGKRZSA-N 1 2 317.216 2.969 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](CC(F)F)CC1 ZINC000596237848 398364919 /nfs/dbraw/zinc/36/49/19/398364919.db2.gz BGBSMSMHOSFIPK-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000596215105 398359209 /nfs/dbraw/zinc/35/92/09/398359209.db2.gz MRCXPKASQFEPAH-MRXNPFEDSA-N 1 2 307.353 2.768 20 30 DFEDLO Cc1cc(N2CCN(c3c(F)cccc3F)CC2)c(C#N)c[nH+]1 ZINC000591954028 398362570 /nfs/dbraw/zinc/36/25/70/398362570.db2.gz YLDWEHRTFSNFRG-UHFFFAOYSA-N 1 2 314.339 2.867 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1F)C1CC1)C1CC1 ZINC000007858177 398366860 /nfs/dbraw/zinc/36/68/60/398366860.db2.gz VXZKABOPHKNFEQ-SFHVURJKSA-N 1 2 315.392 2.599 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1)C1CC1 ZINC000007858177 398366863 /nfs/dbraw/zinc/36/68/63/398366863.db2.gz VXZKABOPHKNFEQ-SFHVURJKSA-N 1 2 315.392 2.599 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000066317340 398369331 /nfs/dbraw/zinc/36/93/31/398369331.db2.gz QWHLZEBNPINLIL-AWEZNQCLSA-N 1 2 305.422 2.525 20 30 DFEDLO COc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000008065904 398368628 /nfs/dbraw/zinc/36/86/28/398368628.db2.gz IDFYGRLEUWKHIU-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000008065904 398368631 /nfs/dbraw/zinc/36/86/31/398368631.db2.gz IDFYGRLEUWKHIU-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081831108 398372801 /nfs/dbraw/zinc/37/28/01/398372801.db2.gz DBTGLXYVYGQJIS-DLBZAZTESA-N 1 2 322.412 2.831 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1ccncc1C#N)CCCC2 ZINC000592108745 398385152 /nfs/dbraw/zinc/38/51/52/398385152.db2.gz QZRMKSNBQYOXHB-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO CCC(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000580820993 398385873 /nfs/dbraw/zinc/38/58/73/398385873.db2.gz KEAHKRXPRIXAGA-ZDUSSCGKSA-N 1 2 324.808 2.518 20 30 DFEDLO CCC(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000580820993 398385869 /nfs/dbraw/zinc/38/58/69/398385869.db2.gz KEAHKRXPRIXAGA-ZDUSSCGKSA-N 1 2 324.808 2.518 20 30 DFEDLO C=CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361445 185314102 /nfs/dbraw/zinc/31/41/02/185314102.db2.gz QCMATMDKFRJQSY-CWDCEQMOSA-N 1 2 309.406 2.514 20 30 DFEDLO C=CC[N@H+](C/C=C/c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361445 185314103 /nfs/dbraw/zinc/31/41/03/185314103.db2.gz QCMATMDKFRJQSY-CWDCEQMOSA-N 1 2 309.406 2.514 20 30 DFEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361383 185314123 /nfs/dbraw/zinc/31/41/23/185314123.db2.gz ZCKRHNHPQWCBQG-MLRPBERTSA-N 1 2 305.443 2.765 20 30 DFEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361383 185314124 /nfs/dbraw/zinc/31/41/24/185314124.db2.gz ZCKRHNHPQWCBQG-MLRPBERTSA-N 1 2 305.443 2.765 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C ZINC000592141799 398391570 /nfs/dbraw/zinc/39/15/70/398391570.db2.gz HKBIYDOOQBQTFB-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO N#CCCC1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000581431416 398390563 /nfs/dbraw/zinc/39/05/63/398390563.db2.gz IWIIOIKOVZNHSI-UHFFFAOYSA-N 1 2 313.392 2.506 20 30 DFEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1C ZINC000592141799 398391573 /nfs/dbraw/zinc/39/15/73/398391573.db2.gz HKBIYDOOQBQTFB-IBGZPJMESA-N 1 2 319.408 2.540 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000581887262 398394063 /nfs/dbraw/zinc/39/40/63/398394063.db2.gz KLHURTZFFCOXJD-KRWDZBQOSA-N 1 2 313.357 2.646 20 30 DFEDLO N#Cc1csc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000084167472 398394826 /nfs/dbraw/zinc/39/48/26/398394826.db2.gz MEFPBZBUXFPPDV-UHFFFAOYSA-N 1 2 317.439 2.639 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cncc(C#N)n1 ZINC000584713591 398401125 /nfs/dbraw/zinc/40/11/25/398401125.db2.gz NHBVIAKYKAUAOR-OAHLLOKOSA-N 1 2 318.384 2.675 20 30 DFEDLO Cc1nnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(C#N)c1C ZINC000085689321 398416665 /nfs/dbraw/zinc/41/66/65/398416665.db2.gz CZAFUXLNVUKWEW-UHFFFAOYSA-N 1 2 310.336 2.635 20 30 DFEDLO Cc1cc(C)cc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000596455376 398417141 /nfs/dbraw/zinc/41/71/41/398417141.db2.gz WRTQKTVVQMHORX-UHFFFAOYSA-N 1 2 306.373 2.969 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000592432782 398425318 /nfs/dbraw/zinc/42/53/18/398425318.db2.gz SLPSZXNPYCSKPE-SMDDNHRTSA-N 1 2 311.307 2.772 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2ccc(O)cc21 ZINC000596489267 398427811 /nfs/dbraw/zinc/42/78/11/398427811.db2.gz RPMVGBCWEPTCOM-OAHLLOKOSA-N 1 2 320.356 2.545 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000592523056 398440894 /nfs/dbraw/zinc/44/08/94/398440894.db2.gz VHFCBRXBQNWBNU-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000592523056 398440898 /nfs/dbraw/zinc/44/08/98/398440898.db2.gz VHFCBRXBQNWBNU-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO COc1ncncc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000592504573 398436356 /nfs/dbraw/zinc/43/63/56/398436356.db2.gz IUJHQSOKIUGHQJ-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ncncc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000592504573 398436357 /nfs/dbraw/zinc/43/63/57/398436357.db2.gz IUJHQSOKIUGHQJ-DLBZAZTESA-N 1 2 308.385 2.757 20 30 DFEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718778 398441731 /nfs/dbraw/zinc/44/17/31/398441731.db2.gz XVSZYXHVSLDWPJ-HXUWFJFHSA-N 1 2 322.408 2.712 20 30 DFEDLO N#Cc1ccccc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718778 398441733 /nfs/dbraw/zinc/44/17/33/398441733.db2.gz XVSZYXHVSLDWPJ-HXUWFJFHSA-N 1 2 322.408 2.712 20 30 DFEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000083250236 192369065 /nfs/dbraw/zinc/36/90/65/192369065.db2.gz LZARZZFDMSISMC-CQSZACIVSA-N 1 2 321.446 2.695 20 30 DFEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000083250236 192369067 /nfs/dbraw/zinc/36/90/67/192369067.db2.gz LZARZZFDMSISMC-CQSZACIVSA-N 1 2 321.446 2.695 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000586777299 398456953 /nfs/dbraw/zinc/45/69/53/398456953.db2.gz KQFCHDGJQLFGBC-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000586777299 398456954 /nfs/dbraw/zinc/45/69/54/398456954.db2.gz KQFCHDGJQLFGBC-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO COc1ccc([C@@H](NC[C@@H](C#N)CCC#N)c2[nH+]ccn2C)cc1 ZINC000028693495 398475428 /nfs/dbraw/zinc/47/54/28/398475428.db2.gz IUCZMNNOWVXHNJ-RHSMWYFYSA-N 1 2 323.400 2.551 20 30 DFEDLO COc1cccc([C@@H](Nc2ccc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000028743289 398475935 /nfs/dbraw/zinc/47/59/35/398475935.db2.gz CXNOKOKWHCRWGY-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO N#Cc1ccc(CCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000596672473 398476782 /nfs/dbraw/zinc/47/67/82/398476782.db2.gz JRVFAAWMMOPCFA-MRXNPFEDSA-N 1 2 323.400 2.761 20 30 DFEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@]3(C#N)CC34CCCC4)cn21 ZINC000592745560 398479696 /nfs/dbraw/zinc/47/96/96/398479696.db2.gz JKYYLTJBRQCKGK-IBGZPJMESA-N 1 2 322.412 2.776 20 30 DFEDLO N#CCCCCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000588156415 398485158 /nfs/dbraw/zinc/48/51/58/398485158.db2.gz FXQZAGRZGFUWIK-UHFFFAOYSA-N 1 2 315.417 2.931 20 30 DFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCCCCC#N ZINC000588161822 398486145 /nfs/dbraw/zinc/48/61/45/398486145.db2.gz XSMXGIFNSBZNKC-UHFFFAOYSA-N 1 2 316.405 2.639 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000297360789 398491095 /nfs/dbraw/zinc/49/10/95/398491095.db2.gz OUAVRIKGLWXOLJ-UKRRQHHQSA-N 1 2 320.437 2.542 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000090631573 398490336 /nfs/dbraw/zinc/49/03/36/398490336.db2.gz RSFJIOPOOHIOHB-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000091064716 398507252 /nfs/dbraw/zinc/50/72/52/398507252.db2.gz VRNRSNLHVJIHDT-UHFFFAOYSA-N 1 2 308.385 2.526 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000091076336 398508211 /nfs/dbraw/zinc/50/82/11/398508211.db2.gz YWWMZNJOIDDLOM-KXBFYZLASA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000091076336 398508215 /nfs/dbraw/zinc/50/82/15/398508215.db2.gz YWWMZNJOIDDLOM-KXBFYZLASA-N 1 2 324.428 2.645 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592953648 398511171 /nfs/dbraw/zinc/51/11/71/398511171.db2.gz XEELRQJCWVGDRQ-CRAIPNDOSA-N 1 2 320.396 2.511 20 30 DFEDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593010046 398518765 /nfs/dbraw/zinc/51/87/65/398518765.db2.gz FNNTWKWBAXTAPS-OAHLLOKOSA-N 1 2 311.345 2.537 20 30 DFEDLO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593010046 398518768 /nfs/dbraw/zinc/51/87/68/398518768.db2.gz FNNTWKWBAXTAPS-OAHLLOKOSA-N 1 2 311.345 2.537 20 30 DFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000593021389 398522281 /nfs/dbraw/zinc/52/22/81/398522281.db2.gz YUBDZBKTMWGIJE-UHFFFAOYSA-N 1 2 304.397 2.990 20 30 DFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000593021389 398522284 /nfs/dbraw/zinc/52/22/84/398522284.db2.gz YUBDZBKTMWGIJE-UHFFFAOYSA-N 1 2 304.397 2.990 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596900609 398525644 /nfs/dbraw/zinc/52/56/44/398525644.db2.gz RITBNVLBKMRPNM-AWEZNQCLSA-N 1 2 324.384 2.743 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3ccccc3C#N)n2)C1 ZINC000272639799 210043153 /nfs/dbraw/zinc/04/31/53/210043153.db2.gz LLKGVDKSIAWQJB-WAVCKPEOSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3ccccc3C#N)n2)C1 ZINC000272639799 210043156 /nfs/dbraw/zinc/04/31/56/210043156.db2.gz LLKGVDKSIAWQJB-WAVCKPEOSA-N 1 2 324.384 2.893 20 30 DFEDLO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1[nH+]ccn1C ZINC000596937886 398532869 /nfs/dbraw/zinc/53/28/69/398532869.db2.gz RBFVMLBQBRMIKZ-ZDUSSCGKSA-N 1 2 323.400 2.727 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058795 398533661 /nfs/dbraw/zinc/53/36/61/398533661.db2.gz OSXYNPLHLFVYLP-AWEZNQCLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058795 398533665 /nfs/dbraw/zinc/53/36/65/398533665.db2.gz OSXYNPLHLFVYLP-AWEZNQCLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593059366 398535047 /nfs/dbraw/zinc/53/50/47/398535047.db2.gz PNEACHVPHMLTBO-AWEZNQCLSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593059366 398535049 /nfs/dbraw/zinc/53/50/49/398535049.db2.gz PNEACHVPHMLTBO-AWEZNQCLSA-N 1 2 316.401 2.734 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597018113 398548987 /nfs/dbraw/zinc/54/89/87/398548987.db2.gz BLFUFKGFMXLKOX-INIZCTEOSA-N 1 2 307.401 2.707 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597018113 398548990 /nfs/dbraw/zinc/54/89/90/398548990.db2.gz BLFUFKGFMXLKOX-INIZCTEOSA-N 1 2 307.401 2.707 20 30 DFEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123053 398552319 /nfs/dbraw/zinc/55/23/19/398552319.db2.gz HCNIXYDHQYCAMF-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123053 398552320 /nfs/dbraw/zinc/55/23/20/398552320.db2.gz HCNIXYDHQYCAMF-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000593125350 398552252 /nfs/dbraw/zinc/55/22/52/398552252.db2.gz MDFMNISDSRMQAY-OAHLLOKOSA-N 1 2 314.410 2.513 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000593125350 398552255 /nfs/dbraw/zinc/55/22/55/398552255.db2.gz MDFMNISDSRMQAY-OAHLLOKOSA-N 1 2 314.410 2.513 20 30 DFEDLO Cn1c2ccc(NC(=O)c3cccc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000589465668 398555514 /nfs/dbraw/zinc/55/55/14/398555514.db2.gz GJNIHANVERBNRW-UHFFFAOYSA-N 1 2 317.352 2.970 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000589487618 398556265 /nfs/dbraw/zinc/55/62/65/398556265.db2.gz YGLANWSSQLSTJH-LJQANCHMSA-N 1 2 322.412 2.626 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000597089964 398565403 /nfs/dbraw/zinc/56/54/03/398565403.db2.gz YRUUHJSRNGGOCL-INIZCTEOSA-N 1 2 300.402 2.919 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000280564897 334968283 /nfs/dbraw/zinc/96/82/83/334968283.db2.gz GCKMQFIDETWXOT-BZSNNMDCSA-N 1 2 317.429 2.650 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000597184033 398584008 /nfs/dbraw/zinc/58/40/08/398584008.db2.gz RLIMLGQLTXFMDW-UHFFFAOYSA-N 1 2 323.425 2.818 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000597184033 398584011 /nfs/dbraw/zinc/58/40/11/398584011.db2.gz RLIMLGQLTXFMDW-UHFFFAOYSA-N 1 2 323.425 2.818 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597200483 398589407 /nfs/dbraw/zinc/58/94/07/398589407.db2.gz YCTABCKWMSWWRZ-WCQYABFASA-N 1 2 317.345 2.538 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000597206106 398590136 /nfs/dbraw/zinc/59/01/36/398590136.db2.gz LNPJWTVKSYHTTJ-STQMWFEESA-N 1 2 321.371 2.595 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000597206106 398590137 /nfs/dbraw/zinc/59/01/37/398590137.db2.gz LNPJWTVKSYHTTJ-STQMWFEESA-N 1 2 321.371 2.595 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cscc2Cl)CC1 ZINC000590052713 398592772 /nfs/dbraw/zinc/59/27/72/398592772.db2.gz HQEGRGCPGAKPOE-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093100219 398619060 /nfs/dbraw/zinc/61/90/60/398619060.db2.gz YVGWOAWHOJUUQY-UHFFFAOYSA-N 1 2 312.373 2.631 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093100219 398619062 /nfs/dbraw/zinc/61/90/62/398619062.db2.gz YVGWOAWHOJUUQY-UHFFFAOYSA-N 1 2 312.373 2.631 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351188679 398622143 /nfs/dbraw/zinc/62/21/43/398622143.db2.gz WPCJHWPSVMNYKA-SJKOYZFVSA-N 1 2 305.341 2.783 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1c(C)nn(C)c1C ZINC000072692701 398630904 /nfs/dbraw/zinc/63/09/04/398630904.db2.gz UDXSFVPODFOWBZ-UHFFFAOYSA-N 1 2 319.453 2.627 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1c(C)nn(C)c1C ZINC000072692701 398630907 /nfs/dbraw/zinc/63/09/07/398630907.db2.gz UDXSFVPODFOWBZ-UHFFFAOYSA-N 1 2 319.453 2.627 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)C(=O)OCC)cc(OC)c1O ZINC000093323329 398630920 /nfs/dbraw/zinc/63/09/20/398630920.db2.gz WUAJNNQOLACRMN-LBPRGKRZSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)C(=O)OCC)cc(OC)c1O ZINC000093323329 398630921 /nfs/dbraw/zinc/63/09/21/398630921.db2.gz WUAJNNQOLACRMN-LBPRGKRZSA-N 1 2 307.390 2.513 20 30 DFEDLO Oc1ccccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000152498561 186079184 /nfs/dbraw/zinc/07/91/84/186079184.db2.gz BVXUQYMJTOAIKU-UHFFFAOYSA-N 1 2 310.372 2.705 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000597420516 398638106 /nfs/dbraw/zinc/63/81/06/398638106.db2.gz FQKCLOKYUAJDEQ-HUUCEWRRSA-N 1 2 308.385 2.676 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000597420516 398638110 /nfs/dbraw/zinc/63/81/10/398638110.db2.gz FQKCLOKYUAJDEQ-HUUCEWRRSA-N 1 2 308.385 2.676 20 30 DFEDLO Cc1csc(NC(=O)N(C)CCCn2cc[nH+]c2)c1C#N ZINC000590605596 398638394 /nfs/dbraw/zinc/63/83/94/398638394.db2.gz POFDKRGFRYHMAS-UHFFFAOYSA-N 1 2 303.391 2.679 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)CC#N ZINC000597437405 398640381 /nfs/dbraw/zinc/64/03/81/398640381.db2.gz VEFMSVAGTOIATC-ZFWWWQNUSA-N 1 2 310.401 2.886 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440264 398641371 /nfs/dbraw/zinc/64/13/71/398641371.db2.gz FJEFAEHBCWHRGR-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440264 398641373 /nfs/dbraw/zinc/64/13/73/398641373.db2.gz FJEFAEHBCWHRGR-ONERCXAPSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000593534867 398653275 /nfs/dbraw/zinc/65/32/75/398653275.db2.gz GFHVYJNYOHSMPL-ZDUSSCGKSA-N 1 2 305.809 2.534 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(C(F)(F)F)c(C#N)c1)C2 ZINC000361581879 282778166 /nfs/dbraw/zinc/77/81/66/282778166.db2.gz HMDGIFLUOUPBLL-UHFFFAOYSA-N 1 2 306.291 2.873 20 30 DFEDLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Br ZINC000397761499 398682634 /nfs/dbraw/zinc/68/26/34/398682634.db2.gz RTXFUAGJQNJKRP-NSHDSACASA-N 1 2 311.227 2.617 20 30 DFEDLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1Br ZINC000397761499 398682636 /nfs/dbraw/zinc/68/26/36/398682636.db2.gz RTXFUAGJQNJKRP-NSHDSACASA-N 1 2 311.227 2.617 20 30 DFEDLO C#C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000281230851 334978071 /nfs/dbraw/zinc/97/80/71/334978071.db2.gz FIXJQOQYOPBXBS-AWEZNQCLSA-N 1 2 320.462 2.908 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000590859187 398687966 /nfs/dbraw/zinc/68/79/66/398687966.db2.gz DKPNBCHQIIOYDI-AWEZNQCLSA-N 1 2 323.400 2.790 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597784544 398695285 /nfs/dbraw/zinc/69/52/85/398695285.db2.gz HPYYDYMKEBZOGE-ZBFHGGJFSA-N 1 2 320.396 2.580 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597784544 398695286 /nfs/dbraw/zinc/69/52/86/398695286.db2.gz HPYYDYMKEBZOGE-ZBFHGGJFSA-N 1 2 320.396 2.580 20 30 DFEDLO CC[N@H+](Cc1nc(COC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000182076567 199383816 /nfs/dbraw/zinc/38/38/16/199383816.db2.gz OGYABTUPNBFSSH-GFCCVEGCSA-N 1 2 300.362 2.671 20 30 DFEDLO CC[N@@H+](Cc1nc(COC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000182076567 199383817 /nfs/dbraw/zinc/38/38/17/199383817.db2.gz OGYABTUPNBFSSH-GFCCVEGCSA-N 1 2 300.362 2.671 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000412839261 398697989 /nfs/dbraw/zinc/69/79/89/398697989.db2.gz LHPJMTSJAGLWAG-SJORKVTESA-N 1 2 309.413 2.749 20 30 DFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CCCCC#N)c1ccccc1 ZINC000593993895 398716228 /nfs/dbraw/zinc/71/62/28/398716228.db2.gz IEYFFOASWKENBQ-INIZCTEOSA-N 1 2 310.401 2.904 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051104 398718907 /nfs/dbraw/zinc/71/89/07/398718907.db2.gz DJKYYXMMQFBHTA-HOTGVXAUSA-N 1 2 301.386 2.568 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051104 398718910 /nfs/dbraw/zinc/71/89/10/398718910.db2.gz DJKYYXMMQFBHTA-HOTGVXAUSA-N 1 2 301.386 2.568 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597906874 398718010 /nfs/dbraw/zinc/71/80/10/398718010.db2.gz SCPOKUBRWPACEU-CQSZACIVSA-N 1 2 310.401 2.751 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000594009793 398720544 /nfs/dbraw/zinc/72/05/44/398720544.db2.gz KNJFAIXMVJCRHK-CRAIPNDOSA-N 1 2 317.433 2.790 20 30 DFEDLO N#CCc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597941511 398725060 /nfs/dbraw/zinc/72/50/60/398725060.db2.gz QVMAORMTYGTMIF-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO Cc1nn(C)c2ncc(C[N@@H+]3Cc4ccc(C#N)cc4C3)cc12 ZINC000594028273 398725680 /nfs/dbraw/zinc/72/56/80/398725680.db2.gz KWTUWHKOYCVFHV-UHFFFAOYSA-N 1 2 303.369 2.664 20 30 DFEDLO Cc1nn(C)c2ncc(C[N@H+]3Cc4ccc(C#N)cc4C3)cc12 ZINC000594028273 398725687 /nfs/dbraw/zinc/72/56/87/398725687.db2.gz KWTUWHKOYCVFHV-UHFFFAOYSA-N 1 2 303.369 2.664 20 30 DFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615585 191331111 /nfs/dbraw/zinc/33/11/11/191331111.db2.gz FDNCOCCCMRNYIY-CYBMUJFWSA-N 1 2 318.380 2.988 20 30 DFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615585 191331112 /nfs/dbraw/zinc/33/11/12/191331112.db2.gz FDNCOCCCMRNYIY-CYBMUJFWSA-N 1 2 318.380 2.988 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000598089663 398752350 /nfs/dbraw/zinc/75/23/50/398752350.db2.gz XJUMJMSCKRFUAI-FUHWJXTLSA-N 1 2 322.412 2.672 20 30 DFEDLO C=C[C@@H]([NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12)C(=O)OC ZINC000591377749 398754137 /nfs/dbraw/zinc/75/41/37/398754137.db2.gz FEKWIAAJOVRKIM-IAQYHMDHSA-N 1 2 304.365 2.566 20 30 DFEDLO Cc1csc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000133880402 283165612 /nfs/dbraw/zinc/16/56/12/283165612.db2.gz DKFJXVADKJHIBS-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000048052471 398771369 /nfs/dbraw/zinc/77/13/69/398771369.db2.gz RCJNUENDZUAKPP-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000048052471 398771374 /nfs/dbraw/zinc/77/13/74/398771374.db2.gz RCJNUENDZUAKPP-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000594245540 398773618 /nfs/dbraw/zinc/77/36/18/398773618.db2.gz GNWZXFHWGMLNHI-CYBMUJFWSA-N 1 2 301.390 2.624 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000074918582 398774965 /nfs/dbraw/zinc/77/49/65/398774965.db2.gz JFCBKIZHGBRRKP-XJKSGUPXSA-N 1 2 323.400 2.932 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccc(Cl)cc2C#N)C1 ZINC000591653041 398778590 /nfs/dbraw/zinc/77/85/90/398778590.db2.gz IJNNAMDVZQSKDP-CABCVRRESA-N 1 2 316.792 2.897 20 30 DFEDLO C[NH+](C)[C@@H](CNC(=O)CCCCC#N)c1c(F)cccc1F ZINC000594293490 398780553 /nfs/dbraw/zinc/78/05/53/398780553.db2.gz VTBUHNKIQZACMC-AWEZNQCLSA-N 1 2 309.360 2.768 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000302218124 283190004 /nfs/dbraw/zinc/19/00/04/283190004.db2.gz QKDPUYTWPYFERD-UHFFFAOYSA-N 1 2 323.356 2.578 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccccc2)c1 ZINC000591777726 398787000 /nfs/dbraw/zinc/78/70/00/398787000.db2.gz MVAGXLGHOQKFGF-IBGZPJMESA-N 1 2 309.413 2.972 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccccc2)c1 ZINC000591777726 398787001 /nfs/dbraw/zinc/78/70/01/398787001.db2.gz MVAGXLGHOQKFGF-IBGZPJMESA-N 1 2 309.413 2.972 20 30 DFEDLO CCOc1ccc([C@H](COC)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000591766496 398786221 /nfs/dbraw/zinc/78/62/21/398786221.db2.gz SVZUVLNWHXXIRS-YOEHRIQHSA-N 1 2 301.390 2.806 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(C#N)c[nH+]1 ZINC000591820206 398791306 /nfs/dbraw/zinc/79/13/06/398791306.db2.gz IAUZJHIUCJLGBP-CQSZACIVSA-N 1 2 314.339 2.653 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNc1cc(C)ncc1C#N ZINC000591818507 398791422 /nfs/dbraw/zinc/79/14/22/398791422.db2.gz JFQLNFJLIJLART-UHFFFAOYSA-N 1 2 305.385 2.708 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594406774 398793768 /nfs/dbraw/zinc/79/37/68/398793768.db2.gz MLEJLHIGFYKUNI-ZDUSSCGKSA-N 1 2 308.385 2.656 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594406774 398793771 /nfs/dbraw/zinc/79/37/71/398793771.db2.gz MLEJLHIGFYKUNI-ZDUSSCGKSA-N 1 2 308.385 2.656 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000276912807 213171518 /nfs/dbraw/zinc/17/15/18/213171518.db2.gz PKBJDWIBPBIEDI-UHFFFAOYSA-N 1 2 314.429 2.783 20 30 DFEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2Cc3ccccc3C2)C1=O ZINC000177059951 283227373 /nfs/dbraw/zinc/22/73/73/283227373.db2.gz QSRKOXKUPUBIFA-HNNXBMFYSA-N 1 2 309.394 2.741 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000049982404 398800881 /nfs/dbraw/zinc/80/08/81/398800881.db2.gz KLOBIGRNYZXFGL-MAUKXSAKSA-N 1 2 301.434 2.981 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000049982404 398800885 /nfs/dbraw/zinc/80/08/85/398800885.db2.gz KLOBIGRNYZXFGL-MAUKXSAKSA-N 1 2 301.434 2.981 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075551999 398810017 /nfs/dbraw/zinc/81/00/17/398810017.db2.gz DASYZKNVOHBQPY-HNNXBMFYSA-N 1 2 311.385 2.994 20 30 DFEDLO C#CCCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000179793491 199081345 /nfs/dbraw/zinc/08/13/45/199081345.db2.gz DQWJVPOIQRVHMI-UHFFFAOYSA-N 1 2 300.402 2.651 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213823 398835545 /nfs/dbraw/zinc/83/55/45/398835545.db2.gz XNJAKFAPXYOIMJ-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213823 398835546 /nfs/dbraw/zinc/83/55/46/398835546.db2.gz XNJAKFAPXYOIMJ-AWEZNQCLSA-N 1 2 323.234 2.888 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3ncccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052218851 398835584 /nfs/dbraw/zinc/83/55/84/398835584.db2.gz HBKFDNPGMQGQOI-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCCCCC1 ZINC000598624265 398842791 /nfs/dbraw/zinc/84/27/91/398842791.db2.gz YLXYGUSPKDWFGD-HOTGVXAUSA-N 1 2 324.465 2.779 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153760 398843606 /nfs/dbraw/zinc/84/36/06/398843606.db2.gz GBVWAPFVOWDEIM-ZWKOTPCHSA-N 1 2 324.428 2.520 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153760 398843607 /nfs/dbraw/zinc/84/36/07/398843607.db2.gz GBVWAPFVOWDEIM-ZWKOTPCHSA-N 1 2 324.428 2.520 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000076153574 398843941 /nfs/dbraw/zinc/84/39/41/398843941.db2.gz KXGQZPFEMZNTEH-HZPDHXFCSA-N 1 2 310.353 2.617 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000076153574 398843944 /nfs/dbraw/zinc/84/39/44/398843944.db2.gz KXGQZPFEMZNTEH-HZPDHXFCSA-N 1 2 310.353 2.617 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594708691 398845885 /nfs/dbraw/zinc/84/58/85/398845885.db2.gz BQMPCKXLACHYLL-YPMHNXCESA-N 1 2 303.328 2.910 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cscn1 ZINC000594710591 398846502 /nfs/dbraw/zinc/84/65/02/398846502.db2.gz JGJIPYQOHQRUHE-MNOVXSKESA-N 1 2 300.387 2.693 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000180269232 199139807 /nfs/dbraw/zinc/13/98/07/199139807.db2.gz XLKHRKYACYHXGQ-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000180269232 199139808 /nfs/dbraw/zinc/13/98/08/199139808.db2.gz XLKHRKYACYHXGQ-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cscn1 ZINC000594710329 398846771 /nfs/dbraw/zinc/84/67/71/398846771.db2.gz HXXXZXAUOHATNG-MNOVXSKESA-N 1 2 300.387 2.693 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cscn1 ZINC000594712062 398847404 /nfs/dbraw/zinc/84/74/04/398847404.db2.gz PKAIRLPEAFKFHS-ONGXEEELSA-N 1 2 318.427 2.532 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000594734391 398850946 /nfs/dbraw/zinc/85/09/46/398850946.db2.gz ZKUIJBICJKWZKM-AWEZNQCLSA-N 1 2 318.421 2.868 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000594734391 398850949 /nfs/dbraw/zinc/85/09/49/398850949.db2.gz ZKUIJBICJKWZKM-AWEZNQCLSA-N 1 2 318.421 2.868 20 30 DFEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000076402301 398854391 /nfs/dbraw/zinc/85/43/91/398854391.db2.gz IXOGBHPMIVSHQW-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000076402301 398854393 /nfs/dbraw/zinc/85/43/93/398854393.db2.gz IXOGBHPMIVSHQW-CQSZACIVSA-N 1 2 321.808 2.651 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000598836285 398881653 /nfs/dbraw/zinc/88/16/53/398881653.db2.gz FMPVQVPUMCBOIZ-AOIWGVFYSA-N 1 2 313.445 2.605 20 30 DFEDLO Cc1cc(C[N@H+]2Cc3ccccc3N(C)C(=O)C2)ccc1C#N ZINC000598934688 398894245 /nfs/dbraw/zinc/89/42/45/398894245.db2.gz BABRJPYCDYVAPQ-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO Cc1cc(C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)ccc1C#N ZINC000598934688 398894249 /nfs/dbraw/zinc/89/42/49/398894249.db2.gz BABRJPYCDYVAPQ-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000598950767 398896636 /nfs/dbraw/zinc/89/66/36/398896636.db2.gz USQJNSJNGZTHJR-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1cccc(C#N)c1 ZINC000598950767 398896633 /nfs/dbraw/zinc/89/66/33/398896633.db2.gz USQJNSJNGZTHJR-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C=CCCSCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000595059066 398899554 /nfs/dbraw/zinc/89/95/54/398899554.db2.gz KPDLLEPKOXUHLN-CQSZACIVSA-N 1 2 306.410 2.932 20 30 DFEDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186784312 200010268 /nfs/dbraw/zinc/01/02/68/200010268.db2.gz AQMRIHHTGFVVTL-CYBMUJFWSA-N 1 2 305.809 2.560 20 30 DFEDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186784312 200010270 /nfs/dbraw/zinc/01/02/70/200010270.db2.gz AQMRIHHTGFVVTL-CYBMUJFWSA-N 1 2 305.809 2.560 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000187701359 200147074 /nfs/dbraw/zinc/14/70/74/200147074.db2.gz AQXAIVMASKJDRT-UONOGXRCSA-N 1 2 314.458 2.728 20 30 DFEDLO C=CC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000189186856 200360712 /nfs/dbraw/zinc/36/07/12/200360712.db2.gz PHTFRWRBBFRAOV-JZXOWHBKSA-N 1 2 316.445 2.572 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC000292390873 223044127 /nfs/dbraw/zinc/04/41/27/223044127.db2.gz ZUDRBPHKYCIUGZ-NSHDSACASA-N 1 2 320.805 2.716 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)nc1 ZINC000292390873 223044132 /nfs/dbraw/zinc/04/41/32/223044132.db2.gz ZUDRBPHKYCIUGZ-NSHDSACASA-N 1 2 320.805 2.716 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCC#N)CCC(C)C)CC2 ZINC000599325797 398954362 /nfs/dbraw/zinc/95/43/62/398954362.db2.gz LOSAFTVOMQEHSP-OAHLLOKOSA-N 1 2 302.422 2.542 20 30 DFEDLO C=CCCSCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000595513240 398954757 /nfs/dbraw/zinc/95/47/57/398954757.db2.gz SXUABABDKMYBSL-UHFFFAOYSA-N 1 2 318.446 2.751 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000599349911 398958535 /nfs/dbraw/zinc/95/85/35/398958535.db2.gz LUKNBJKLWCJDSO-AWEZNQCLSA-N 1 2 302.422 2.542 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000281387489 216266956 /nfs/dbraw/zinc/26/69/56/216266956.db2.gz MTVTVZHQFQXUOX-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000281387489 216266960 /nfs/dbraw/zinc/26/69/60/216266960.db2.gz MTVTVZHQFQXUOX-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611573 398999580 /nfs/dbraw/zinc/99/95/80/398999580.db2.gz LIYBYUFQPKCLLO-RYUDHWBXSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611573 398999586 /nfs/dbraw/zinc/99/95/86/398999586.db2.gz LIYBYUFQPKCLLO-RYUDHWBXSA-N 1 2 307.344 2.917 20 30 DFEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613916 399000416 /nfs/dbraw/zinc/00/04/16/399000416.db2.gz FRNIPNUOLLCSSF-CQSZACIVSA-N 1 2 301.390 2.649 20 30 DFEDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613916 399000422 /nfs/dbraw/zinc/00/04/22/399000422.db2.gz FRNIPNUOLLCSSF-CQSZACIVSA-N 1 2 301.390 2.649 20 30 DFEDLO C[C@@]1(C2CC2)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000595617241 399002953 /nfs/dbraw/zinc/00/29/53/399002953.db2.gz HHNSKOAWCWVDAJ-SFHVURJKSA-N 1 2 324.384 2.609 20 30 DFEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000595617241 399002957 /nfs/dbraw/zinc/00/29/57/399002957.db2.gz HHNSKOAWCWVDAJ-SFHVURJKSA-N 1 2 324.384 2.609 20 30 DFEDLO COCC#CC[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595613178 399001172 /nfs/dbraw/zinc/00/11/72/399001172.db2.gz ISTLNPDAVQMEAF-QGZVFWFLSA-N 1 2 315.413 2.577 20 30 DFEDLO COCC#CC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595613178 399001179 /nfs/dbraw/zinc/00/11/79/399001179.db2.gz ISTLNPDAVQMEAF-QGZVFWFLSA-N 1 2 315.413 2.577 20 30 DFEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614887 399001419 /nfs/dbraw/zinc/00/14/19/399001419.db2.gz JAVTWJJEFUKUIG-CHWSQXEVSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614887 399001426 /nfs/dbraw/zinc/00/14/26/399001426.db2.gz JAVTWJJEFUKUIG-CHWSQXEVSA-N 1 2 316.361 2.547 20 30 DFEDLO COc1ncc(Br)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614555 399001542 /nfs/dbraw/zinc/00/15/42/399001542.db2.gz DOGSXCMCFRYJFV-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO COc1ncc(Br)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614555 399001549 /nfs/dbraw/zinc/00/15/49/399001549.db2.gz DOGSXCMCFRYJFV-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000595619480 399004783 /nfs/dbraw/zinc/00/47/83/399004783.db2.gz BSTOQJXOEYSKRN-AWEZNQCLSA-N 1 2 324.421 2.615 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000595619480 399004784 /nfs/dbraw/zinc/00/47/84/399004784.db2.gz BSTOQJXOEYSKRN-AWEZNQCLSA-N 1 2 324.421 2.615 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621734 399006369 /nfs/dbraw/zinc/00/63/69/399006369.db2.gz YANPJJLEQRXWRU-DGCLKSJQSA-N 1 2 306.435 2.713 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621734 399006374 /nfs/dbraw/zinc/00/63/74/399006374.db2.gz YANPJJLEQRXWRU-DGCLKSJQSA-N 1 2 306.435 2.713 20 30 DFEDLO CCc1nc(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000595630009 399010685 /nfs/dbraw/zinc/01/06/85/399010685.db2.gz QQBVGQVFNHODNO-UHFFFAOYSA-N 1 2 316.430 2.801 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)COC ZINC000595639001 399014599 /nfs/dbraw/zinc/01/45/99/399014599.db2.gz QSNQJHKSDSZMSK-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)COC ZINC000595639001 399014606 /nfs/dbraw/zinc/01/46/06/399014606.db2.gz QSNQJHKSDSZMSK-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)COC ZINC000595648308 399018458 /nfs/dbraw/zinc/01/84/58/399018458.db2.gz SKWXBVOURDVRAH-CYBMUJFWSA-N 1 2 312.373 2.631 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)COC ZINC000595648308 399018461 /nfs/dbraw/zinc/01/84/61/399018461.db2.gz SKWXBVOURDVRAH-CYBMUJFWSA-N 1 2 312.373 2.631 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000255162854 283858695 /nfs/dbraw/zinc/85/86/95/283858695.db2.gz FWVNXXYVWNWYJM-HJWRWDBZSA-N 1 2 306.369 2.585 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595690201 399036665 /nfs/dbraw/zinc/03/66/65/399036665.db2.gz AFTGSONMQLLEKP-WCQYABFASA-N 1 2 321.808 2.959 20 30 DFEDLO CCOc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595694078 399037716 /nfs/dbraw/zinc/03/77/16/399037716.db2.gz WVQGLBLAXVSOBA-KGLIPLIRSA-N 1 2 301.390 2.696 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1cc(F)ccc1F ZINC000595694634 399039671 /nfs/dbraw/zinc/03/96/71/399039671.db2.gz ZUPVCVPEMUFUID-MISXGVKJSA-N 1 2 307.344 2.964 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000595702491 399046294 /nfs/dbraw/zinc/04/62/94/399046294.db2.gz KLNABEDEEIIYHT-NEPJUHHUSA-N 1 2 318.446 2.632 20 30 DFEDLO CCc1nc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)sc1C ZINC000595702500 399046327 /nfs/dbraw/zinc/04/63/27/399046327.db2.gz KLSLHTDQNUKXBH-WCQYABFASA-N 1 2 306.435 2.624 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000057551994 399049077 /nfs/dbraw/zinc/04/90/77/399049077.db2.gz LHIDUCRALWGCIV-CQSZACIVSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000057551994 399049086 /nfs/dbraw/zinc/04/90/86/399049086.db2.gz LHIDUCRALWGCIV-CQSZACIVSA-N 1 2 303.406 2.751 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000599666566 399052233 /nfs/dbraw/zinc/05/22/33/399052233.db2.gz NPXODKHELSJVGQ-INIZCTEOSA-N 1 2 312.394 2.892 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000599666566 399052235 /nfs/dbraw/zinc/05/22/35/399052235.db2.gz NPXODKHELSJVGQ-INIZCTEOSA-N 1 2 312.394 2.892 20 30 DFEDLO C[C@H](C#N)[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C1CC1 ZINC000595714676 399051363 /nfs/dbraw/zinc/05/13/63/399051363.db2.gz YBMFRBAOPPBIHP-OAHLLOKOSA-N 1 2 324.432 2.887 20 30 DFEDLO C[C@H](C#N)[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)C1CC1 ZINC000595714676 399051368 /nfs/dbraw/zinc/05/13/68/399051368.db2.gz YBMFRBAOPPBIHP-OAHLLOKOSA-N 1 2 324.432 2.887 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000599663820 399051669 /nfs/dbraw/zinc/05/16/69/399051669.db2.gz KLLJNKUVXMSKGU-AWEZNQCLSA-N 1 2 323.400 2.696 20 30 DFEDLO CCCC[C@H](C(=O)OC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679032 399058224 /nfs/dbraw/zinc/05/82/24/399058224.db2.gz OBHCMVQNVKODSL-QGZVFWFLSA-N 1 2 300.402 2.843 20 30 DFEDLO CCCC[C@H](C(=O)OC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679032 399058231 /nfs/dbraw/zinc/05/82/31/399058231.db2.gz OBHCMVQNVKODSL-QGZVFWFLSA-N 1 2 300.402 2.843 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679423 399058717 /nfs/dbraw/zinc/05/87/17/399058717.db2.gz RSIRIYRLJYNOBL-CYBMUJFWSA-N 1 2 300.402 2.841 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679423 399058723 /nfs/dbraw/zinc/05/87/23/399058723.db2.gz RSIRIYRLJYNOBL-CYBMUJFWSA-N 1 2 300.402 2.841 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000599679057 399058755 /nfs/dbraw/zinc/05/87/55/399058755.db2.gz OOVHJHCDFHNSTG-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(-c3ccoc3)no1)C2 ZINC000599679057 399058761 /nfs/dbraw/zinc/05/87/61/399058761.db2.gz OOVHJHCDFHNSTG-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000599710598 399072392 /nfs/dbraw/zinc/07/23/92/399072392.db2.gz JRTSNWMVAWZEEQ-IAGOWNOFSA-N 1 2 322.412 2.915 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC23CCOCC3)c1C#N ZINC000618318434 399081613 /nfs/dbraw/zinc/08/16/13/399081613.db2.gz ZZKMSBNLBMAYJR-UHFFFAOYSA-N 1 2 322.412 2.807 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC23CCOCC3)c1C#N ZINC000618318434 399081623 /nfs/dbraw/zinc/08/16/23/399081623.db2.gz ZZKMSBNLBMAYJR-UHFFFAOYSA-N 1 2 322.412 2.807 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000595784934 399083549 /nfs/dbraw/zinc/08/35/49/399083549.db2.gz KPFRGQNGQNMBKQ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000595784934 399083555 /nfs/dbraw/zinc/08/35/55/399083555.db2.gz KPFRGQNGQNMBKQ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000595789896 399086061 /nfs/dbraw/zinc/08/60/61/399086061.db2.gz YJWKZLNQMHCXNK-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595789896 399086066 /nfs/dbraw/zinc/08/60/66/399086066.db2.gz YJWKZLNQMHCXNK-OLZOCXBDSA-N 1 2 320.355 2.739 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H](C)C#N ZINC000595811280 399094827 /nfs/dbraw/zinc/09/48/27/399094827.db2.gz AIISYHFELFOBRW-LLVKDONJSA-N 1 2 309.797 2.911 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H](C)C#N ZINC000595811280 399094833 /nfs/dbraw/zinc/09/48/33/399094833.db2.gz AIISYHFELFOBRW-LLVKDONJSA-N 1 2 309.797 2.911 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595814508 399095304 /nfs/dbraw/zinc/09/53/04/399095304.db2.gz AJPOXWZGMQLDCO-UHFFFAOYSA-N 1 2 313.357 2.802 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834229 399105538 /nfs/dbraw/zinc/10/55/38/399105538.db2.gz HSISLAICLGDKPX-LJQANCHMSA-N 1 2 313.445 2.704 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834229 399105541 /nfs/dbraw/zinc/10/55/41/399105541.db2.gz HSISLAICLGDKPX-LJQANCHMSA-N 1 2 313.445 2.704 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000595838207 399106826 /nfs/dbraw/zinc/10/68/26/399106826.db2.gz SHLLJQGGDXFYNO-MRXNPFEDSA-N 1 2 322.792 2.741 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000595838207 399106831 /nfs/dbraw/zinc/10/68/31/399106831.db2.gz SHLLJQGGDXFYNO-MRXNPFEDSA-N 1 2 322.792 2.741 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842514 399109542 /nfs/dbraw/zinc/10/95/42/399109542.db2.gz FEPPWBUOIJPQNX-CZUORRHYSA-N 1 2 308.809 2.624 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842514 399109546 /nfs/dbraw/zinc/10/95/46/399109546.db2.gz FEPPWBUOIJPQNX-CZUORRHYSA-N 1 2 308.809 2.624 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512479 193262190 /nfs/dbraw/zinc/26/21/90/193262190.db2.gz YRBQHVWSYWNFKR-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000093512479 193262192 /nfs/dbraw/zinc/26/21/92/193262192.db2.gz YRBQHVWSYWNFKR-QGZVFWFLSA-N 1 2 309.369 2.779 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COC)C2)cc1Cl ZINC000093528272 193263978 /nfs/dbraw/zinc/26/39/78/193263978.db2.gz NNZFXFOCTBKFMV-AWEZNQCLSA-N 1 2 311.809 2.752 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COC)C2)cc1Cl ZINC000093528272 193263980 /nfs/dbraw/zinc/26/39/80/193263980.db2.gz NNZFXFOCTBKFMV-AWEZNQCLSA-N 1 2 311.809 2.752 20 30 DFEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccs4)CC3)n2c1 ZINC000093692118 193291115 /nfs/dbraw/zinc/29/11/15/193291115.db2.gz HUXDOJSKECTNEL-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC)CC2)c1C ZINC000060485494 399132785 /nfs/dbraw/zinc/13/27/85/399132785.db2.gz NGHBBQIPXYVTJU-UHFFFAOYSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000606986469 399134276 /nfs/dbraw/zinc/13/42/76/399134276.db2.gz XMZGJSQCXMBUDA-ZDUSSCGKSA-N 1 2 300.406 2.863 20 30 DFEDLO C[C@@]1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCS1 ZINC000600106050 399135787 /nfs/dbraw/zinc/13/57/87/399135787.db2.gz HMOICOBDUYXYSP-MSOLQXFVSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@@]1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCS1 ZINC000600106050 399135790 /nfs/dbraw/zinc/13/57/90/399135790.db2.gz HMOICOBDUYXYSP-MSOLQXFVSA-N 1 2 315.486 2.982 20 30 DFEDLO COC(=O)c1cnc([C@H]2CCC[N@H+](CC3(C#N)CCC3)C2)s1 ZINC000595915215 399134946 /nfs/dbraw/zinc/13/49/46/399134946.db2.gz XSNYMBHKVNXGQM-LBPRGKRZSA-N 1 2 319.430 2.803 20 30 DFEDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC3(C#N)CCC3)C2)s1 ZINC000595915215 399134951 /nfs/dbraw/zinc/13/49/51/399134951.db2.gz XSNYMBHKVNXGQM-LBPRGKRZSA-N 1 2 319.430 2.803 20 30 DFEDLO Cc1ccc([C@@H](C)CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000600106950 399137966 /nfs/dbraw/zinc/13/79/66/399137966.db2.gz OHAZAXCRRURBDT-SFHVURJKSA-N 1 2 315.461 2.646 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920966 399136786 /nfs/dbraw/zinc/13/67/86/399136786.db2.gz VQNSDRXVPKYFPQ-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920966 399136789 /nfs/dbraw/zinc/13/67/89/399136789.db2.gz VQNSDRXVPKYFPQ-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181447532 399140628 /nfs/dbraw/zinc/14/06/28/399140628.db2.gz GCVJDGWAIIAGAK-UHFFFAOYSA-N 1 2 320.396 2.633 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000614060975 399143892 /nfs/dbraw/zinc/14/38/92/399143892.db2.gz OOAVQSCZXVZJAM-JQWIXIFHSA-N 1 2 311.307 2.702 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)c(C#N)c1 ZINC000600778580 399143507 /nfs/dbraw/zinc/14/35/07/399143507.db2.gz YHMAMRINXGUVII-HNNXBMFYSA-N 1 2 320.396 2.630 20 30 DFEDLO C=C(C)[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000274883695 212008209 /nfs/dbraw/zinc/00/82/09/212008209.db2.gz ZXGRFISFXPHTMH-HNNXBMFYSA-N 1 2 320.343 2.815 20 30 DFEDLO C#CC[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1 ZINC000271678822 209121334 /nfs/dbraw/zinc/12/13/34/209121334.db2.gz ICBLHVOCNOGSHU-LJQANCHMSA-N 1 2 322.408 2.536 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000266327739 205270358 /nfs/dbraw/zinc/27/03/58/205270358.db2.gz GJHAQLJFAUDUIF-UHFFFAOYSA-N 1 2 314.364 2.624 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(F)c1 ZINC000266402088 205320420 /nfs/dbraw/zinc/32/04/20/205320420.db2.gz PPKFBBWNRLGIMP-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000614397408 399225310 /nfs/dbraw/zinc/22/53/10/399225310.db2.gz RDDWDQJEUSYCAP-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000614397408 399225315 /nfs/dbraw/zinc/22/53/15/399225315.db2.gz RDDWDQJEUSYCAP-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO COC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000267708210 206232496 /nfs/dbraw/zinc/23/24/96/206232496.db2.gz RMVQRHJPZZMAKU-MOPGFXCFSA-N 1 2 320.392 2.919 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000618981322 399269367 /nfs/dbraw/zinc/26/93/67/399269367.db2.gz RWZDZOFRXQNCIC-DZGCQCFKSA-N 1 2 322.347 2.847 20 30 DFEDLO N#CC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC2(CC2)C1 ZINC000601407422 399286937 /nfs/dbraw/zinc/28/69/37/399286937.db2.gz QUHNEZCEEDFUGL-UHFFFAOYSA-N 1 2 306.369 2.572 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000609556538 399322993 /nfs/dbraw/zinc/32/29/93/399322993.db2.gz UGMKPIGUEYAFNP-AWEZNQCLSA-N 1 2 313.336 2.763 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609624297 399327177 /nfs/dbraw/zinc/32/71/77/399327177.db2.gz JIYXFEUCZUJQFB-UHFFFAOYSA-N 1 2 304.353 2.796 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000601709722 399326187 /nfs/dbraw/zinc/32/61/87/399326187.db2.gz FILIPISVYAVGDK-HZPDHXFCSA-N 1 2 319.380 2.525 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000601709722 399326191 /nfs/dbraw/zinc/32/61/91/399326191.db2.gz FILIPISVYAVGDK-HZPDHXFCSA-N 1 2 319.380 2.525 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCc3sccc3C2)cc1 ZINC000609671902 399329664 /nfs/dbraw/zinc/32/96/64/399329664.db2.gz GNZHRBIQNYKESF-MRXNPFEDSA-N 1 2 311.410 2.595 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCc3sccc3C2)cc1 ZINC000609671902 399329667 /nfs/dbraw/zinc/32/96/67/399329667.db2.gz GNZHRBIQNYKESF-MRXNPFEDSA-N 1 2 311.410 2.595 20 30 DFEDLO CCc1ccc(CCNc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000609893669 399335847 /nfs/dbraw/zinc/33/58/47/399335847.db2.gz MWLMVLBHWGMSRR-UHFFFAOYSA-N 1 2 320.400 2.957 20 30 DFEDLO C#CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000274084583 211339650 /nfs/dbraw/zinc/33/96/50/211339650.db2.gz MEARFDLPSGOZQE-UHFFFAOYSA-N 1 2 313.426 2.500 20 30 DFEDLO Cn1c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2sc1=O ZINC000619428820 399343919 /nfs/dbraw/zinc/34/39/19/399343919.db2.gz WYISSPZMZXXQII-MRXNPFEDSA-N 1 2 301.415 2.726 20 30 DFEDLO Cn1c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2sc1=O ZINC000619428820 399343920 /nfs/dbraw/zinc/34/39/20/399343920.db2.gz WYISSPZMZXXQII-MRXNPFEDSA-N 1 2 301.415 2.726 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2n1C ZINC000619434904 399345957 /nfs/dbraw/zinc/34/59/57/399345957.db2.gz IJBWXMRSEDNSAF-UHFFFAOYSA-N 1 2 322.343 2.823 20 30 DFEDLO Cc1cccc([C@H](CNc2cccnc2C#N)[NH+]2CCOCC2)c1 ZINC000273913740 211168129 /nfs/dbraw/zinc/16/81/29/211168129.db2.gz AULHREYFQPGLNS-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@@]1(c2ccccc2)C[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280384 399353319 /nfs/dbraw/zinc/35/33/19/399353319.db2.gz ODGPTRSCZPLTFT-QAPCUYQASA-N 1 2 318.384 2.882 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000619500909 399354714 /nfs/dbraw/zinc/35/47/14/399354714.db2.gz QGEKOSPQYSHMFE-KOLCDFICSA-N 1 2 324.310 2.517 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410217 399365154 /nfs/dbraw/zinc/36/51/54/399365154.db2.gz ITMQKHBEHBKPLQ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410217 399365157 /nfs/dbraw/zinc/36/51/57/399365157.db2.gz ITMQKHBEHBKPLQ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000610454979 399369768 /nfs/dbraw/zinc/36/97/68/399369768.db2.gz HETRTFHZCRLONZ-UHFFFAOYSA-N 1 2 319.368 2.879 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505480 399375430 /nfs/dbraw/zinc/37/54/30/399375430.db2.gz MEZDPAGABYHZJX-RDJZCZTQSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505480 399375431 /nfs/dbraw/zinc/37/54/31/399375431.db2.gz MEZDPAGABYHZJX-RDJZCZTQSA-N 1 2 303.381 2.627 20 30 DFEDLO Cc1cnc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000610542238 399379259 /nfs/dbraw/zinc/37/92/59/399379259.db2.gz HGAUVCFSSOCPHX-JTQLQIEISA-N 1 2 313.390 2.678 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1ccc(Br)cc1 ZINC000619717871 399381802 /nfs/dbraw/zinc/38/18/02/399381802.db2.gz SPPXFTRVDFKECJ-CYBMUJFWSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000619717871 399381806 /nfs/dbraw/zinc/38/18/06/399381806.db2.gz SPPXFTRVDFKECJ-CYBMUJFWSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000619717071 399381827 /nfs/dbraw/zinc/38/18/27/399381827.db2.gz RAOMGYHDCUAEDP-GVDBMIGSSA-N 1 2 303.402 2.814 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000619717071 399381832 /nfs/dbraw/zinc/38/18/32/399381832.db2.gz RAOMGYHDCUAEDP-GVDBMIGSSA-N 1 2 303.402 2.814 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000619716888 399381467 /nfs/dbraw/zinc/38/14/67/399381467.db2.gz YTABISGDTYBJQT-INIZCTEOSA-N 1 2 303.402 2.874 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000619720247 399382502 /nfs/dbraw/zinc/38/25/02/399382502.db2.gz RQQSQLLVSDBQJI-INIZCTEOSA-N 1 2 307.365 2.534 20 30 DFEDLO CN(C(=O)C[NH2+]Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000602011535 399383958 /nfs/dbraw/zinc/38/39/58/399383958.db2.gz HREMMWAGARRLAM-UHFFFAOYSA-N 1 2 303.381 2.578 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000602026670 399386728 /nfs/dbraw/zinc/38/67/28/399386728.db2.gz BLGCFBDTKQMLOQ-CYBMUJFWSA-N 1 2 312.270 2.787 20 30 DFEDLO CCc1c[nH]c(CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)[nH+]1 ZINC000602084384 399392788 /nfs/dbraw/zinc/39/27/88/399392788.db2.gz HUUNXBITMIIESX-UHFFFAOYSA-N 1 2 310.401 2.823 20 30 DFEDLO CC(C)N(CCC#N)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088224 399393141 /nfs/dbraw/zinc/39/31/41/399393141.db2.gz ILZHZJKACRDLHK-NSHDSACASA-N 1 2 302.300 2.527 20 30 DFEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000110128873 194312453 /nfs/dbraw/zinc/31/24/53/194312453.db2.gz WTBSCKIKEMHBRS-UHFFFAOYSA-N 1 2 307.401 2.975 20 30 DFEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000110128873 194312456 /nfs/dbraw/zinc/31/24/56/194312456.db2.gz WTBSCKIKEMHBRS-UHFFFAOYSA-N 1 2 307.401 2.975 20 30 DFEDLO N#Cc1c(F)cccc1N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110198733 194316026 /nfs/dbraw/zinc/31/60/26/194316026.db2.gz ARFXAVQEJHIZSH-UHFFFAOYSA-N 1 2 323.375 2.691 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C#N ZINC000602121736 399397955 /nfs/dbraw/zinc/39/79/55/399397955.db2.gz ATPAPBYKQFMRKR-ZIAGYGMSSA-N 1 2 310.357 2.811 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C#N ZINC000602121736 399397959 /nfs/dbraw/zinc/39/79/59/399397959.db2.gz ATPAPBYKQFMRKR-ZIAGYGMSSA-N 1 2 310.357 2.811 20 30 DFEDLO N#CC1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCC1 ZINC000602171077 399404614 /nfs/dbraw/zinc/40/46/14/399404614.db2.gz KISVIMDARYYOSW-LLVKDONJSA-N 1 2 314.311 2.577 20 30 DFEDLO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C#N)c1ccncc1 ZINC000616139344 399424907 /nfs/dbraw/zinc/42/49/07/399424907.db2.gz ZRYWHRPOFMDADB-SFHVURJKSA-N 1 2 309.369 2.521 20 30 DFEDLO CN(CCCn1cc[nH+]c1)c1nc(C(F)(F)F)ccc1C#N ZINC000268994592 207152267 /nfs/dbraw/zinc/15/22/67/207152267.db2.gz WCOMWAHEJHQGHB-UHFFFAOYSA-N 1 2 309.295 2.695 20 30 DFEDLO Cc1oc(-c2ccccc2)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602331437 399425988 /nfs/dbraw/zinc/42/59/88/399425988.db2.gz DGIGVHHAAKOSKB-SFHVURJKSA-N 1 2 311.385 2.829 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993314 399426133 /nfs/dbraw/zinc/42/61/33/399426133.db2.gz MPSDTJKGHLZJQA-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993314 399426134 /nfs/dbraw/zinc/42/61/34/399426134.db2.gz MPSDTJKGHLZJQA-SFHVURJKSA-N 1 2 323.396 2.559 20 30 DFEDLO COc1ccc([C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1Cl ZINC000611173669 399441383 /nfs/dbraw/zinc/44/13/83/399441383.db2.gz GBLOOJQRVIRFSC-CYBMUJFWSA-N 1 2 307.825 2.941 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000611173809 399441612 /nfs/dbraw/zinc/44/16/12/399441612.db2.gz LVWTVCBVOZHMJE-UHFFFAOYSA-N 1 2 314.820 2.919 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000611348919 399464543 /nfs/dbraw/zinc/46/45/43/399464543.db2.gz SUVLVOYZVPLGTG-HNNXBMFYSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000611348919 399464545 /nfs/dbraw/zinc/46/45/45/399464545.db2.gz SUVLVOYZVPLGTG-HNNXBMFYSA-N 1 2 312.442 2.990 20 30 DFEDLO C=C(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000287689371 335046638 /nfs/dbraw/zinc/04/66/38/335046638.db2.gz IMVXGCLHVHYSOF-QGZVFWFLSA-N 1 2 322.412 2.673 20 30 DFEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1nnc2n1CCCCC2 ZINC000602526365 399467769 /nfs/dbraw/zinc/46/77/69/399467769.db2.gz JWMQDUQYLHJALF-OAHLLOKOSA-N 1 2 310.405 2.512 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000611492402 399481903 /nfs/dbraw/zinc/48/19/03/399481903.db2.gz BPYVZTYLWSQVLH-TVQRCGJNSA-N 1 2 312.200 2.990 20 30 DFEDLO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1F ZINC000611502117 399483252 /nfs/dbraw/zinc/48/32/52/399483252.db2.gz NQRRRAGWGXLXLC-GDBMZVCRSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1F ZINC000611502117 399483254 /nfs/dbraw/zinc/48/32/54/399483254.db2.gz NQRRRAGWGXLXLC-GDBMZVCRSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1F ZINC000611502351 399483263 /nfs/dbraw/zinc/48/32/63/399483263.db2.gz ROTCWXNYEXLIHD-BXUZGUMPSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1F ZINC000611502351 399483265 /nfs/dbraw/zinc/48/32/65/399483265.db2.gz ROTCWXNYEXLIHD-BXUZGUMPSA-N 1 2 300.337 2.788 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=CCC2)cc1 ZINC000611517318 399486336 /nfs/dbraw/zinc/48/63/36/399486336.db2.gz PZHOGMBCSGTMPQ-UHFFFAOYSA-N 1 2 313.401 2.594 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=CCC2)cc1 ZINC000611517318 399486338 /nfs/dbraw/zinc/48/63/38/399486338.db2.gz PZHOGMBCSGTMPQ-UHFFFAOYSA-N 1 2 313.401 2.594 20 30 DFEDLO CCc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc[nH+]1 ZINC000611541118 399490072 /nfs/dbraw/zinc/49/00/72/399490072.db2.gz YSPQYVHIXOYFMD-MRXNPFEDSA-N 1 2 321.384 2.518 20 30 DFEDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)cc1F ZINC000611589593 399497915 /nfs/dbraw/zinc/49/79/15/399497915.db2.gz QDYLBNUZYKULNZ-GFCCVEGCSA-N 1 2 314.364 2.694 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000602635656 399498303 /nfs/dbraw/zinc/49/83/03/399498303.db2.gz AUZUZCZXDWXRBU-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000602635656 399498305 /nfs/dbraw/zinc/49/83/05/399498305.db2.gz AUZUZCZXDWXRBU-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000602635653 399498648 /nfs/dbraw/zinc/49/86/48/399498648.db2.gz AUZUZCZXDWXRBU-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000602635653 399498650 /nfs/dbraw/zinc/49/86/50/399498650.db2.gz AUZUZCZXDWXRBU-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@@H]1CC[C@]2(CCN(c3[nH+]cnc4c3cnn4CCC#N)C2)C1 ZINC000611618071 399499764 /nfs/dbraw/zinc/49/97/64/399499764.db2.gz LOTAXERQKVGACQ-DYVFJYSZSA-N 1 2 310.405 2.756 20 30 DFEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000118959532 194944980 /nfs/dbraw/zinc/94/49/80/194944980.db2.gz MJHSSMZKCYUXPJ-RHSMWYFYSA-N 1 2 322.412 2.927 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)[S@@]1=O ZINC000616820405 399520120 /nfs/dbraw/zinc/52/01/20/399520120.db2.gz QMXBXOZFFWXKHZ-GFENJXEQSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)[S@@]1=O ZINC000616820405 399520122 /nfs/dbraw/zinc/52/01/22/399520122.db2.gz QMXBXOZFFWXKHZ-GFENJXEQSA-N 1 2 304.459 2.829 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(C3CC3)C3CC3)CC2)cc1 ZINC000269972547 208023702 /nfs/dbraw/zinc/02/37/02/208023702.db2.gz MCCNMZOLSVABLT-UHFFFAOYSA-N 1 2 323.440 2.639 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000602697568 399525597 /nfs/dbraw/zinc/52/55/97/399525597.db2.gz BJMJQSQIDGEROO-UHFFFAOYSA-N 1 2 318.421 2.549 20 30 DFEDLO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c(C(=O)OC(C)(C)C)n1 ZINC000602705551 399530407 /nfs/dbraw/zinc/53/04/07/399530407.db2.gz BBVVMJVVGVMEHC-OCCSQVGLSA-N 1 2 318.421 2.547 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC ZINC000602732718 399545233 /nfs/dbraw/zinc/54/52/33/399545233.db2.gz CWZMMRIXPPENDS-HIFRSBDPSA-N 1 2 321.417 2.732 20 30 DFEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000625402543 399546862 /nfs/dbraw/zinc/54/68/62/399546862.db2.gz MQEQVWIOPYRSSG-MRXNPFEDSA-N 1 2 307.821 2.817 20 30 DFEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000625402543 399546865 /nfs/dbraw/zinc/54/68/65/399546865.db2.gz MQEQVWIOPYRSSG-MRXNPFEDSA-N 1 2 307.821 2.817 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C(=O)OC ZINC000602735322 399548304 /nfs/dbraw/zinc/54/83/04/399548304.db2.gz UYCJGJCUXTUUFS-GUYCJALGSA-N 1 2 315.417 2.981 20 30 DFEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000120211949 195119729 /nfs/dbraw/zinc/11/97/29/195119729.db2.gz LQGLWARHHWLAPF-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000120211949 195119730 /nfs/dbraw/zinc/11/97/30/195119730.db2.gz LQGLWARHHWLAPF-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000602748893 399554685 /nfs/dbraw/zinc/55/46/85/399554685.db2.gz VMOTZYIPXIUAOH-UHFFFAOYSA-N 1 2 303.353 2.798 20 30 DFEDLO C#C[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(C)(C)C ZINC000288080718 335049718 /nfs/dbraw/zinc/04/97/18/335049718.db2.gz FSXJQXMWGPJAEA-HNNXBMFYSA-N 1 2 319.355 2.787 20 30 DFEDLO CC(C)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000158183335 197251537 /nfs/dbraw/zinc/25/15/37/197251537.db2.gz OAJHNOGESGZLRC-UHFFFAOYSA-N 1 2 318.848 2.882 20 30 DFEDLO CC(C)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000158183335 197251538 /nfs/dbraw/zinc/25/15/38/197251538.db2.gz OAJHNOGESGZLRC-UHFFFAOYSA-N 1 2 318.848 2.882 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000158053262 197239898 /nfs/dbraw/zinc/23/98/98/197239898.db2.gz JTURJEUGYUDWKC-GJZGRUSLSA-N 1 2 322.474 2.935 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000158053262 197239900 /nfs/dbraw/zinc/23/99/00/197239900.db2.gz JTURJEUGYUDWKC-GJZGRUSLSA-N 1 2 322.474 2.935 20 30 DFEDLO N#CCC1(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000602789514 399574775 /nfs/dbraw/zinc/57/47/75/399574775.db2.gz WNKWGHLLJGZVSL-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO N#CCC1(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000602789514 399574778 /nfs/dbraw/zinc/57/47/78/399574778.db2.gz WNKWGHLLJGZVSL-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000617040252 399585890 /nfs/dbraw/zinc/58/58/90/399585890.db2.gz RLVRMAATGVQBHC-UONOGXRCSA-N 1 2 311.389 2.527 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000156884851 197147390 /nfs/dbraw/zinc/14/73/90/197147390.db2.gz LADYGKGJRHJOTM-LSDHHAIUSA-N 1 2 309.360 2.585 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000156884851 197147392 /nfs/dbraw/zinc/14/73/92/197147392.db2.gz LADYGKGJRHJOTM-LSDHHAIUSA-N 1 2 309.360 2.585 20 30 DFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccn1 ZINC000156847364 197144758 /nfs/dbraw/zinc/14/47/58/197144758.db2.gz IUHDWONXSQKUCN-UHFFFAOYSA-N 1 2 312.373 2.624 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccn1 ZINC000156847364 197144760 /nfs/dbraw/zinc/14/47/60/197144760.db2.gz IUHDWONXSQKUCN-UHFFFAOYSA-N 1 2 312.373 2.624 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162206 399595953 /nfs/dbraw/zinc/59/59/53/399595953.db2.gz LIEWYVYHFJALAZ-SPYBWZPUSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162206 399595955 /nfs/dbraw/zinc/59/59/55/399595955.db2.gz LIEWYVYHFJALAZ-SPYBWZPUSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166825 399597088 /nfs/dbraw/zinc/59/70/88/399597088.db2.gz ZLDZWXQPXXHFFE-HNAYVOBHSA-N 1 2 311.429 2.585 20 30 DFEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166825 399597092 /nfs/dbraw/zinc/59/70/92/399597092.db2.gz ZLDZWXQPXXHFFE-HNAYVOBHSA-N 1 2 311.429 2.585 20 30 DFEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000156399021 197110325 /nfs/dbraw/zinc/11/03/25/197110325.db2.gz WKMNCIJJPPVRTC-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000156192377 197093509 /nfs/dbraw/zinc/09/35/09/197093509.db2.gz CSVKPMNLSNEKTP-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C[C@@H]1C[NH+](Cc2nc3ccccc3s2)C[C@@H](C)N1CC#N ZINC000602847738 399600553 /nfs/dbraw/zinc/60/05/53/399600553.db2.gz CIWOYIUFWOWDOL-CHWSQXEVSA-N 1 2 300.431 2.714 20 30 DFEDLO C[C@H]1C[NH+](Cc2cccc(OC(C)(C)C)n2)C[C@H](C)N1CC#N ZINC000602853750 399603847 /nfs/dbraw/zinc/60/38/47/399603847.db2.gz LIVDLCCSEGKMBP-GJZGRUSLSA-N 1 2 316.449 2.677 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000602860142 399606062 /nfs/dbraw/zinc/60/60/62/399606062.db2.gz BMSRPWAALVUASJ-WDEREUQCSA-N 1 2 311.788 2.718 20 30 DFEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602861787 399607389 /nfs/dbraw/zinc/60/73/89/399607389.db2.gz JGAPKJUNSLWJBZ-HIFRSBDPSA-N 1 2 303.406 2.544 20 30 DFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602862181 399607534 /nfs/dbraw/zinc/60/75/34/399607534.db2.gz MRSLNWPKABFKQI-MJBXVCDLSA-N 1 2 304.438 2.951 20 30 DFEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602862181 399607542 /nfs/dbraw/zinc/60/75/42/399607542.db2.gz MRSLNWPKABFKQI-MJBXVCDLSA-N 1 2 304.438 2.951 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000602863274 399607748 /nfs/dbraw/zinc/60/77/48/399607748.db2.gz MDLVYCNCSIQVCJ-ZJUUUORDSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000602862907 399607940 /nfs/dbraw/zinc/60/79/40/399607940.db2.gz KWJKQFXZXWFOLW-SECBINFHSA-N 1 2 321.229 2.659 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000602868212 399609031 /nfs/dbraw/zinc/60/90/31/399609031.db2.gz HZYAXMONEVOIIS-ZJUUUORDSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602867536 399609102 /nfs/dbraw/zinc/60/91/02/399609102.db2.gz DRCUNPXDXKKQKV-OLZOCXBDSA-N 1 2 316.430 2.911 20 30 DFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602868180 399609150 /nfs/dbraw/zinc/60/91/50/399609150.db2.gz HRYYJQYSMSYWFL-STQMWFEESA-N 1 2 316.430 2.769 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868218 399609156 /nfs/dbraw/zinc/60/91/56/399609156.db2.gz IELDSLFZIHFHQA-DTWKUNHWSA-N 1 2 306.366 2.654 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)[nH]1 ZINC000602868101 399609164 /nfs/dbraw/zinc/60/91/64/399609164.db2.gz YAOJOCACKXMQNU-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO CC(C)c1nc(CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)n[nH]1 ZINC000602868101 399609167 /nfs/dbraw/zinc/60/91/67/399609167.db2.gz YAOJOCACKXMQNU-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(Br)c1 ZINC000602868318 399609772 /nfs/dbraw/zinc/60/97/72/399609772.db2.gz JEKNDGJYFZLONN-JTQLQIEISA-N 1 2 310.195 2.588 20 30 DFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602882943 399614423 /nfs/dbraw/zinc/61/44/23/399614423.db2.gz DYTRWPWFAFTSIF-XJKSGUPXSA-N 1 2 302.374 2.535 20 30 DFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602882943 399614426 /nfs/dbraw/zinc/61/44/26/399614426.db2.gz DYTRWPWFAFTSIF-XJKSGUPXSA-N 1 2 302.374 2.535 20 30 DFEDLO C#CCOc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000288535465 335056043 /nfs/dbraw/zinc/05/60/43/335056043.db2.gz WCUGNKCYDOCDOI-UHFFFAOYSA-N 1 2 303.312 2.716 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000288534347 335056117 /nfs/dbraw/zinc/05/61/17/335056117.db2.gz UDPHKTVCDRVTBA-KRWDZBQOSA-N 1 2 309.413 2.615 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000288983448 335059394 /nfs/dbraw/zinc/05/93/94/335059394.db2.gz MQVBBXXNEGTGAO-CZUORRHYSA-N 1 2 310.357 2.757 20 30 DFEDLO C#Cc1ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000289023821 335059536 /nfs/dbraw/zinc/05/95/36/335059536.db2.gz AWMODPSMNRCZHL-QGZVFWFLSA-N 1 2 305.425 2.942 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(C)s2)c1C#N ZINC000602954484 399638599 /nfs/dbraw/zinc/63/85/99/399638599.db2.gz GFRDSWRGDWWGAY-JTQLQIEISA-N 1 2 315.398 2.961 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602979282 399646716 /nfs/dbraw/zinc/64/67/16/399646716.db2.gz BSPMCSNOTLMYHL-NVXWUHKLSA-N 1 2 320.458 2.783 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602979282 399646719 /nfs/dbraw/zinc/64/67/19/399646719.db2.gz BSPMCSNOTLMYHL-NVXWUHKLSA-N 1 2 320.458 2.783 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000289193456 335060593 /nfs/dbraw/zinc/06/05/93/335060593.db2.gz AXKNKMKAAMWBBR-LZFQIVBZSA-N 1 2 319.470 2.820 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000289193456 335060594 /nfs/dbraw/zinc/06/05/94/335060594.db2.gz AXKNKMKAAMWBBR-LZFQIVBZSA-N 1 2 319.470 2.820 20 30 DFEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CC2(C#N)CCC2)nn1 ZINC000603256339 399725741 /nfs/dbraw/zinc/72/57/41/399725741.db2.gz OFQJHQWKKPUSGH-UHFFFAOYSA-N 1 2 306.373 2.678 20 30 DFEDLO C=CCCC[C@H](C)n1cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000603266328 399726621 /nfs/dbraw/zinc/72/66/21/399726621.db2.gz YEENXUHWXOHCNN-GJZGRUSLSA-N 1 2 320.437 2.580 20 30 DFEDLO C=CCCC[C@H](C)n1cc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000603266328 399726628 /nfs/dbraw/zinc/72/66/28/399726628.db2.gz YEENXUHWXOHCNN-GJZGRUSLSA-N 1 2 320.437 2.580 20 30 DFEDLO N#Cc1ccc(OC2CCC(Nc3cc[nH+]cc3F)CC2)nc1 ZINC000603325635 399745204 /nfs/dbraw/zinc/74/52/04/399745204.db2.gz YQFMJUCJISODMF-UHFFFAOYSA-N 1 2 312.348 2.711 20 30 DFEDLO C=CCCCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000681191122 545608594 /nfs/dbraw/zinc/60/85/94/545608594.db2.gz AZWUPSKCJUPITD-OAHLLOKOSA-N 1 2 320.437 2.555 20 30 DFEDLO C=CCCCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000681191122 545608597 /nfs/dbraw/zinc/60/85/97/545608597.db2.gz AZWUPSKCJUPITD-OAHLLOKOSA-N 1 2 320.437 2.555 20 30 DFEDLO C=C[C@H](CO)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000289778107 335065330 /nfs/dbraw/zinc/06/53/30/335065330.db2.gz JHTHKHHIIZWJAZ-CYBMUJFWSA-N 1 2 304.415 2.667 20 30 DFEDLO C[C@H](CNC(=O)c1coc(C2CCCCC2)n1)[NH+]1CCOCC1 ZINC000328761331 543097599 /nfs/dbraw/zinc/09/75/99/543097599.db2.gz YESWRXFWUNJYDR-CYBMUJFWSA-N 1 2 321.421 2.748 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc3c(cc2F)CCC(=O)N3)[N@H+](C)C1 ZINC000329020183 543099266 /nfs/dbraw/zinc/09/92/66/543099266.db2.gz HQKXUXVFWUGJLT-HZMBPMFUSA-N 1 2 321.352 2.667 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc3c(cc2F)CCC(=O)N3)[N@@H+](C)C1 ZINC000329020183 543099267 /nfs/dbraw/zinc/09/92/67/543099267.db2.gz HQKXUXVFWUGJLT-HZMBPMFUSA-N 1 2 321.352 2.667 20 30 DFEDLO O=C(N[C@H]1CCCc2sccc21)N1CCn2c[nH+]cc2C1 ZINC000329549602 543105858 /nfs/dbraw/zinc/10/58/58/543105858.db2.gz ABNFOMWFHBALOT-ZDUSSCGKSA-N 1 2 302.403 2.752 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000329305920 543102961 /nfs/dbraw/zinc/10/29/61/543102961.db2.gz YMTIPGMOJUSPAB-NWDGAFQWSA-N 1 2 303.366 2.908 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC000604528858 399853206 /nfs/dbraw/zinc/85/32/06/399853206.db2.gz LMQVETYHHHZNRN-UHFFFAOYSA-N 1 2 308.385 2.750 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000604551504 399854608 /nfs/dbraw/zinc/85/46/08/399854608.db2.gz ALZCFBCISXIORT-TZMCWYRMSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000604551504 399854614 /nfs/dbraw/zinc/85/46/14/399854614.db2.gz ALZCFBCISXIORT-TZMCWYRMSA-N 1 2 320.462 2.597 20 30 DFEDLO COc1cccc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604558986 399856366 /nfs/dbraw/zinc/85/63/66/399856366.db2.gz YDSGJESQQDDJBG-GFCCVEGCSA-N 1 2 322.372 2.922 20 30 DFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580234 425884821 /nfs/dbraw/zinc/88/48/21/425884821.db2.gz MRPXGHSUXXVSBL-AWEZNQCLSA-N 1 2 318.384 2.727 20 30 DFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580234 425884822 /nfs/dbraw/zinc/88/48/22/425884822.db2.gz MRPXGHSUXXVSBL-AWEZNQCLSA-N 1 2 318.384 2.727 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000633411477 399899919 /nfs/dbraw/zinc/89/99/19/399899919.db2.gz SZBCUQMYYOMMDX-CQSZACIVSA-N 1 2 304.438 2.911 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000630616779 399910544 /nfs/dbraw/zinc/91/05/44/399910544.db2.gz RGWRTHOPWVWESC-QGZVFWFLSA-N 1 2 314.820 2.970 20 30 DFEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000630878476 399942544 /nfs/dbraw/zinc/94/25/44/399942544.db2.gz YFOYNGHOFOOBHI-CYBMUJFWSA-N 1 2 301.434 2.968 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)cc(OC)c1O ZINC000628458449 400033172 /nfs/dbraw/zinc/03/31/72/400033172.db2.gz RTAAWFYWJSLKME-HNNXBMFYSA-N 1 2 309.381 2.690 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](CCF)C2)cc(OC)c1O ZINC000628458449 400033174 /nfs/dbraw/zinc/03/31/74/400033174.db2.gz RTAAWFYWJSLKME-HNNXBMFYSA-N 1 2 309.381 2.690 20 30 DFEDLO N#Cc1ccc(CNC(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000357895256 148166346 /nfs/dbraw/zinc/16/63/46/148166346.db2.gz ZKTCJPANGHKJAA-UHFFFAOYSA-N 1 2 322.393 2.614 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cnccc2C)c(C#N)c1C ZINC000361434368 149115150 /nfs/dbraw/zinc/11/51/50/149115150.db2.gz MVWSELLOZUCOAD-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cnccc2C)c(C#N)c1C ZINC000361434368 149115151 /nfs/dbraw/zinc/11/51/51/149115151.db2.gz MVWSELLOZUCOAD-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)s1 ZINC000361867280 149241402 /nfs/dbraw/zinc/24/14/02/149241402.db2.gz YNBMJEBTEAAMRD-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO N#Cc1cc(F)c(CNc2[nH]c3cc(F)ccc3[nH+]2)c(F)c1 ZINC000362635766 149330223 /nfs/dbraw/zinc/33/02/23/149330223.db2.gz LGZDAZHJZOAZRW-UHFFFAOYSA-N 1 2 302.259 2.886 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)CC2 ZINC000371319317 150022291 /nfs/dbraw/zinc/02/22/91/150022291.db2.gz PZTWCALSCMGLHC-SFHVURJKSA-N 1 2 317.392 2.722 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)CC2 ZINC000371319317 150022293 /nfs/dbraw/zinc/02/22/93/150022293.db2.gz PZTWCALSCMGLHC-SFHVURJKSA-N 1 2 317.392 2.722 20 30 DFEDLO N#Cc1ccc(OC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000371456886 150050040 /nfs/dbraw/zinc/05/00/40/150050040.db2.gz QGCVNYVLFOFDGI-HNNXBMFYSA-N 1 2 307.353 2.775 20 30 DFEDLO COc1cc(C#N)ccc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372993043 150212310 /nfs/dbraw/zinc/21/23/10/150212310.db2.gz ZXAJETLSTZOBBF-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO C[C@H]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247735829 158150446 /nfs/dbraw/zinc/15/04/46/158150446.db2.gz VONDXEQWHBLDRB-SMDDNHRTSA-N 1 2 301.781 2.891 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)n1 ZINC000355081378 158268153 /nfs/dbraw/zinc/26/81/53/158268153.db2.gz NKPQTSHNBGKTEA-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080843 544020322 /nfs/dbraw/zinc/02/03/22/544020322.db2.gz VMEGJDKSQDZSOF-UHFFFAOYSA-N 1 2 310.401 2.790 20 30 DFEDLO C#C[C@@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000290995991 335077938 /nfs/dbraw/zinc/07/79/38/335077938.db2.gz AKTYGYCNAVEROT-SSDOTTSWSA-N 1 2 318.012 2.718 20 30 DFEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000290940363 222016262 /nfs/dbraw/zinc/01/62/62/222016262.db2.gz LHVHFKUABSZQPC-AWEZNQCLSA-N 1 2 309.329 2.552 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184747232 335085098 /nfs/dbraw/zinc/08/50/98/335085098.db2.gz SPLQJJDJUCZBAO-CABCVRRESA-N 1 2 308.422 2.678 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679379821 544845558 /nfs/dbraw/zinc/84/55/58/544845558.db2.gz XOKBMNYLMRMWOS-INIZCTEOSA-N 1 2 312.417 2.921 20 30 DFEDLO C=CCOCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000679649212 544889902 /nfs/dbraw/zinc/88/99/02/544889902.db2.gz REFYUUWIJIOZDJ-UHFFFAOYSA-N 1 2 315.417 2.698 20 30 DFEDLO N#Cc1c(NCCCCNc2cccc[nH+]2)nc2ccccn21 ZINC000302064233 230074251 /nfs/dbraw/zinc/07/42/51/230074251.db2.gz CKYZCLUPXDIWKQ-UHFFFAOYSA-N 1 2 306.373 2.905 20 30 DFEDLO Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1C#N ZINC000302615088 230320295 /nfs/dbraw/zinc/32/02/95/230320295.db2.gz COAOLTAHTQFAGJ-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C#N)CC1 ZINC000057875717 425897097 /nfs/dbraw/zinc/89/70/97/425897097.db2.gz LXOWCTBNGZYKED-LLVKDONJSA-N 1 2 314.414 2.859 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456055244 269797555 /nfs/dbraw/zinc/79/75/55/269797555.db2.gz DDUFKLFFAVUBDT-UHFFFAOYSA-N 1 2 323.396 2.847 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cccs1 ZINC000060942778 425899234 /nfs/dbraw/zinc/89/92/34/425899234.db2.gz GOIJHKAWHVUHQD-UHFFFAOYSA-N 1 2 304.419 2.715 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cccs1 ZINC000060942778 425899235 /nfs/dbraw/zinc/89/92/35/425899235.db2.gz GOIJHKAWHVUHQD-UHFFFAOYSA-N 1 2 304.419 2.715 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000155657167 425924377 /nfs/dbraw/zinc/92/43/77/425924377.db2.gz ULQCBJAOLGPTFG-INIZCTEOSA-N 1 2 321.384 2.744 20 30 DFEDLO C=CCCOCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000124536980 425924397 /nfs/dbraw/zinc/92/43/97/425924397.db2.gz URFKCUWQDOBXQE-UHFFFAOYSA-N 1 2 314.389 2.801 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057906069 264006286 /nfs/dbraw/zinc/00/62/86/264006286.db2.gz LRYJLBCOWRRNGK-LLVKDONJSA-N 1 2 316.792 2.774 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069070177 425928068 /nfs/dbraw/zinc/92/80/68/425928068.db2.gz KNNAOTNODCQGJQ-AWEZNQCLSA-N 1 2 303.406 2.957 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000069070177 425928070 /nfs/dbraw/zinc/92/80/70/425928070.db2.gz KNNAOTNODCQGJQ-AWEZNQCLSA-N 1 2 303.406 2.957 20 30 DFEDLO N#Cc1ncc(NCc2[nH+]ccn2CC(F)(F)F)cc1Cl ZINC000453052343 270001635 /nfs/dbraw/zinc/00/16/35/270001635.db2.gz LIBCQXAFPYXWNQ-UHFFFAOYSA-N 1 2 315.686 2.978 20 30 DFEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000459604203 270001948 /nfs/dbraw/zinc/00/19/48/270001948.db2.gz BUDQSIOUYMVLMP-UHFFFAOYSA-N 1 2 306.365 2.756 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533529822 270002892 /nfs/dbraw/zinc/00/28/92/270002892.db2.gz RVWSEOBHXKXLHO-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533529822 270002893 /nfs/dbraw/zinc/00/28/93/270002893.db2.gz RVWSEOBHXKXLHO-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000534470399 270003088 /nfs/dbraw/zinc/00/30/88/270003088.db2.gz LCINPOQOYCKXJH-UHFFFAOYSA-N 1 2 315.398 2.826 20 30 DFEDLO COc1cccc(N2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000069193425 425931464 /nfs/dbraw/zinc/93/14/64/425931464.db2.gz CUSFQJZRVGIPAD-UHFFFAOYSA-N 1 2 307.397 2.889 20 30 DFEDLO CCCNC(=O)C[N@@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000156254582 425934007 /nfs/dbraw/zinc/93/40/07/425934007.db2.gz OKFCUJSFAMPIIU-UHFFFAOYSA-N 1 2 306.837 2.930 20 30 DFEDLO CCCNC(=O)C[N@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000156254582 425934009 /nfs/dbraw/zinc/93/40/09/425934009.db2.gz OKFCUJSFAMPIIU-UHFFFAOYSA-N 1 2 306.837 2.930 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000345915427 266378269 /nfs/dbraw/zinc/37/82/69/266378269.db2.gz UPHPNNKMPNRKCJ-MSOLQXFVSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000345915427 266378273 /nfs/dbraw/zinc/37/82/73/266378273.db2.gz UPHPNNKMPNRKCJ-MSOLQXFVSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H](CC)O1 ZINC000398514297 266382149 /nfs/dbraw/zinc/38/21/49/266382149.db2.gz JQJLLVZYARCWPA-CWRNSKLLSA-N 1 2 315.417 2.775 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H](CC)O1 ZINC000398514297 266382152 /nfs/dbraw/zinc/38/21/52/266382152.db2.gz JQJLLVZYARCWPA-CWRNSKLLSA-N 1 2 315.417 2.775 20 30 DFEDLO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)OCC ZINC000411645775 267016305 /nfs/dbraw/zinc/01/63/05/267016305.db2.gz JGJYBQQBDIXKRF-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)OCC ZINC000411645775 267016309 /nfs/dbraw/zinc/01/63/09/267016309.db2.gz JGJYBQQBDIXKRF-ZDUSSCGKSA-N 1 2 304.390 2.730 20 30 DFEDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000399225976 267030969 /nfs/dbraw/zinc/03/09/69/267030969.db2.gz XXUIDHFSPCXPJJ-YGRLFVJLSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000399225976 267030972 /nfs/dbraw/zinc/03/09/72/267030972.db2.gz XXUIDHFSPCXPJJ-YGRLFVJLSA-N 1 2 309.207 2.666 20 30 DFEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1occc1C ZINC000412027641 267054067 /nfs/dbraw/zinc/05/40/67/267054067.db2.gz QCDGIPBUWMWXPY-UHFFFAOYSA-N 1 2 311.385 2.598 20 30 DFEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1occc1C ZINC000412027641 267054077 /nfs/dbraw/zinc/05/40/77/267054077.db2.gz QCDGIPBUWMWXPY-UHFFFAOYSA-N 1 2 311.385 2.598 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)o1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496816461 267070090 /nfs/dbraw/zinc/07/00/90/267070090.db2.gz CVILUMOERSMASU-UHFFFAOYSA-N 1 2 305.378 2.592 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)o1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496816461 267070093 /nfs/dbraw/zinc/07/00/93/267070093.db2.gz CVILUMOERSMASU-UHFFFAOYSA-N 1 2 305.378 2.592 20 30 DFEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]cn2CC)cc1C#N ZINC000496960514 267129248 /nfs/dbraw/zinc/12/92/48/267129248.db2.gz XSDPPBIQHTWWRV-UHFFFAOYSA-N 1 2 313.361 2.955 20 30 DFEDLO CCOC(=O)[C@](C)(CNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000425258573 267134440 /nfs/dbraw/zinc/13/44/40/267134440.db2.gz TZIJNWMQNYHMQF-LJQANCHMSA-N 1 2 323.396 2.617 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000348283011 267252598 /nfs/dbraw/zinc/25/25/98/267252598.db2.gz OTDZIXBXPYVDKX-WCBMZHEXSA-N 1 2 317.336 2.831 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000348283011 267252600 /nfs/dbraw/zinc/25/26/00/267252600.db2.gz OTDZIXBXPYVDKX-WCBMZHEXSA-N 1 2 317.336 2.831 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416720132 267257661 /nfs/dbraw/zinc/25/76/61/267257661.db2.gz JWJIFLAWMXTNQX-INIZCTEOSA-N 1 2 323.400 2.651 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(F)cc(F)c1 ZINC000444707393 267298939 /nfs/dbraw/zinc/29/89/39/267298939.db2.gz NYHWXPUWJITUEO-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(F)cc(F)c1 ZINC000444707393 267298942 /nfs/dbraw/zinc/29/89/42/267298942.db2.gz NYHWXPUWJITUEO-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457744 267322963 /nfs/dbraw/zinc/32/29/63/267322963.db2.gz VDMLGATVJXZRFG-ZDUSSCGKSA-N 1 2 307.806 2.834 20 30 DFEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457744 267322967 /nfs/dbraw/zinc/32/29/67/267322967.db2.gz VDMLGATVJXZRFG-ZDUSSCGKSA-N 1 2 307.806 2.834 20 30 DFEDLO Cc1cc2[nH+]cn(CC(=O)NCc3ccc(C#N)cc3)c2cc1C ZINC000346383016 267368252 /nfs/dbraw/zinc/36/82/52/267368252.db2.gz PBBJLDZYPKXBLD-UHFFFAOYSA-N 1 2 318.380 2.841 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000349100956 267389149 /nfs/dbraw/zinc/38/91/49/267389149.db2.gz XFGVTPYTDWJLQB-OAHLLOKOSA-N 1 2 309.373 2.873 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccccc1C#N)C2 ZINC000453601754 267422312 /nfs/dbraw/zinc/42/23/12/267422312.db2.gz VDSRTDGXEKDFGX-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000453601754 267422314 /nfs/dbraw/zinc/42/23/14/267422314.db2.gz VDSRTDGXEKDFGX-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000414141608 267424694 /nfs/dbraw/zinc/42/46/94/267424694.db2.gz KEGNFBLQMNKRSN-SECBINFHSA-N 1 2 319.361 2.791 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)s1 ZINC000424196086 267425328 /nfs/dbraw/zinc/42/53/28/267425328.db2.gz FNYGUWQEJYLIPW-QMMMGPOBSA-N 1 2 307.400 2.714 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000347228012 267723096 /nfs/dbraw/zinc/72/30/96/267723096.db2.gz WXCCGJRALSKEML-UHFFFAOYSA-N 1 2 314.732 2.691 20 30 DFEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000185609929 267799350 /nfs/dbraw/zinc/79/93/50/267799350.db2.gz GSNRDIOREULEDS-LBPRGKRZSA-N 1 2 318.471 2.955 20 30 DFEDLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000026130069 425810945 /nfs/dbraw/zinc/81/09/45/425810945.db2.gz RATKAAKUZTWNSR-CYBMUJFWSA-N 1 2 304.353 2.626 20 30 DFEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428348579 267909485 /nfs/dbraw/zinc/90/94/85/267909485.db2.gz MRJFLVQHVVVKLW-VGOFRKELSA-N 1 2 316.401 2.907 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029840238 425829685 /nfs/dbraw/zinc/82/96/85/425829685.db2.gz ZDSPUDCHNVLLEU-UHFFFAOYSA-N 1 2 319.408 2.906 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029840238 425829686 /nfs/dbraw/zinc/82/96/86/425829686.db2.gz ZDSPUDCHNVLLEU-UHFFFAOYSA-N 1 2 319.408 2.906 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030656938 425832486 /nfs/dbraw/zinc/83/24/86/425832486.db2.gz FNYKFERYYNOZBH-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO N#Cc1cc(F)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000266181039 267992228 /nfs/dbraw/zinc/99/22/28/267992228.db2.gz VIARXDUYHBAZFG-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192013751 268022044 /nfs/dbraw/zinc/02/20/44/268022044.db2.gz MDSZXBOUHOBMEP-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192013751 268022046 /nfs/dbraw/zinc/02/20/46/268022046.db2.gz MDSZXBOUHOBMEP-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4cc(C#N)ncn4)C3)[nH+]c2c1 ZINC000530463747 268048836 /nfs/dbraw/zinc/04/88/36/268048836.db2.gz VIEQVBXGQGNPLZ-ZDUSSCGKSA-N 1 2 318.384 2.917 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(F)c1 ZINC000363467228 268065398 /nfs/dbraw/zinc/06/53/98/268065398.db2.gz ITQWGEWTHKPWFM-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(F)c1 ZINC000363467228 268065400 /nfs/dbraw/zinc/06/54/00/268065400.db2.gz ITQWGEWTHKPWFM-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])CCC2 ZINC000450410657 268069098 /nfs/dbraw/zinc/06/90/98/268069098.db2.gz WJSNNTWUAOYVOE-ZDUSSCGKSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488119461 268072267 /nfs/dbraw/zinc/07/22/67/268072267.db2.gz CFFZKQXRNGUKLA-KRWDZBQOSA-N 1 2 310.401 2.780 20 30 DFEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488119461 268072268 /nfs/dbraw/zinc/07/22/68/268072268.db2.gz CFFZKQXRNGUKLA-KRWDZBQOSA-N 1 2 310.401 2.780 20 30 DFEDLO N#Cc1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000345066894 268077205 /nfs/dbraw/zinc/07/72/05/268077205.db2.gz MHCNIPQADXMNNT-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO Cc1nc(CNc2cc(C)[nH+]cc2C#N)sc1Br ZINC000425271948 268077510 /nfs/dbraw/zinc/07/75/10/268077510.db2.gz VVCDVERFUZNDJG-UHFFFAOYSA-N 1 2 323.219 2.823 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C#N)oc1C ZINC000436061839 268080248 /nfs/dbraw/zinc/08/02/48/268080248.db2.gz CZRFVFJALWSGES-UHFFFAOYSA-N 1 2 322.368 2.938 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc(C#N)o1 ZINC000431997871 268081096 /nfs/dbraw/zinc/08/10/96/268081096.db2.gz JZBZUBRGLUKVSV-UHFFFAOYSA-N 1 2 308.341 2.630 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346982518 268139424 /nfs/dbraw/zinc/13/94/24/268139424.db2.gz NNODYVGJCGCZAW-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346982518 268139425 /nfs/dbraw/zinc/13/94/25/268139425.db2.gz NNODYVGJCGCZAW-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000353301657 268148836 /nfs/dbraw/zinc/14/88/36/268148836.db2.gz WEIOGWQXLUBGDV-SNVBAGLBSA-N 1 2 315.764 2.614 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000353301657 268148839 /nfs/dbraw/zinc/14/88/39/268148839.db2.gz WEIOGWQXLUBGDV-SNVBAGLBSA-N 1 2 315.764 2.614 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000428963204 268163663 /nfs/dbraw/zinc/16/36/63/268163663.db2.gz DFZBTCNPOWOCHY-UHFFFAOYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1O ZINC000527191911 268205395 /nfs/dbraw/zinc/20/53/95/268205395.db2.gz RLGNKIWPJVUTFL-UHFFFAOYSA-N 1 2 304.309 2.906 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000430265550 268222722 /nfs/dbraw/zinc/22/27/22/268222722.db2.gz ZDMIEDJOKDCMTL-KGLIPLIRSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000430265550 268222724 /nfs/dbraw/zinc/22/27/24/268222724.db2.gz ZDMIEDJOKDCMTL-KGLIPLIRSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccncc3)CC2)c(F)c1 ZINC000494942229 268234399 /nfs/dbraw/zinc/23/43/99/268234399.db2.gz QDIFKCPKSHGJRR-OWOJBTEDSA-N 1 2 322.387 2.928 20 30 DFEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459729748 268235511 /nfs/dbraw/zinc/23/55/11/268235511.db2.gz HAXPWRRAXZDRMN-GOSISDBHSA-N 1 2 321.355 2.818 20 30 DFEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459729748 268235513 /nfs/dbraw/zinc/23/55/13/268235513.db2.gz HAXPWRRAXZDRMN-GOSISDBHSA-N 1 2 321.355 2.818 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1F ZINC000352417386 268246806 /nfs/dbraw/zinc/24/68/06/268246806.db2.gz ZQQRBNPKOHNJNE-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1F ZINC000352417386 268246807 /nfs/dbraw/zinc/24/68/07/268246807.db2.gz ZQQRBNPKOHNJNE-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000459442435 268289711 /nfs/dbraw/zinc/28/97/11/268289711.db2.gz JNYMCVTXQPVDRJ-QGZVFWFLSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000459442434 268290260 /nfs/dbraw/zinc/29/02/60/268290260.db2.gz JNYMCVTXQPVDRJ-KRWDZBQOSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000425231532 268293305 /nfs/dbraw/zinc/29/33/05/268293305.db2.gz DOOOSKOCVDGDTF-CQSZACIVSA-N 1 2 310.313 2.519 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000158010034 425940864 /nfs/dbraw/zinc/94/08/64/425940864.db2.gz XGAMLUUCWOXBII-UHFFFAOYSA-N 1 2 319.383 2.871 20 30 DFEDLO Cc1ccc([C@@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)o1 ZINC000159128286 425954794 /nfs/dbraw/zinc/95/47/94/425954794.db2.gz JHZKJWKGVDFYPB-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)o1 ZINC000159128286 425954795 /nfs/dbraw/zinc/95/47/95/425954795.db2.gz JHZKJWKGVDFYPB-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)o1 ZINC000159128440 425955154 /nfs/dbraw/zinc/95/51/54/425955154.db2.gz JHZKJWKGVDFYPB-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)o1 ZINC000159128440 425955158 /nfs/dbraw/zinc/95/51/58/425955158.db2.gz JHZKJWKGVDFYPB-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO C=CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCCCC1 ZINC000069860026 425961023 /nfs/dbraw/zinc/96/10/23/425961023.db2.gz RYOBLLGIXVVWOY-UHFFFAOYSA-N 1 2 300.406 2.591 20 30 DFEDLO C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCCCC1 ZINC000069860026 425961028 /nfs/dbraw/zinc/96/10/28/425961028.db2.gz RYOBLLGIXVVWOY-UHFFFAOYSA-N 1 2 300.406 2.591 20 30 DFEDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000162390726 426063223 /nfs/dbraw/zinc/06/32/23/426063223.db2.gz VOZFQUDBWTYPPM-UHFFFAOYSA-N 1 2 321.446 2.838 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148197 426102598 /nfs/dbraw/zinc/10/25/98/426102598.db2.gz LAWBHMHFCQRFEY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148197 426102600 /nfs/dbraw/zinc/10/26/00/426102600.db2.gz LAWBHMHFCQRFEY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCSCC#N)n1 ZINC000128150973 426105144 /nfs/dbraw/zinc/10/51/44/426105144.db2.gz VZMJOMYLXSOESK-NSHDSACASA-N 1 2 314.480 2.962 20 30 DFEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCSCC#N)n1 ZINC000128150973 426105145 /nfs/dbraw/zinc/10/51/45/426105145.db2.gz VZMJOMYLXSOESK-NSHDSACASA-N 1 2 314.480 2.962 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000077170848 426121074 /nfs/dbraw/zinc/12/10/74/426121074.db2.gz IQNCFOHIQYHSPT-ZDUSSCGKSA-N 1 2 300.387 2.723 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000077170848 426121078 /nfs/dbraw/zinc/12/10/78/426121078.db2.gz IQNCFOHIQYHSPT-ZDUSSCGKSA-N 1 2 300.387 2.723 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c(O)c1 ZINC000129348953 426138681 /nfs/dbraw/zinc/13/86/81/426138681.db2.gz XESQPXLMVVFANQ-YAJBTMAUSA-N 1 2 307.390 2.796 20 30 DFEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000127735272 426082979 /nfs/dbraw/zinc/08/29/79/426082979.db2.gz ACDQFHCXFJQAIR-CJNGLKHVSA-N 1 2 309.373 2.870 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000170646386 426142830 /nfs/dbraw/zinc/14/28/30/426142830.db2.gz LXTNHAWYKRSPPG-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115035544 426153305 /nfs/dbraw/zinc/15/33/05/426153305.db2.gz GODYUKHQMDGSCO-UHFFFAOYSA-N 1 2 303.325 2.606 20 30 DFEDLO COc1cccc(C(N)=[NH+]OCc2ncc(C(C)(C)C)o2)c1 ZINC000131895892 426167648 /nfs/dbraw/zinc/16/76/48/426167648.db2.gz AFHGAUVQXOLVJH-UHFFFAOYSA-N 1 2 303.362 2.818 20 30 DFEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000171377395 426187553 /nfs/dbraw/zinc/18/75/53/426187553.db2.gz BYKUNQKJPUIPDM-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000171377395 426187555 /nfs/dbraw/zinc/18/75/55/426187555.db2.gz BYKUNQKJPUIPDM-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171617716 426199425 /nfs/dbraw/zinc/19/94/25/426199425.db2.gz LBPCMNOQANENSR-UHFFFAOYSA-N 1 2 311.429 2.951 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171617716 426199430 /nfs/dbraw/zinc/19/94/30/426199430.db2.gz LBPCMNOQANENSR-UHFFFAOYSA-N 1 2 311.429 2.951 20 30 DFEDLO N#CCC[N@@H+](CCCOCC(F)(F)F)Cc1ccccn1 ZINC000081159004 426220038 /nfs/dbraw/zinc/22/00/38/426220038.db2.gz CVSZQXGWLVLSQC-UHFFFAOYSA-N 1 2 301.312 2.766 20 30 DFEDLO N#CCC[N@H+](CCCOCC(F)(F)F)Cc1ccccn1 ZINC000081159004 426220041 /nfs/dbraw/zinc/22/00/41/426220041.db2.gz CVSZQXGWLVLSQC-UHFFFAOYSA-N 1 2 301.312 2.766 20 30 DFEDLO O=C(Nc1nc[nH]n1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081938042 426227593 /nfs/dbraw/zinc/22/75/93/426227593.db2.gz DUQUANQYQISBHU-ZDUSSCGKSA-N 1 2 303.341 2.587 20 30 DFEDLO O=C(Nc1nc[nH]n1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081938042 426227595 /nfs/dbraw/zinc/22/75/95/426227595.db2.gz DUQUANQYQISBHU-ZDUSSCGKSA-N 1 2 303.341 2.587 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2cc(C#N)cs2)c[nH+]1 ZINC000084181405 426234354 /nfs/dbraw/zinc/23/43/54/426234354.db2.gz DLQWNQBIVXBTBC-UHFFFAOYSA-N 1 2 314.414 2.791 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(N[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000174687256 426263023 /nfs/dbraw/zinc/26/30/23/426263023.db2.gz WQQAOPRJQICWHX-HNNXBMFYSA-N 1 2 324.428 2.856 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000117337157 426211738 /nfs/dbraw/zinc/21/17/38/426211738.db2.gz NVVHYHZXZUXYRM-KRWDZBQOSA-N 1 2 315.392 2.865 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151304786 426289598 /nfs/dbraw/zinc/28/95/98/426289598.db2.gz QFKPUHPRYAMOPB-ZDUSSCGKSA-N 1 2 301.415 2.722 20 30 DFEDLO Cc1nc(C)c(C#N)c(SCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000175249046 426291277 /nfs/dbraw/zinc/29/12/77/426291277.db2.gz CKSFSFFOBBQIBP-UHFFFAOYSA-N 1 2 322.397 2.838 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000093390674 426354795 /nfs/dbraw/zinc/35/47/95/426354795.db2.gz LXNVSQMRCFFJCN-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000093390674 426354796 /nfs/dbraw/zinc/35/47/96/426354796.db2.gz LXNVSQMRCFFJCN-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO N#Cc1csc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000176279208 426367127 /nfs/dbraw/zinc/36/71/27/426367127.db2.gz IZXFUOTVPKDDSW-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000122292862 426367710 /nfs/dbraw/zinc/36/77/10/426367710.db2.gz KRDQPXZEANUURG-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000122292862 426367713 /nfs/dbraw/zinc/36/77/13/426367713.db2.gz KRDQPXZEANUURG-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO CC(C)(C)c1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000123299477 426424668 /nfs/dbraw/zinc/42/46/68/426424668.db2.gz WFEOQTWIXYXJKM-UHFFFAOYSA-N 1 2 308.769 2.858 20 30 DFEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177013918 426433533 /nfs/dbraw/zinc/43/35/33/426433533.db2.gz KTYKFLSDSYYJRY-UHFFFAOYSA-N 1 2 312.335 2.515 20 30 DFEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177013918 426433535 /nfs/dbraw/zinc/43/35/35/426433535.db2.gz KTYKFLSDSYYJRY-UHFFFAOYSA-N 1 2 312.335 2.515 20 30 DFEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NC ZINC000177175800 426451877 /nfs/dbraw/zinc/45/18/77/426451877.db2.gz YWDZYTNDYITVOP-UHFFFAOYSA-N 1 2 312.335 2.515 20 30 DFEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NC ZINC000177175800 426451881 /nfs/dbraw/zinc/45/18/81/426451881.db2.gz YWDZYTNDYITVOP-UHFFFAOYSA-N 1 2 312.335 2.515 20 30 DFEDLO COc1cccc(CCCO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000123821835 426454671 /nfs/dbraw/zinc/45/46/71/426454671.db2.gz CPQDHINXYATTOO-UHFFFAOYSA-N 1 2 319.430 2.924 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000155204095 426467113 /nfs/dbraw/zinc/46/71/13/426467113.db2.gz FUEMYLAQAFOMJL-KGLIPLIRSA-N 1 2 303.406 2.894 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000155204095 426467115 /nfs/dbraw/zinc/46/71/15/426467115.db2.gz FUEMYLAQAFOMJL-KGLIPLIRSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000155271164 426468063 /nfs/dbraw/zinc/46/80/63/426468063.db2.gz AYBUVKWDGSLUGR-LPMVOBIJSA-N 1 2 318.465 2.787 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000155271164 426468066 /nfs/dbraw/zinc/46/80/66/426468066.db2.gz AYBUVKWDGSLUGR-LPMVOBIJSA-N 1 2 318.465 2.787 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)cc2C)CC[S@]1=O ZINC000186334296 426506486 /nfs/dbraw/zinc/50/64/86/426506486.db2.gz DMZOKKTTWRHKJK-OAQYLSRUSA-N 1 2 304.459 2.990 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2C)CC[S@]1=O ZINC000186334296 426506490 /nfs/dbraw/zinc/50/64/90/426506490.db2.gz DMZOKKTTWRHKJK-OAQYLSRUSA-N 1 2 304.459 2.990 20 30 DFEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nncn2C)ccc1OC ZINC000264234023 426522478 /nfs/dbraw/zinc/52/24/78/426522478.db2.gz CKXLQCXSPDGGFV-CYBMUJFWSA-N 1 2 316.405 2.629 20 30 DFEDLO CN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186462113 426530941 /nfs/dbraw/zinc/53/09/41/426530941.db2.gz UGKVJQQQOHECGM-UHFFFAOYSA-N 1 2 305.809 2.512 20 30 DFEDLO CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186495501 426538699 /nfs/dbraw/zinc/53/86/99/426538699.db2.gz VEFUWZYQDWGWGF-UHFFFAOYSA-N 1 2 319.836 2.950 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c(C#N)c1C ZINC000272497559 426541242 /nfs/dbraw/zinc/54/12/42/426541242.db2.gz DCMFMGUMGVETFT-GFCCVEGCSA-N 1 2 314.389 2.721 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000264365375 426544911 /nfs/dbraw/zinc/54/49/11/426544911.db2.gz IFPHQNNMZPGRIH-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000264365375 426544915 /nfs/dbraw/zinc/54/49/15/426544915.db2.gz IFPHQNNMZPGRIH-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO C=C1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000264435912 426553940 /nfs/dbraw/zinc/55/39/40/426553940.db2.gz DOTBGIXKFADIOT-CYBMUJFWSA-N 1 2 310.405 2.910 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195055187 426500095 /nfs/dbraw/zinc/50/00/95/426500095.db2.gz BVEPGMHQOXLBNG-JSGCOSHPSA-N 1 2 301.415 2.513 20 30 DFEDLO Cc1cc(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)on1 ZINC000186290712 426500404 /nfs/dbraw/zinc/50/04/04/426500404.db2.gz KJEWQNBMOBDZKN-HNNXBMFYSA-N 1 2 310.401 2.734 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)on1 ZINC000186290712 426500407 /nfs/dbraw/zinc/50/04/07/426500407.db2.gz KJEWQNBMOBDZKN-HNNXBMFYSA-N 1 2 310.401 2.734 20 30 DFEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000186313139 426503268 /nfs/dbraw/zinc/50/32/68/426503268.db2.gz FOXXJTXLDZOHIB-MRXNPFEDSA-N 1 2 318.417 2.645 20 30 DFEDLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000186313139 426503274 /nfs/dbraw/zinc/50/32/74/426503274.db2.gz FOXXJTXLDZOHIB-MRXNPFEDSA-N 1 2 318.417 2.645 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000186904605 426604358 /nfs/dbraw/zinc/60/43/58/426604358.db2.gz AMLZOHLEHPJEBY-UHFFFAOYSA-N 1 2 301.781 2.640 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000280628717 426618667 /nfs/dbraw/zinc/61/86/67/426618667.db2.gz SSTCGEUPMVSVJY-QGZVFWFLSA-N 1 2 309.369 2.589 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000280628717 426618673 /nfs/dbraw/zinc/61/86/73/426618673.db2.gz SSTCGEUPMVSVJY-QGZVFWFLSA-N 1 2 309.369 2.589 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000265327398 426619881 /nfs/dbraw/zinc/61/98/81/426619881.db2.gz VAMOPQTWEOILIK-CQSZACIVSA-N 1 2 302.422 2.836 20 30 DFEDLO C=C1CC[NH+](CC(=O)NCc2cc(Cl)ccc2OC)CC1 ZINC000264477620 426559674 /nfs/dbraw/zinc/55/96/74/426559674.db2.gz PIPKXGCVMXDCDZ-UHFFFAOYSA-N 1 2 308.809 2.617 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000264472943 426560299 /nfs/dbraw/zinc/56/02/99/426560299.db2.gz OBUNMNLRHPVLQE-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCc2occc2C1 ZINC000288982130 426561271 /nfs/dbraw/zinc/56/12/71/426561271.db2.gz ZINBDRFYUCCMEA-CYBMUJFWSA-N 1 2 309.369 2.927 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCc2occc2C1 ZINC000288982130 426561277 /nfs/dbraw/zinc/56/12/77/426561277.db2.gz ZINBDRFYUCCMEA-CYBMUJFWSA-N 1 2 309.369 2.927 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265505441 426648793 /nfs/dbraw/zinc/64/87/93/426648793.db2.gz NZJVUYALVAHXCC-SFHVURJKSA-N 1 2 324.380 2.935 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265505441 426648799 /nfs/dbraw/zinc/64/87/99/426648799.db2.gz NZJVUYALVAHXCC-SFHVURJKSA-N 1 2 324.380 2.935 20 30 DFEDLO COCCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187364234 426651943 /nfs/dbraw/zinc/65/19/43/426651943.db2.gz BBSNHHFFWRSSSR-INIZCTEOSA-N 1 2 308.809 2.839 20 30 DFEDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187364234 426651947 /nfs/dbraw/zinc/65/19/47/426651947.db2.gz BBSNHHFFWRSSSR-INIZCTEOSA-N 1 2 308.809 2.839 20 30 DFEDLO N#Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)ccc1F ZINC000280828100 426666005 /nfs/dbraw/zinc/66/60/05/426666005.db2.gz SNNQSZDBIPFHEF-UHFFFAOYSA-N 1 2 311.307 2.613 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000280884404 426678073 /nfs/dbraw/zinc/67/80/73/426678073.db2.gz AOEGEFIWJTXQSW-YXPYIKCWSA-N 1 2 316.401 2.566 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC000290014513 426679508 /nfs/dbraw/zinc/67/95/08/426679508.db2.gz AMLGIYPPEZPFJO-VXGBXAGGSA-N 1 2 310.335 2.702 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)C(F)C(F)(F)F)C(C)C ZINC000290014513 426679509 /nfs/dbraw/zinc/67/95/09/426679509.db2.gz AMLGIYPPEZPFJO-VXGBXAGGSA-N 1 2 310.335 2.702 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273527863 426681308 /nfs/dbraw/zinc/68/13/08/426681308.db2.gz SGWVJMFPBQAVAF-ZBFHGGJFSA-N 1 2 320.433 2.708 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)OC)c1ccc(F)cc1 ZINC000280667018 426628697 /nfs/dbraw/zinc/62/86/97/426628697.db2.gz POERUXYUIBJWGP-KBMXLJTQSA-N 1 2 307.365 2.611 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)C1=O ZINC000281424439 426718949 /nfs/dbraw/zinc/71/89/49/426718949.db2.gz ZDFHAOMVJUWFHG-AWEZNQCLSA-N 1 2 307.463 2.560 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(CC(C)C)s2)C1=O ZINC000281424439 426718953 /nfs/dbraw/zinc/71/89/53/426718953.db2.gz ZDFHAOMVJUWFHG-AWEZNQCLSA-N 1 2 307.463 2.560 20 30 DFEDLO N#Cc1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000265818575 426696004 /nfs/dbraw/zinc/69/60/04/426696004.db2.gz VGNYNAUPHURQDF-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO C=CCCCCC[N@@H+](C)Cc1noc(CCCC(=O)OC)n1 ZINC000265848623 426700529 /nfs/dbraw/zinc/70/05/29/426700529.db2.gz YFHPHJKIFGBWRE-UHFFFAOYSA-N 1 2 309.410 2.744 20 30 DFEDLO C=CCCCCC[N@H+](C)Cc1noc(CCCC(=O)OC)n1 ZINC000265848623 426700533 /nfs/dbraw/zinc/70/05/33/426700533.db2.gz YFHPHJKIFGBWRE-UHFFFAOYSA-N 1 2 309.410 2.744 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C1=O ZINC000281152858 426702463 /nfs/dbraw/zinc/70/24/63/426702463.db2.gz FNZXEZZVWUPSCK-CYBMUJFWSA-N 1 2 307.463 2.659 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C1=O ZINC000281152858 426702466 /nfs/dbraw/zinc/70/24/66/426702466.db2.gz FNZXEZZVWUPSCK-CYBMUJFWSA-N 1 2 307.463 2.659 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179203468 426769443 /nfs/dbraw/zinc/76/94/43/426769443.db2.gz IHEIHAOSZSFXLS-HNNXBMFYSA-N 1 2 321.384 2.662 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281886920 426785593 /nfs/dbraw/zinc/78/55/93/426785593.db2.gz PSWGTDZARGYWQZ-QWHCGFSZSA-N 1 2 300.171 2.842 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281886920 426785596 /nfs/dbraw/zinc/78/55/96/426785596.db2.gz PSWGTDZARGYWQZ-QWHCGFSZSA-N 1 2 300.171 2.842 20 30 DFEDLO CC(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274257303 426730962 /nfs/dbraw/zinc/73/09/62/426730962.db2.gz VWNOYGGVOZMKID-MRXNPFEDSA-N 1 2 313.445 2.885 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560123 426739999 /nfs/dbraw/zinc/73/99/99/426739999.db2.gz XBJPLXPDYIIBFD-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560123 426740001 /nfs/dbraw/zinc/74/00/01/426740001.db2.gz XBJPLXPDYIIBFD-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266931892 426798249 /nfs/dbraw/zinc/79/82/49/426798249.db2.gz OXPGRPGEYGVEJN-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266931892 426798252 /nfs/dbraw/zinc/79/82/52/426798252.db2.gz OXPGRPGEYGVEJN-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266933186 426798621 /nfs/dbraw/zinc/79/86/21/426798621.db2.gz PCKKGUXYRJPWOP-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266933186 426798623 /nfs/dbraw/zinc/79/86/23/426798623.db2.gz PCKKGUXYRJPWOP-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246128450 426802448 /nfs/dbraw/zinc/80/24/48/426802448.db2.gz BIEYOAHWAKHXIT-HNNXBMFYSA-N 1 2 304.438 2.620 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246128450 426802452 /nfs/dbraw/zinc/80/24/52/426802452.db2.gz BIEYOAHWAKHXIT-HNNXBMFYSA-N 1 2 304.438 2.620 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccccc3s2)C1=O ZINC000281976901 426804986 /nfs/dbraw/zinc/80/49/86/426804986.db2.gz LQTKUGGQUPAWQB-CYBMUJFWSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3s2)C1=O ZINC000281976901 426804989 /nfs/dbraw/zinc/80/49/89/426804989.db2.gz LQTKUGGQUPAWQB-CYBMUJFWSA-N 1 2 301.415 2.515 20 30 DFEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000266967239 426805642 /nfs/dbraw/zinc/80/56/42/426805642.db2.gz YPVACFXABLSPAT-MRXNPFEDSA-N 1 2 324.428 2.771 20 30 DFEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000266967239 426805649 /nfs/dbraw/zinc/80/56/49/426805649.db2.gz YPVACFXABLSPAT-MRXNPFEDSA-N 1 2 324.428 2.771 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000189168021 426826162 /nfs/dbraw/zinc/82/61/62/426826162.db2.gz OWEGIEVKHVVTGG-UHFFFAOYSA-N 1 2 312.348 2.714 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000246951388 426883642 /nfs/dbraw/zinc/88/36/42/426883642.db2.gz ASUTUYGXLSSULF-TZMCWYRMSA-N 1 2 303.431 2.713 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000246951388 426883648 /nfs/dbraw/zinc/88/36/48/426883648.db2.gz ASUTUYGXLSSULF-TZMCWYRMSA-N 1 2 303.431 2.713 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1CC(F)(F)F ZINC000180835205 426891696 /nfs/dbraw/zinc/89/16/96/426891696.db2.gz WLVJFHMKEWDFSS-JTQLQIEISA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1CC(F)(F)F ZINC000180835205 426891703 /nfs/dbraw/zinc/89/17/03/426891703.db2.gz WLVJFHMKEWDFSS-JTQLQIEISA-N 1 2 303.353 2.688 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000189616281 426904537 /nfs/dbraw/zinc/90/45/37/426904537.db2.gz PLENBRJVZIIKTJ-SFHVURJKSA-N 1 2 315.417 2.690 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)s1 ZINC000268238721 426961536 /nfs/dbraw/zinc/96/15/36/426961536.db2.gz QMKDATXOAHXTPS-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H](C)CC ZINC000181629339 426970955 /nfs/dbraw/zinc/97/09/55/426970955.db2.gz ZRPPBHVLHXAXAN-BBRMVZONSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000268293773 426981155 /nfs/dbraw/zinc/98/11/55/426981155.db2.gz KDZSCIRTHNDOGZ-AWEZNQCLSA-N 1 2 311.385 2.944 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000268293773 426981158 /nfs/dbraw/zinc/98/11/58/426981158.db2.gz KDZSCIRTHNDOGZ-AWEZNQCLSA-N 1 2 311.385 2.944 20 30 DFEDLO C[C@@H]1SCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1C ZINC000328597518 426981867 /nfs/dbraw/zinc/98/18/67/426981867.db2.gz AHFKIFKKGHRANF-AVGNSLFASA-N 1 2 308.451 2.500 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318972 426984770 /nfs/dbraw/zinc/98/47/70/426984770.db2.gz SKPJOZISHWGQPI-YPMHNXCESA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318972 426984774 /nfs/dbraw/zinc/98/47/74/426984774.db2.gz SKPJOZISHWGQPI-YPMHNXCESA-N 1 2 316.323 2.679 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247348612 426930285 /nfs/dbraw/zinc/93/02/85/426930285.db2.gz JTURJEUGYUDWKC-LSDHHAIUSA-N 1 2 322.474 2.935 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247348612 426930289 /nfs/dbraw/zinc/93/02/89/426930289.db2.gz JTURJEUGYUDWKC-LSDHHAIUSA-N 1 2 322.474 2.935 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000329165345 427057745 /nfs/dbraw/zinc/05/77/45/427057745.db2.gz HLTQQJWZJCDZGQ-GFCCVEGCSA-N 1 2 321.450 2.739 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000329165345 427057752 /nfs/dbraw/zinc/05/77/52/427057752.db2.gz HLTQQJWZJCDZGQ-GFCCVEGCSA-N 1 2 321.450 2.739 20 30 DFEDLO Cc1nc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1C#N ZINC000291807650 426995853 /nfs/dbraw/zinc/99/58/53/426995853.db2.gz FCOJWGFWRJPMLX-UHFFFAOYSA-N 1 2 309.295 2.657 20 30 DFEDLO O=C(NC1CC1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328786688 426998483 /nfs/dbraw/zinc/99/84/83/426998483.db2.gz OQSUCEARWSDHME-CQSZACIVSA-N 1 2 304.394 2.977 20 30 DFEDLO O=C(NC1CC1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328786688 426998489 /nfs/dbraw/zinc/99/84/89/426998489.db2.gz OQSUCEARWSDHME-CQSZACIVSA-N 1 2 304.394 2.977 20 30 DFEDLO C[C@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268377742 427001456 /nfs/dbraw/zinc/00/14/56/427001456.db2.gz MCBZBCUFCBNNJW-XDWWLABZSA-N 1 2 320.396 2.878 20 30 DFEDLO COC(=O)c1cc(C[NH2+]Cc2ccc(C#N)cc2F)oc1C ZINC000182192091 427021938 /nfs/dbraw/zinc/02/19/38/427021938.db2.gz PFKRMNRGKKMTHN-UHFFFAOYSA-N 1 2 302.305 2.675 20 30 DFEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329038389 427029503 /nfs/dbraw/zinc/02/95/03/427029503.db2.gz NONSBRCIYMASAG-GFCCVEGCSA-N 1 2 320.418 2.694 20 30 DFEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329038389 427029512 /nfs/dbraw/zinc/02/95/12/427029512.db2.gz NONSBRCIYMASAG-GFCCVEGCSA-N 1 2 320.418 2.694 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329099076 427041451 /nfs/dbraw/zinc/04/14/51/427041451.db2.gz YZUZKWOIYWWOFB-VLWBHCEFSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329099076 427041454 /nfs/dbraw/zinc/04/14/54/427041454.db2.gz YZUZKWOIYWWOFB-VLWBHCEFSA-N 1 2 324.465 2.792 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000292077344 427080571 /nfs/dbraw/zinc/08/05/71/427080571.db2.gz DGUZARWHADQFEH-UHFFFAOYSA-N 1 2 305.385 2.860 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000292077344 427080578 /nfs/dbraw/zinc/08/05/78/427080578.db2.gz DGUZARWHADQFEH-UHFFFAOYSA-N 1 2 305.385 2.860 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190347205 427083414 /nfs/dbraw/zinc/08/34/14/427083414.db2.gz NOUQKAROHXJKTA-UHFFFAOYSA-N 1 2 307.344 2.785 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190347205 427083419 /nfs/dbraw/zinc/08/34/19/427083419.db2.gz NOUQKAROHXJKTA-UHFFFAOYSA-N 1 2 307.344 2.785 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000338031854 427102876 /nfs/dbraw/zinc/10/28/76/427102876.db2.gz OYOPRXPONCIEAH-UHFFFAOYSA-N 1 2 308.385 2.672 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000268721360 427103792 /nfs/dbraw/zinc/10/37/92/427103792.db2.gz ORSJDSNFGHZYDY-RISCZKNCSA-N 1 2 321.808 2.649 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000268721360 427103798 /nfs/dbraw/zinc/10/37/98/427103798.db2.gz ORSJDSNFGHZYDY-RISCZKNCSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CCCCO1 ZINC000329402555 427106892 /nfs/dbraw/zinc/10/68/92/427106892.db2.gz YLQGTPCKAWBRGS-CWRNSKLLSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CCCCO1 ZINC000329402555 427106897 /nfs/dbraw/zinc/10/68/97/427106897.db2.gz YLQGTPCKAWBRGS-CWRNSKLLSA-N 1 2 310.438 2.544 20 30 DFEDLO C[N@H+](Cc1ccco1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182599328 427107771 /nfs/dbraw/zinc/10/77/71/427107771.db2.gz OETTXGVPHIHFAR-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccco1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182599328 427107777 /nfs/dbraw/zinc/10/77/77/427107777.db2.gz OETTXGVPHIHFAR-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329479023 427125723 /nfs/dbraw/zinc/12/57/23/427125723.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH]1 ZINC000329479023 427125729 /nfs/dbraw/zinc/12/57/29/427125729.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329479023 427125734 /nfs/dbraw/zinc/12/57/34/427125734.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000329479023 427125737 /nfs/dbraw/zinc/12/57/37/427125737.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000329479023 427125743 /nfs/dbraw/zinc/12/57/43/427125743.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000329479023 427125749 /nfs/dbraw/zinc/12/57/49/427125749.db2.gz QIPSVNBGSDKUTE-NWANDNLSSA-N 1 2 319.453 2.828 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC12CCC2 ZINC000329547493 427141499 /nfs/dbraw/zinc/14/14/99/427141499.db2.gz HKGKTRYEWHOMHC-OLZOCXBDSA-N 1 2 302.422 2.693 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC12CCC2 ZINC000329547493 427141502 /nfs/dbraw/zinc/14/15/02/427141502.db2.gz HKGKTRYEWHOMHC-OLZOCXBDSA-N 1 2 302.422 2.693 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC2(C1)CCCCC2 ZINC000329565743 427143457 /nfs/dbraw/zinc/14/34/57/427143457.db2.gz KMXAKCOYXNCLJH-UHFFFAOYSA-N 1 2 302.422 2.900 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000338131570 427150166 /nfs/dbraw/zinc/15/01/66/427150166.db2.gz BLDZHJCQZFDTGP-GUYCJALGSA-N 1 2 308.385 2.787 20 30 DFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000171757050 271107028 /nfs/dbraw/zinc/10/70/28/271107028.db2.gz LKCMRJSICIKDAJ-UHFFFAOYSA-N 1 2 316.364 2.921 20 30 DFEDLO C#CCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000277328482 427167567 /nfs/dbraw/zinc/16/75/67/427167567.db2.gz LZWFONFDHYIADR-UHFFFAOYSA-N 1 2 321.424 2.814 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338256109 427217199 /nfs/dbraw/zinc/21/71/99/427217199.db2.gz JHQODSJPTJCLPE-BBRMVZONSA-N 1 2 322.836 2.794 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C2CC2)O1 ZINC000329891793 427179542 /nfs/dbraw/zinc/17/95/42/427179542.db2.gz IJUQOPKORKCWGX-BLLLJJGKSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C2CC2)O1 ZINC000329891793 427179547 /nfs/dbraw/zinc/17/95/47/427179547.db2.gz IJUQOPKORKCWGX-BLLLJJGKSA-N 1 2 324.384 2.608 20 30 DFEDLO N#Cc1ccc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)cc1F ZINC000190818156 427185087 /nfs/dbraw/zinc/18/50/87/427185087.db2.gz IUYGFMXWHKHPTJ-JOCHJYFZSA-N 1 2 313.357 2.794 20 30 DFEDLO CC[C@H](CSC)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330657797 427284120 /nfs/dbraw/zinc/28/41/20/427284120.db2.gz WLYSDQSTOUVEBA-CHWSQXEVSA-N 1 2 310.467 2.714 20 30 DFEDLO N#Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccn1 ZINC000285495951 427248680 /nfs/dbraw/zinc/24/86/80/427248680.db2.gz FADVAQPUMCEBJV-HNNXBMFYSA-N 1 2 314.414 2.500 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000255327689 427258217 /nfs/dbraw/zinc/25/82/17/427258217.db2.gz ZCGRYXCCKCFCAG-SREVYHEPSA-N 1 2 308.385 2.740 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000255515381 427274618 /nfs/dbraw/zinc/27/46/18/427274618.db2.gz VWXXXVXBEYVNQB-UONOGXRCSA-N 1 2 305.397 2.827 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000255515381 427274624 /nfs/dbraw/zinc/27/46/24/427274624.db2.gz VWXXXVXBEYVNQB-UONOGXRCSA-N 1 2 305.397 2.827 20 30 DFEDLO COCCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330773329 427301958 /nfs/dbraw/zinc/30/19/58/427301958.db2.gz FJTHHZDHLSMYPK-CYBMUJFWSA-N 1 2 306.410 2.741 20 30 DFEDLO C#CC[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC000270401056 427345164 /nfs/dbraw/zinc/34/51/64/427345164.db2.gz JTOHMHRFICBTBY-QGZVFWFLSA-N 1 2 322.412 2.711 20 30 DFEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1C#N ZINC000191228488 427290860 /nfs/dbraw/zinc/29/08/60/427290860.db2.gz OWCIZTRGZNISOL-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1C#N ZINC000191228488 427290868 /nfs/dbraw/zinc/29/08/68/427290868.db2.gz OWCIZTRGZNISOL-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C(N)=O)C(C)(C)C)CCC2 ZINC000330710623 427295585 /nfs/dbraw/zinc/29/55/85/427295585.db2.gz UDQIGYXNIRKJGX-NWDGAFQWSA-N 1 2 321.425 2.522 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C)O1 ZINC000331269837 427386071 /nfs/dbraw/zinc/38/60/71/427386071.db2.gz LYWBAZPNKAWMNZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C)O1 ZINC000331269837 427386074 /nfs/dbraw/zinc/38/60/74/427386074.db2.gz LYWBAZPNKAWMNZ-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000338580152 427393882 /nfs/dbraw/zinc/39/38/82/427393882.db2.gz RTBRBMUTXMWXEL-RUYXUALKSA-N 1 2 323.440 2.639 20 30 DFEDLO CC(C)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000331338169 427398663 /nfs/dbraw/zinc/39/86/63/427398663.db2.gz RBGAHRGGLIMFLD-ZDUSSCGKSA-N 1 2 324.450 2.500 20 30 DFEDLO CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331323008 427399780 /nfs/dbraw/zinc/39/97/80/427399780.db2.gz LNAGJVQMDCYXNR-AWEZNQCLSA-N 1 2 319.405 2.827 20 30 DFEDLO N#Cc1csc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278106085 427408766 /nfs/dbraw/zinc/40/87/66/427408766.db2.gz POKADIPILUGAGQ-VXGBXAGGSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1csc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278106085 427408770 /nfs/dbraw/zinc/40/87/70/427408770.db2.gz POKADIPILUGAGQ-VXGBXAGGSA-N 1 2 316.386 2.596 20 30 DFEDLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455428 427414974 /nfs/dbraw/zinc/41/49/74/427414974.db2.gz AJYFCCUVIUCGCK-KBXCAEBGSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cnc([C@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455428 427414978 /nfs/dbraw/zinc/41/49/78/427414978.db2.gz AJYFCCUVIUCGCK-KBXCAEBGSA-N 1 2 308.385 2.791 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1[nH+]ccn1CC ZINC000297627653 427416430 /nfs/dbraw/zinc/41/64/30/427416430.db2.gz BBDUJDCLNCUFGP-UHFFFAOYSA-N 1 2 316.380 2.940 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)o1 ZINC000271206037 427451094 /nfs/dbraw/zinc/45/10/94/427451094.db2.gz VYUPRJFYZQEMRA-UHFFFAOYSA-N 1 2 303.312 2.752 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192170616 427494173 /nfs/dbraw/zinc/49/41/73/427494173.db2.gz ANEKIFLVXFMADG-WFASDCNBSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192170616 427494177 /nfs/dbraw/zinc/49/41/77/427494177.db2.gz ANEKIFLVXFMADG-WFASDCNBSA-N 1 2 304.415 2.600 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000192231598 427505889 /nfs/dbraw/zinc/50/58/89/427505889.db2.gz JHLBTDWSEKBVMJ-IBGZPJMESA-N 1 2 324.449 2.787 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000192231598 427505897 /nfs/dbraw/zinc/50/58/97/427505897.db2.gz JHLBTDWSEKBVMJ-IBGZPJMESA-N 1 2 324.449 2.787 20 30 DFEDLO C=CCOCCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000338912495 427555118 /nfs/dbraw/zinc/55/51/18/427555118.db2.gz WAYHBSUDXNDZIA-UHFFFAOYSA-N 1 2 324.852 2.539 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279020858 427531964 /nfs/dbraw/zinc/53/19/64/427531964.db2.gz AIHNYHIJGROXDI-UHFFFAOYSA-N 1 2 313.445 2.975 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000279074349 427550433 /nfs/dbraw/zinc/55/04/33/427550433.db2.gz KTHUEHZBQOWQMR-LLVKDONJSA-N 1 2 308.451 2.526 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000339009145 427621244 /nfs/dbraw/zinc/62/12/44/427621244.db2.gz IEQFLFMWIXVESE-MCIONIFRSA-N 1 2 306.410 2.927 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000339009145 427621253 /nfs/dbraw/zinc/62/12/53/427621253.db2.gz IEQFLFMWIXVESE-MCIONIFRSA-N 1 2 306.410 2.927 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263961646 427621939 /nfs/dbraw/zinc/62/19/39/427621939.db2.gz XWJLUDJCFNLJLO-CQSZACIVSA-N 1 2 311.385 2.994 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnccc1OC ZINC000287330514 427581261 /nfs/dbraw/zinc/58/12/61/427581261.db2.gz OCTCORINRWVYPK-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccc1OC ZINC000287330514 427581265 /nfs/dbraw/zinc/58/12/65/427581265.db2.gz OCTCORINRWVYPK-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000263846536 427589585 /nfs/dbraw/zinc/58/95/85/427589585.db2.gz LFWGBYJHUMZAEM-WMLDXEAASA-N 1 2 317.458 2.866 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000263846536 427589589 /nfs/dbraw/zinc/58/95/89/427589589.db2.gz LFWGBYJHUMZAEM-WMLDXEAASA-N 1 2 317.458 2.866 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000185295687 427631213 /nfs/dbraw/zinc/63/12/13/427631213.db2.gz VAWBGYVZYSCSRG-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000185295687 427631215 /nfs/dbraw/zinc/63/12/15/427631215.db2.gz VAWBGYVZYSCSRG-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC)c2OC)n1 ZINC000279375418 427654939 /nfs/dbraw/zinc/65/49/39/427654939.db2.gz JNBZPJRMHDWFRG-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC)c2OC)n1 ZINC000279375418 427654945 /nfs/dbraw/zinc/65/49/45/427654945.db2.gz JNBZPJRMHDWFRG-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339189548 427723630 /nfs/dbraw/zinc/72/36/30/427723630.db2.gz KIOVFPWDWGETBO-BIGNPOOSSA-N 1 2 309.772 2.500 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339189548 427723634 /nfs/dbraw/zinc/72/36/34/427723634.db2.gz KIOVFPWDWGETBO-BIGNPOOSSA-N 1 2 309.772 2.500 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000299177325 427758781 /nfs/dbraw/zinc/75/87/81/427758781.db2.gz YMSMEHWYOLYFIO-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000299177325 427758782 /nfs/dbraw/zinc/75/87/82/427758782.db2.gz YMSMEHWYOLYFIO-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO Cc1nnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1C ZINC000301057601 427772684 /nfs/dbraw/zinc/77/26/84/427772684.db2.gz BOGIXFRFYGEJJS-UHFFFAOYSA-N 1 2 304.357 2.954 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)OCC ZINC000339440628 427776118 /nfs/dbraw/zinc/77/61/18/427776118.db2.gz MCEIEPWAVGONDD-CQSZACIVSA-N 1 2 321.808 2.975 20 30 DFEDLO N#Cc1cccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000301136199 427777781 /nfs/dbraw/zinc/77/77/81/427777781.db2.gz IRXGVNNPZABMDH-UHFFFAOYSA-N 1 2 321.424 2.755 20 30 DFEDLO N#Cc1cc(NCC[NH+]2CCOCC2)nc2ccc(Cl)cc12 ZINC000301199059 427781930 /nfs/dbraw/zinc/78/19/30/427781930.db2.gz LPNKRTCLFMDCNL-UHFFFAOYSA-N 1 2 316.792 2.504 20 30 DFEDLO C[C@@H]1CN(c2ccc(Nc3cccc(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000339215438 427734179 /nfs/dbraw/zinc/73/41/79/427734179.db2.gz AKVMBMIGDADGHI-CHWSQXEVSA-N 1 2 309.373 2.705 20 30 DFEDLO Cc1cn2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000339261710 427745022 /nfs/dbraw/zinc/74/50/22/427745022.db2.gz BZOLQCWDIHJFLK-UHFFFAOYSA-N 1 2 305.341 2.565 20 30 DFEDLO Cc1[nH]c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000339272257 427746169 /nfs/dbraw/zinc/74/61/69/427746169.db2.gz UFTPTTSJUWANGB-UHFFFAOYSA-N 1 2 307.275 2.518 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1=O ZINC000337163113 427807720 /nfs/dbraw/zinc/80/77/20/427807720.db2.gz WGJKKPGRPCVEQM-ZWKOTPCHSA-N 1 2 307.397 2.548 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)C1=O ZINC000337163572 427807823 /nfs/dbraw/zinc/80/78/23/427807823.db2.gz WUWVTOGHDVANQQ-MEDUHNTESA-N 1 2 306.356 2.671 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)C1=O ZINC000337163572 427807826 /nfs/dbraw/zinc/80/78/26/427807826.db2.gz WUWVTOGHDVANQQ-MEDUHNTESA-N 1 2 306.356 2.671 20 30 DFEDLO N#Cc1cc(F)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301658834 427813374 /nfs/dbraw/zinc/81/33/74/427813374.db2.gz WLBDXLQAMQGJQJ-CYBMUJFWSA-N 1 2 301.296 2.889 20 30 DFEDLO Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)c(C#N)c(C)[nH+]1 ZINC000301662007 427813553 /nfs/dbraw/zinc/81/35/53/427813553.db2.gz JTRLEIKDXSOVHY-UHFFFAOYSA-N 1 2 315.398 2.586 20 30 DFEDLO Cc1cc(N2CCN(c3ccccc3O)CC2)c(C#N)c(C)[nH+]1 ZINC000301671365 427814019 /nfs/dbraw/zinc/81/40/19/427814019.db2.gz OAVNGCMTYSJNLA-UHFFFAOYSA-N 1 2 308.385 2.602 20 30 DFEDLO Cc1cc(NC[C@H](O)COc2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000301685669 427816068 /nfs/dbraw/zinc/81/60/68/427816068.db2.gz UJCSIDSKRISFPZ-AWEZNQCLSA-N 1 2 315.348 2.561 20 30 DFEDLO Cc1cc(N2CCC(OC3CCOCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301693323 427817338 /nfs/dbraw/zinc/81/73/38/427817338.db2.gz XQVACOFPSPWNDQ-UHFFFAOYSA-N 1 2 315.417 2.735 20 30 DFEDLO Cc1cc(N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301756127 427821810 /nfs/dbraw/zinc/82/18/10/427821810.db2.gz DNIGUJJFLDMSLS-HNNXBMFYSA-N 1 2 314.433 2.559 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000339755790 427823316 /nfs/dbraw/zinc/82/33/16/427823316.db2.gz XQZXGFHELGUMOA-NSHDSACASA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000339755790 427823319 /nfs/dbraw/zinc/82/33/19/427823319.db2.gz XQZXGFHELGUMOA-NSHDSACASA-N 1 2 309.207 2.731 20 30 DFEDLO Cc1cc(N[C@H]2CC(=O)N(c3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000301783500 427824504 /nfs/dbraw/zinc/82/45/04/427824504.db2.gz NWVAACAOYJXIJA-AWEZNQCLSA-N 1 2 306.369 2.788 20 30 DFEDLO Cc1cc(N2CCC(c3nncn3C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301802452 427825381 /nfs/dbraw/zinc/82/53/81/427825381.db2.gz WOLWWWPXQVYRQX-UHFFFAOYSA-N 1 2 322.416 2.881 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774153 427827080 /nfs/dbraw/zinc/82/70/80/427827080.db2.gz DWTGXMWGOOGLMW-KRWDZBQOSA-N 1 2 300.402 2.958 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774153 427827082 /nfs/dbraw/zinc/82/70/82/427827082.db2.gz DWTGXMWGOOGLMW-KRWDZBQOSA-N 1 2 300.402 2.958 20 30 DFEDLO Cc1cc(NCc2ccnc(O[C@H]3CCOC3)c2)c(C#N)c(C)[nH+]1 ZINC000301893474 427834908 /nfs/dbraw/zinc/83/49/08/427834908.db2.gz PBDOEGPLNTUNGU-HNNXBMFYSA-N 1 2 324.384 2.745 20 30 DFEDLO Cc1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)c(C#N)c(C)[nH+]1 ZINC000302116380 427850553 /nfs/dbraw/zinc/85/05/53/427850553.db2.gz CVKAHYQZIYSLDV-OAHLLOKOSA-N 1 2 313.382 2.511 20 30 DFEDLO Cc1nc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)ccc1C#N ZINC000355732781 427865960 /nfs/dbraw/zinc/86/59/60/427865960.db2.gz SWMNCXBLTIPPSZ-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(CC#N)cc3)n2)C1 ZINC000349854507 427881351 /nfs/dbraw/zinc/88/13/51/427881351.db2.gz TXBXCQWGGDRSSU-HNNXBMFYSA-N 1 2 312.373 2.584 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(CC#N)cc3)n2)C1 ZINC000349854507 427881355 /nfs/dbraw/zinc/88/13/55/427881355.db2.gz TXBXCQWGGDRSSU-HNNXBMFYSA-N 1 2 312.373 2.584 20 30 DFEDLO CC[N@H+](CCCNC(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000349885511 427888618 /nfs/dbraw/zinc/88/86/18/427888618.db2.gz YYSVAEGAZUAIJZ-UHFFFAOYSA-N 1 2 302.422 2.752 20 30 DFEDLO CC[N@@H+](CCCNC(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000349885511 427888623 /nfs/dbraw/zinc/88/86/23/427888623.db2.gz YYSVAEGAZUAIJZ-UHFFFAOYSA-N 1 2 302.422 2.752 20 30 DFEDLO OC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(F)cccc1F ZINC000359533275 427894737 /nfs/dbraw/zinc/89/47/37/427894737.db2.gz XKKOKPYZRQVQRQ-INIZCTEOSA-N 1 2 305.299 2.779 20 30 DFEDLO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460972 427917789 /nfs/dbraw/zinc/91/77/89/427917789.db2.gz PGYYTHDRIFPXKJ-QAPCUYQASA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1ccccc1[C@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460972 427917791 /nfs/dbraw/zinc/91/77/91/427917791.db2.gz PGYYTHDRIFPXKJ-QAPCUYQASA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460971 427918162 /nfs/dbraw/zinc/91/81/62/427918162.db2.gz PGYYTHDRIFPXKJ-MAUKXSAKSA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460971 427918166 /nfs/dbraw/zinc/91/81/66/427918166.db2.gz PGYYTHDRIFPXKJ-MAUKXSAKSA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCCNc1cccc[nH+]1 ZINC000359676541 427969443 /nfs/dbraw/zinc/96/94/43/427969443.db2.gz LEIZROJAFYYGBW-UHFFFAOYSA-N 1 2 321.359 2.895 20 30 DFEDLO N#Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)[nH]1 ZINC000355978640 427970549 /nfs/dbraw/zinc/97/05/49/427970549.db2.gz DFNFOAGPGNIPIX-UHFFFAOYSA-N 1 2 316.324 2.848 20 30 DFEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000369491473 427978370 /nfs/dbraw/zinc/97/83/70/427978370.db2.gz FHNXJIWYNKRMDG-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000369491473 427978373 /nfs/dbraw/zinc/97/83/73/427978373.db2.gz FHNXJIWYNKRMDG-UHFFFAOYSA-N 1 2 305.809 2.656 20 30 DFEDLO Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413188722 427986323 /nfs/dbraw/zinc/98/63/23/427986323.db2.gz HYTMALWHBHBKJT-HNNXBMFYSA-N 1 2 324.340 2.828 20 30 DFEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C)CC2)cc1C#N ZINC000340103440 427928005 /nfs/dbraw/zinc/92/80/05/427928005.db2.gz HZMCLGCNNYQTDI-UHFFFAOYSA-N 1 2 322.412 2.593 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC000350081746 427933524 /nfs/dbraw/zinc/93/35/24/427933524.db2.gz ZVLIQKLIPWQYEM-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC000350081746 427933529 /nfs/dbraw/zinc/93/35/29/427933529.db2.gz ZVLIQKLIPWQYEM-UHFFFAOYSA-N 1 2 303.362 2.829 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340842014 427941981 /nfs/dbraw/zinc/94/19/81/427941981.db2.gz UGGKDMNHBOVFBL-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340842014 427941985 /nfs/dbraw/zinc/94/19/85/427941985.db2.gz UGGKDMNHBOVFBL-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1nc(C#N)cs1)CC2 ZINC000356142310 428039904 /nfs/dbraw/zinc/03/99/04/428039904.db2.gz XGXCYNVTRFAZHH-UHFFFAOYSA-N 1 2 311.410 2.818 20 30 DFEDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1nc(C#N)cs1)CC2 ZINC000356142310 428039908 /nfs/dbraw/zinc/03/99/08/428039908.db2.gz XGXCYNVTRFAZHH-UHFFFAOYSA-N 1 2 311.410 2.818 20 30 DFEDLO C#CC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000369744925 428050203 /nfs/dbraw/zinc/05/02/03/428050203.db2.gz SLXROUZQKUTPQD-HNNXBMFYSA-N 1 2 314.433 2.673 20 30 DFEDLO CC(C)c1nc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356190923 428059246 /nfs/dbraw/zinc/05/92/46/428059246.db2.gz ISJHWOGAIXOJOH-UHFFFAOYSA-N 1 2 317.418 2.901 20 30 DFEDLO CN(C)c1nccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000341134398 428000041 /nfs/dbraw/zinc/00/00/41/428000041.db2.gz KFFVLDNPZRJMML-ZWKOTPCHSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1nccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000341134398 428000047 /nfs/dbraw/zinc/00/00/47/428000047.db2.gz KFFVLDNPZRJMML-ZWKOTPCHSA-N 1 2 321.428 2.814 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(SC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000356057772 428003073 /nfs/dbraw/zinc/00/30/73/428003073.db2.gz FHIFQFXOUISHPX-NSHDSACASA-N 1 2 317.501 2.645 20 30 DFEDLO C=CC[N@H+](Cc1ccc(SC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000356057772 428003081 /nfs/dbraw/zinc/00/30/81/428003081.db2.gz FHIFQFXOUISHPX-NSHDSACASA-N 1 2 317.501 2.645 20 30 DFEDLO C=C(CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)c1ccccc1 ZINC000413297001 428014329 /nfs/dbraw/zinc/01/43/29/428014329.db2.gz ISOFJWPXMMUPCW-DOTOQJQBSA-N 1 2 324.428 2.809 20 30 DFEDLO C=C(CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)c1ccccc1 ZINC000413297001 428014331 /nfs/dbraw/zinc/01/43/31/428014331.db2.gz ISOFJWPXMMUPCW-DOTOQJQBSA-N 1 2 324.428 2.809 20 30 DFEDLO C[C@H]1CN(c2ccc(Nc3ncccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000359995896 428108418 /nfs/dbraw/zinc/10/84/18/428108418.db2.gz UZNIOJVAXXZMFG-STQMWFEESA-N 1 2 309.373 2.705 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360009511 428115141 /nfs/dbraw/zinc/11/51/41/428115141.db2.gz GNLPYCWUABWZFM-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO N#Cc1c(F)ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1Cl ZINC000377388818 428118919 /nfs/dbraw/zinc/11/89/19/428118919.db2.gz FPUJMLPDXKKOJY-NSHDSACASA-N 1 2 304.756 2.721 20 30 DFEDLO N#CCC[N@H+](CCc1ccc2c(c1)OCCO2)Cc1ccccn1 ZINC000360019458 428119862 /nfs/dbraw/zinc/11/98/62/428119862.db2.gz YWESQGQKRFCDEW-UHFFFAOYSA-N 1 2 323.396 2.811 20 30 DFEDLO N#CCC[N@@H+](CCc1ccc2c(c1)OCCO2)Cc1ccccn1 ZINC000360019458 428119866 /nfs/dbraw/zinc/11/98/66/428119866.db2.gz YWESQGQKRFCDEW-UHFFFAOYSA-N 1 2 323.396 2.811 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc1 ZINC000351971671 428123330 /nfs/dbraw/zinc/12/33/30/428123330.db2.gz FABHABDJJMIGHW-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356316309 428123385 /nfs/dbraw/zinc/12/33/85/428123385.db2.gz JLGNHXGMCOJXJH-NSHDSACASA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356316309 428123390 /nfs/dbraw/zinc/12/33/90/428123390.db2.gz JLGNHXGMCOJXJH-NSHDSACASA-N 1 2 307.419 2.568 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 ZINC000341710006 428165071 /nfs/dbraw/zinc/16/50/71/428165071.db2.gz VPCHQAFPQSZMEP-IRXDYDNUSA-N 1 2 322.412 2.760 20 30 DFEDLO CCOCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000360131296 428176208 /nfs/dbraw/zinc/17/62/08/428176208.db2.gz LDMBQAITNBNEOQ-MRXNPFEDSA-N 1 2 308.809 2.839 20 30 DFEDLO CCOCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000360131296 428176213 /nfs/dbraw/zinc/17/62/13/428176213.db2.gz LDMBQAITNBNEOQ-MRXNPFEDSA-N 1 2 308.809 2.839 20 30 DFEDLO CCC(C)(C)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414162966 428221398 /nfs/dbraw/zinc/22/13/98/428221398.db2.gz MOLRRPMYHUCZHJ-MRXNPFEDSA-N 1 2 304.434 2.959 20 30 DFEDLO CCC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414162966 428221402 /nfs/dbraw/zinc/22/14/02/428221402.db2.gz MOLRRPMYHUCZHJ-MRXNPFEDSA-N 1 2 304.434 2.959 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468794 428192399 /nfs/dbraw/zinc/19/23/99/428192399.db2.gz COUDQUWYRWQLHK-QWHCGFSZSA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468794 428192403 /nfs/dbraw/zinc/19/24/03/428192403.db2.gz COUDQUWYRWQLHK-QWHCGFSZSA-N 1 2 307.825 2.826 20 30 DFEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000341991736 428272856 /nfs/dbraw/zinc/27/28/56/428272856.db2.gz OSAYDMCFWWWVIC-INIZCTEOSA-N 1 2 323.481 2.570 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cccc(OCC(F)F)c2)n1 ZINC000352836391 428273602 /nfs/dbraw/zinc/27/36/02/428273602.db2.gz SWCMGIHJKMKGJN-UHFFFAOYSA-N 1 2 309.341 2.948 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360307758 428245504 /nfs/dbraw/zinc/24/55/04/428245504.db2.gz FIEIVMPLFGEENN-CQSZACIVSA-N 1 2 314.433 2.745 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000378096160 428306996 /nfs/dbraw/zinc/30/69/96/428306996.db2.gz CDKVGKXJRNHKKV-CYBMUJFWSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000378096160 428306999 /nfs/dbraw/zinc/30/69/99/428306999.db2.gz CDKVGKXJRNHKKV-CYBMUJFWSA-N 1 2 300.337 2.768 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1OCCCC#N ZINC000414469925 428308543 /nfs/dbraw/zinc/30/85/43/428308543.db2.gz KNOVHLKZAPVDMF-HNNXBMFYSA-N 1 2 322.380 2.548 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1OCCCC#N ZINC000414469925 428308549 /nfs/dbraw/zinc/30/85/49/428308549.db2.gz KNOVHLKZAPVDMF-HNNXBMFYSA-N 1 2 322.380 2.548 20 30 DFEDLO COc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)ccc1C#N ZINC000414505545 428324402 /nfs/dbraw/zinc/32/44/02/428324402.db2.gz LVISROZGEUWCNL-UHFFFAOYSA-N 1 2 322.290 2.665 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000371019060 428342727 /nfs/dbraw/zinc/34/27/27/428342727.db2.gz ODSRJJHCPMMSDT-INIZCTEOSA-N 1 2 324.428 2.824 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000371019060 428342732 /nfs/dbraw/zinc/34/27/32/428342732.db2.gz ODSRJJHCPMMSDT-INIZCTEOSA-N 1 2 324.428 2.824 20 30 DFEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346872936 428352973 /nfs/dbraw/zinc/35/29/73/428352973.db2.gz REOBHVBPYXTAKB-UHFFFAOYSA-N 1 2 311.838 2.786 20 30 DFEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346872936 428352981 /nfs/dbraw/zinc/35/29/81/428352981.db2.gz REOBHVBPYXTAKB-UHFFFAOYSA-N 1 2 311.838 2.786 20 30 DFEDLO Cn1c(C[NH2+]Cc2nc(C#N)cs2)nc2cccc(Cl)c21 ZINC000352891498 428300619 /nfs/dbraw/zinc/30/06/19/428300619.db2.gz JQGQWMAKFZMBHB-UHFFFAOYSA-N 1 2 317.805 2.845 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1cccc(C#N)c1F ZINC000352893079 428301363 /nfs/dbraw/zinc/30/13/63/428301363.db2.gz LXYDDMCPLYXMES-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1cccc(C#N)c1F ZINC000352893079 428301372 /nfs/dbraw/zinc/30/13/72/428301372.db2.gz LXYDDMCPLYXMES-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO N#Cc1cc2c(nc1N[C@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000378333813 428366414 /nfs/dbraw/zinc/36/64/14/428366414.db2.gz OOASWGZTNHROHD-INIZCTEOSA-N 1 2 319.412 2.918 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2ccccc2c1=O ZINC000360738551 428422317 /nfs/dbraw/zinc/42/23/17/428422317.db2.gz PSJQUYCOQYLTRA-UHFFFAOYSA-N 1 2 312.398 2.608 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000378540716 428424770 /nfs/dbraw/zinc/42/47/70/428424770.db2.gz CTWXJEGWHDQYJY-MRXNPFEDSA-N 1 2 308.385 2.588 20 30 DFEDLO C=CCCOCCCCC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000342960159 428494966 /nfs/dbraw/zinc/49/49/66/428494966.db2.gz MGYQEORFMMLEEB-OAHLLOKOSA-N 1 2 305.422 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000373456289 428581606 /nfs/dbraw/zinc/58/16/06/428581606.db2.gz YYTABIYOUWKRFC-UVBJJODRSA-N 1 2 317.820 2.830 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000373456289 428581608 /nfs/dbraw/zinc/58/16/08/428581608.db2.gz YYTABIYOUWKRFC-UVBJJODRSA-N 1 2 317.820 2.830 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361626243 428581933 /nfs/dbraw/zinc/58/19/33/428581933.db2.gz XFJNGUBSRSRENH-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361626243 428581938 /nfs/dbraw/zinc/58/19/38/428581938.db2.gz XFJNGUBSRSRENH-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO CC#CCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000361641823 428586175 /nfs/dbraw/zinc/58/61/75/428586175.db2.gz DKHPYWHBARACMD-INIZCTEOSA-N 1 2 324.428 2.932 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@H](C)C#N ZINC000353455663 428546022 /nfs/dbraw/zinc/54/60/22/428546022.db2.gz RIDGNYLTOUVHNP-MCIONIFRSA-N 1 2 305.447 2.892 20 30 DFEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@H](C)C#N ZINC000353455663 428546029 /nfs/dbraw/zinc/54/60/29/428546029.db2.gz RIDGNYLTOUVHNP-MCIONIFRSA-N 1 2 305.447 2.892 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)C1CC1 ZINC000357548097 428546490 /nfs/dbraw/zinc/54/64/90/428546490.db2.gz AAAYFWQFVPPGPX-UHFFFAOYSA-N 1 2 318.402 2.695 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)C1CC1 ZINC000357548097 428546493 /nfs/dbraw/zinc/54/64/93/428546493.db2.gz AAAYFWQFVPPGPX-UHFFFAOYSA-N 1 2 318.402 2.695 20 30 DFEDLO C=CCN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000357566734 428548021 /nfs/dbraw/zinc/54/80/21/428548021.db2.gz GLSZMFLGMWUKHG-UHFFFAOYSA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000373314894 428548217 /nfs/dbraw/zinc/54/82/17/428548217.db2.gz ANCROZOWZKGJEL-MRXNPFEDSA-N 1 2 323.400 2.762 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000347339392 428553896 /nfs/dbraw/zinc/55/38/96/428553896.db2.gz CKCIIWYMCNGIHW-GOSISDBHSA-N 1 2 317.408 2.984 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000347339392 428553901 /nfs/dbraw/zinc/55/39/01/428553901.db2.gz CKCIIWYMCNGIHW-GOSISDBHSA-N 1 2 317.408 2.984 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OC)C1 ZINC000361372269 428559835 /nfs/dbraw/zinc/55/98/35/428559835.db2.gz MCJFQXOBGGVPLN-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000361372269 428559839 /nfs/dbraw/zinc/55/98/39/428559839.db2.gz MCJFQXOBGGVPLN-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO N#C[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000361391851 428563024 /nfs/dbraw/zinc/56/30/24/428563024.db2.gz TUGDFQNFPXEJPT-HNNXBMFYSA-N 1 2 317.458 2.695 20 30 DFEDLO N#C[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000361391851 428563030 /nfs/dbraw/zinc/56/30/30/428563030.db2.gz TUGDFQNFPXEJPT-HNNXBMFYSA-N 1 2 317.458 2.695 20 30 DFEDLO C[C@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000357831088 428565895 /nfs/dbraw/zinc/56/58/95/428565895.db2.gz OJTYGTLZNYEJHX-RISCZKNCSA-N 1 2 323.799 2.892 20 30 DFEDLO CCc1cnc(N2CC[NH+](Cc3ccccc3C#N)CC2)s1 ZINC000353571891 428600311 /nfs/dbraw/zinc/60/03/11/428600311.db2.gz IYOVUBREWOFQDO-UHFFFAOYSA-N 1 2 312.442 2.899 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000362060199 428614336 /nfs/dbraw/zinc/61/43/36/428614336.db2.gz XZXZNFLNIZQNJQ-UHFFFAOYSA-N 1 2 313.357 2.716 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000362060199 428614341 /nfs/dbraw/zinc/61/43/41/428614341.db2.gz XZXZNFLNIZQNJQ-UHFFFAOYSA-N 1 2 313.357 2.716 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc2ncccc21 ZINC000347690043 428619247 /nfs/dbraw/zinc/61/92/47/428619247.db2.gz LTTAXNFPNJHFQF-GZBFAFLISA-N 1 2 308.385 2.844 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000347705179 428621756 /nfs/dbraw/zinc/62/17/56/428621756.db2.gz MEADALYTRGBGKP-PWSUYJOCSA-N 1 2 307.781 2.569 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000347696625 428621903 /nfs/dbraw/zinc/62/19/03/428621903.db2.gz XBXKAXICNXMWTM-GXFFZTMASA-N 1 2 307.781 2.569 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000358676865 428625717 /nfs/dbraw/zinc/62/57/17/428625717.db2.gz BADHHNWFDGGMBY-UHFFFAOYSA-N 1 2 317.437 2.903 20 30 DFEDLO C=CCOCCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000348030775 428634809 /nfs/dbraw/zinc/63/48/09/428634809.db2.gz JGRHYGKSLVFTMD-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO C=CCOCCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000348030775 428634811 /nfs/dbraw/zinc/63/48/11/428634811.db2.gz JGRHYGKSLVFTMD-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO C[C@H](CCC(C)(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347951661 428633275 /nfs/dbraw/zinc/63/32/75/428633275.db2.gz XNMFKIVQZXPTAO-MRXNPFEDSA-N 1 2 323.481 2.523 20 30 DFEDLO C=C(Br)C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373755694 428645966 /nfs/dbraw/zinc/64/59/66/428645966.db2.gz AOBBQEYJMCZNED-CYBMUJFWSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373755694 428645971 /nfs/dbraw/zinc/64/59/71/428645971.db2.gz AOBBQEYJMCZNED-CYBMUJFWSA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373985819 428657795 /nfs/dbraw/zinc/65/77/95/428657795.db2.gz ZTKGTEPAYMNCIQ-RWMBFGLXSA-N 1 2 304.228 2.553 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373985819 428657801 /nfs/dbraw/zinc/65/78/01/428657801.db2.gz ZTKGTEPAYMNCIQ-RWMBFGLXSA-N 1 2 304.228 2.553 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000362190175 428654928 /nfs/dbraw/zinc/65/49/28/428654928.db2.gz ZXUXYSWYQLLVBC-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000362190175 428654933 /nfs/dbraw/zinc/65/49/33/428654933.db2.gz ZXUXYSWYQLLVBC-UHFFFAOYSA-N 1 2 307.360 2.659 20 30 DFEDLO C=C(C)C[N@@H+](Cc1nc(CCOC)no1)Cc1ccccc1 ZINC000348230584 428669237 /nfs/dbraw/zinc/66/92/37/428669237.db2.gz HDOMREZQWOBYPR-UHFFFAOYSA-N 1 2 301.390 2.837 20 30 DFEDLO C=C(C)C[N@H+](Cc1nc(CCOC)no1)Cc1ccccc1 ZINC000348230584 428669242 /nfs/dbraw/zinc/66/92/42/428669242.db2.gz HDOMREZQWOBYPR-UHFFFAOYSA-N 1 2 301.390 2.837 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000374582555 428702717 /nfs/dbraw/zinc/70/27/17/428702717.db2.gz DBUOMGLWXLBZSY-OAHLLOKOSA-N 1 2 303.381 2.629 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000374582555 428702720 /nfs/dbraw/zinc/70/27/20/428702720.db2.gz DBUOMGLWXLBZSY-OAHLLOKOSA-N 1 2 303.381 2.629 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000348321393 428707246 /nfs/dbraw/zinc/70/72/46/428707246.db2.gz ZPOXPKGVDVTBAE-OAHLLOKOSA-N 1 2 309.369 2.794 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000362371329 428723581 /nfs/dbraw/zinc/72/35/81/428723581.db2.gz QLPLFCSYLBVUQW-SMDDNHRTSA-N 1 2 302.353 2.522 20 30 DFEDLO Cn1nccc1C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000348381910 428725069 /nfs/dbraw/zinc/72/50/69/428725069.db2.gz WYOBPUSQEAFKGN-UHFFFAOYSA-N 1 2 323.318 2.802 20 30 DFEDLO Cn1nccc1C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000348381910 428725075 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/nfs/dbraw/zinc/19/16/31/429191631.db2.gz HECCAMGDUMPRRV-UHFFFAOYSA-N 1 2 308.385 2.912 20 30 DFEDLO COc1cc(CNc2ccc(N3CCCCC3)c[nH+]2)ccc1C#N ZINC000440804643 429227561 /nfs/dbraw/zinc/22/75/61/429227561.db2.gz HYGZPTTVJHASFM-UHFFFAOYSA-N 1 2 322.412 3.564 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000364595580 429230754 /nfs/dbraw/zinc/23/07/54/429230754.db2.gz PDJHATJRNLAICA-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000364595580 429230758 /nfs/dbraw/zinc/23/07/58/429230758.db2.gz PDJHATJRNLAICA-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364411364 429198051 /nfs/dbraw/zinc/19/80/51/429198051.db2.gz KSOVLQDMYPVJQN-QGZVFWFLSA-N 1 2 322.412 2.756 20 30 DFEDLO C=C(C)COCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425211159 429245909 /nfs/dbraw/zinc/24/59/09/429245909.db2.gz XJHZHDBDGPFSHT-INIZCTEOSA-N 1 2 313.401 2.641 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000425262168 429253061 /nfs/dbraw/zinc/25/30/61/429253061.db2.gz GFAHQSPOEYMXII-SGTLLEGYSA-N 1 2 316.376 2.945 20 30 DFEDLO Cc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000497015532 429318259 /nfs/dbraw/zinc/31/82/59/429318259.db2.gz JPZPQFLDDAVBCR-UHFFFAOYSA-N 1 2 316.405 2.709 20 30 DFEDLO Cc1cc(NCC2(NC(=O)OC(C)(C)C)CCC2)c(C#N)c[nH+]1 ZINC000497063100 429318272 /nfs/dbraw/zinc/31/82/72/429318272.db2.gz LVDCYLYFZIGKHQ-UHFFFAOYSA-N 1 2 316.405 2.543 20 30 DFEDLO C#CC[N@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491180052 429331418 /nfs/dbraw/zinc/33/14/18/429331418.db2.gz JKMMGOIJQWCUPJ-GOSISDBHSA-N 1 2 317.454 2.576 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491180052 429331423 /nfs/dbraw/zinc/33/14/23/429331423.db2.gz JKMMGOIJQWCUPJ-GOSISDBHSA-N 1 2 317.454 2.576 20 30 DFEDLO N#Cc1cccc(C#N)c1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365557933 429340367 /nfs/dbraw/zinc/34/03/67/429340367.db2.gz QWYYVQMLEUDTES-INIZCTEOSA-N 1 2 303.369 2.906 20 30 DFEDLO C#CC[N@@H+](Cn1ncn(CCCOC)c1=S)C1CCCCC1 ZINC000490648926 429298542 /nfs/dbraw/zinc/29/85/42/429298542.db2.gz DDZCWWLFLGMSCP-UHFFFAOYSA-N 1 2 322.478 2.676 20 30 DFEDLO C#CC[N@H+](Cn1ncn(CCCOC)c1=S)C1CCCCC1 ZINC000490648926 429298546 /nfs/dbraw/zinc/29/85/46/429298546.db2.gz DDZCWWLFLGMSCP-UHFFFAOYSA-N 1 2 322.478 2.676 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425454717 429302243 /nfs/dbraw/zinc/30/22/43/429302243.db2.gz FDOQHKXJEDHBLA-INIZCTEOSA-N 1 2 320.433 2.549 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425454717 429302247 /nfs/dbraw/zinc/30/22/47/429302247.db2.gz FDOQHKXJEDHBLA-INIZCTEOSA-N 1 2 320.433 2.549 20 30 DFEDLO C#CCN(CC)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000490971915 429316746 /nfs/dbraw/zinc/31/67/46/429316746.db2.gz DVZFPPMJYBROHR-UHFFFAOYSA-N 1 2 321.424 2.708 20 30 DFEDLO C#CCN(CC)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000490971915 429316749 /nfs/dbraw/zinc/31/67/49/429316749.db2.gz DVZFPPMJYBROHR-UHFFFAOYSA-N 1 2 321.424 2.708 20 30 DFEDLO C#C[C@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000491741002 429400265 /nfs/dbraw/zinc/40/02/65/429400265.db2.gz FHIRDWSGHIWBRR-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C#C[C@H](CCC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000491741002 429400268 /nfs/dbraw/zinc/40/02/68/429400268.db2.gz FHIRDWSGHIWBRR-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C#CC[N@H+](Cc1ncc(C2OCCO2)s1)C1CCCCC1 ZINC000491776134 429407801 /nfs/dbraw/zinc/40/78/01/429407801.db2.gz FQKRUYPLVYUZAS-UHFFFAOYSA-N 1 2 306.431 2.956 20 30 DFEDLO C#CC[N@@H+](Cc1ncc(C2OCCO2)s1)C1CCCCC1 ZINC000491776134 429407805 /nfs/dbraw/zinc/40/78/05/429407805.db2.gz FQKRUYPLVYUZAS-UHFFFAOYSA-N 1 2 306.431 2.956 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cn2cnc3cc(C)c(C)cc32)n1 ZINC000491363112 429351152 /nfs/dbraw/zinc/35/11/52/429351152.db2.gz XUCNFHGOBGWBJK-UHFFFAOYSA-N 1 2 321.428 2.962 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cn2cnc3cc(C)c(C)cc32)n1 ZINC000491363112 429351155 /nfs/dbraw/zinc/35/11/55/429351155.db2.gz XUCNFHGOBGWBJK-UHFFFAOYSA-N 1 2 321.428 2.962 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000456863501 429358321 /nfs/dbraw/zinc/35/83/21/429358321.db2.gz RBQQYUKOGCEADU-CQSZACIVSA-N 1 2 309.369 2.654 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000491507791 429366793 /nfs/dbraw/zinc/36/67/93/429366793.db2.gz XDGGQOACHYLKGD-CYBMUJFWSA-N 1 2 312.369 2.972 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000491507791 429366799 /nfs/dbraw/zinc/36/67/99/429366799.db2.gz XDGGQOACHYLKGD-CYBMUJFWSA-N 1 2 312.369 2.972 20 30 DFEDLO C#C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000491569016 429375910 /nfs/dbraw/zinc/37/59/10/429375910.db2.gz TXXLECFHHHTJMS-ZWKOTPCHSA-N 1 2 310.372 2.919 20 30 DFEDLO C#C[C@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491624087 429379687 /nfs/dbraw/zinc/37/96/87/429379687.db2.gz JKKPGUYRQSTQHP-AEFFLSMTSA-N 1 2 324.428 2.952 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(OC)c(Cl)c2)n1 ZINC000491621770 429380562 /nfs/dbraw/zinc/38/05/62/429380562.db2.gz DLBYSDXTWFCRFX-UHFFFAOYSA-N 1 2 318.808 2.595 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(OC)c(Cl)c2)n1 ZINC000491621770 429380564 /nfs/dbraw/zinc/38/05/64/429380564.db2.gz DLBYSDXTWFCRFX-UHFFFAOYSA-N 1 2 318.808 2.595 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000491646232 429384285 /nfs/dbraw/zinc/38/42/85/429384285.db2.gz SAIUXGAZZVKUQD-UONOGXRCSA-N 1 2 315.442 2.830 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000491646232 429384290 /nfs/dbraw/zinc/38/42/90/429384290.db2.gz SAIUXGAZZVKUQD-UONOGXRCSA-N 1 2 315.442 2.830 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516979132 429384797 /nfs/dbraw/zinc/38/47/97/429384797.db2.gz LROYFTRXYXQCSN-ZDUSSCGKSA-N 1 2 301.365 2.942 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516979132 429384800 /nfs/dbraw/zinc/38/48/00/429384800.db2.gz LROYFTRXYXQCSN-ZDUSSCGKSA-N 1 2 301.365 2.942 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)o1 ZINC000366276035 429446187 /nfs/dbraw/zinc/44/61/87/429446187.db2.gz XJDXDVVQRXXDOD-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nnc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)o1 ZINC000366276035 429446190 /nfs/dbraw/zinc/44/61/90/429446190.db2.gz XJDXDVVQRXXDOD-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(C#N)cn1C ZINC000366530699 429470810 /nfs/dbraw/zinc/47/08/10/429470810.db2.gz MVLUPKNGVFITNI-UHFFFAOYSA-N 1 2 305.341 2.848 20 30 DFEDLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1C#N ZINC000449602309 429459414 /nfs/dbraw/zinc/45/94/14/429459414.db2.gz ONURCJFSYSHEKW-HNNXBMFYSA-N 1 2 321.371 2.603 20 30 DFEDLO Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1C#N ZINC000449602309 429459418 /nfs/dbraw/zinc/45/94/18/429459418.db2.gz ONURCJFSYSHEKW-HNNXBMFYSA-N 1 2 321.371 2.603 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000491811872 429413713 /nfs/dbraw/zinc/41/37/13/429413713.db2.gz MSFLJSJJOATWMD-CYBMUJFWSA-N 1 2 313.426 2.778 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000491811872 429413716 /nfs/dbraw/zinc/41/37/16/429413716.db2.gz MSFLJSJJOATWMD-CYBMUJFWSA-N 1 2 313.426 2.778 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000491924481 429435453 /nfs/dbraw/zinc/43/54/53/429435453.db2.gz IXTOQFAREMDAKA-BQYQJAHWSA-N 1 2 308.385 2.740 20 30 DFEDLO C=CC[C@H](CC)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000519698734 429480081 /nfs/dbraw/zinc/48/00/81/429480081.db2.gz BDVSVJHSSSDTDO-QWRGUYRKSA-N 1 2 303.328 2.927 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000366604710 429486697 /nfs/dbraw/zinc/48/66/97/429486697.db2.gz AUXZIKPVCJESQH-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)CCC2 ZINC000366684917 429493953 /nfs/dbraw/zinc/49/39/53/429493953.db2.gz GDJSWTJUEDTIDK-LBPRGKRZSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1cc(NC(=O)C=Cc2ccc(OCC#N)cc2)c(C)c[nH+]1 ZINC000492295799 429504521 /nfs/dbraw/zinc/50/45/21/429504521.db2.gz MUUFMHITZQAXLJ-VMPITWQZSA-N 1 2 307.353 2.675 20 30 DFEDLO N#Cc1cccc(CCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000366990668 429554521 /nfs/dbraw/zinc/55/45/21/429554521.db2.gz PICOXMUVALAFEB-INIZCTEOSA-N 1 2 323.400 2.761 20 30 DFEDLO COC(=O)N1CCC([C@@H](C)/[NH+]=C\c2cc(OC)ccc2O)CC1 ZINC000492531561 429558635 /nfs/dbraw/zinc/55/86/35/429558635.db2.gz MFXRBIQUNMGYOG-OTWJJXBCSA-N 1 2 320.389 2.687 20 30 DFEDLO N#Cc1nccc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000521643988 429560597 /nfs/dbraw/zinc/56/05/97/429560597.db2.gz UWBSLCXUWVVEIR-OLZOCXBDSA-N 1 2 318.384 2.785 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428951564 429563748 /nfs/dbraw/zinc/56/37/48/429563748.db2.gz JVPYRGNUUBLCKH-BMGDILEWSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428951564 429563753 /nfs/dbraw/zinc/56/37/53/429563753.db2.gz JVPYRGNUUBLCKH-BMGDILEWSA-N 1 2 318.392 2.713 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000450068175 429563713 /nfs/dbraw/zinc/56/37/13/429563713.db2.gz ODCRMCQKGHNSRC-HNAYVOBHSA-N 1 2 322.412 2.682 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC[C@H]3CC3CCC3)n2c1 ZINC000521921433 429570146 /nfs/dbraw/zinc/57/01/46/429570146.db2.gz FSJWTMWEANSTQL-MRXNPFEDSA-N 1 2 310.401 2.597 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC[C@H]3CC3CCC3)n2c1 ZINC000521921433 429570152 /nfs/dbraw/zinc/57/01/52/429570152.db2.gz FSJWTMWEANSTQL-MRXNPFEDSA-N 1 2 310.401 2.597 20 30 DFEDLO CC[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1[nH]cc[nH+]1 ZINC000492619012 429579778 /nfs/dbraw/zinc/57/97/78/429579778.db2.gz GZFUPLLKBOFCRT-SBJJXXPASA-N 1 2 310.357 2.593 20 30 DFEDLO N#CCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000521150951 429540260 /nfs/dbraw/zinc/54/02/60/429540260.db2.gz FFWXYJGGVZZWDZ-UHFFFAOYSA-N 1 2 314.364 2.925 20 30 DFEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000450474305 429636768 /nfs/dbraw/zinc/63/67/68/429636768.db2.gz PXLJULSYSULSIP-QFBILLFUSA-N 1 2 309.413 2.962 20 30 DFEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000450474305 429636772 /nfs/dbraw/zinc/63/67/72/429636772.db2.gz PXLJULSYSULSIP-QFBILLFUSA-N 1 2 309.413 2.962 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCn1cc[nH+]c1 ZINC000429848849 429636746 /nfs/dbraw/zinc/63/67/46/429636746.db2.gz SQACKGCBGBINCT-UHFFFAOYSA-N 1 2 310.382 2.708 20 30 DFEDLO C=CC[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(OC)cc1 ZINC000450274803 429590871 /nfs/dbraw/zinc/59/08/71/429590871.db2.gz CMMLPTOMTDYDAM-UHFFFAOYSA-N 1 2 312.417 2.885 20 30 DFEDLO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(OC)cc1 ZINC000450274803 429590873 /nfs/dbraw/zinc/59/08/73/429590873.db2.gz CMMLPTOMTDYDAM-UHFFFAOYSA-N 1 2 312.417 2.885 20 30 DFEDLO C[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429345683 429600847 /nfs/dbraw/zinc/60/08/47/429600847.db2.gz DMLQBQZVOUECQQ-UHFFFAOYSA-N 1 2 314.614 2.726 20 30 DFEDLO C[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000450379926 429614000 /nfs/dbraw/zinc/61/40/00/429614000.db2.gz QFBFFFBDDVUZLP-WFASDCNBSA-N 1 2 311.345 2.750 20 30 DFEDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459397781 429696859 /nfs/dbraw/zinc/69/68/59/429696859.db2.gz JWISTHGGMXOCHR-GDBMZVCRSA-N 1 2 317.389 2.695 20 30 DFEDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459397781 429696865 /nfs/dbraw/zinc/69/68/65/429696865.db2.gz JWISTHGGMXOCHR-GDBMZVCRSA-N 1 2 317.389 2.695 20 30 DFEDLO C=CCNC(=O)c1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000096980594 335087722 /nfs/dbraw/zinc/08/77/22/335087722.db2.gz VPSSKFZQABYCMA-UHFFFAOYSA-N 1 2 306.369 2.862 20 30 DFEDLO Cc1nn(C(C)C)cc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459620395 429700618 /nfs/dbraw/zinc/70/06/18/429700618.db2.gz WEQGZEZLSRFLTB-UHFFFAOYSA-N 1 2 310.401 2.907 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc[nH+]cc1C ZINC000479054158 429719499 /nfs/dbraw/zinc/71/94/99/429719499.db2.gz XFVDCDFXYRVJRZ-UHFFFAOYSA-N 1 2 315.373 2.507 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]1c1cccs1 ZINC000367801973 429720425 /nfs/dbraw/zinc/72/04/25/429720425.db2.gz CJIYUBGVGGZDRN-AWEZNQCLSA-N 1 2 303.431 2.693 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]1c1cccs1 ZINC000367801973 429720429 /nfs/dbraw/zinc/72/04/29/429720429.db2.gz CJIYUBGVGGZDRN-AWEZNQCLSA-N 1 2 303.431 2.693 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C(=O)OC ZINC000482435360 429727006 /nfs/dbraw/zinc/72/70/06/429727006.db2.gz GOZOPSRRUQVMNG-BZSNNMDCSA-N 1 2 317.429 2.732 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1)C1CC1 ZINC000367866824 429733085 /nfs/dbraw/zinc/73/30/85/429733085.db2.gz VPEYIPKBFHXLDR-WBVHZDCISA-N 1 2 317.458 2.939 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1)C1CC1 ZINC000367866824 429733092 /nfs/dbraw/zinc/73/30/92/429733092.db2.gz VPEYIPKBFHXLDR-WBVHZDCISA-N 1 2 317.458 2.939 20 30 DFEDLO CCc1cc(OCC(=O)NC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000527370512 429747559 /nfs/dbraw/zinc/74/75/59/429747559.db2.gz SEHMYKBUYYOAPO-UHFFFAOYSA-N 1 2 309.369 2.738 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485909442 429748626 /nfs/dbraw/zinc/74/86/26/429748626.db2.gz XKTHBJFTNSZYSD-SFHVURJKSA-N 1 2 319.832 2.819 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485909442 429748628 /nfs/dbraw/zinc/74/86/28/429748628.db2.gz XKTHBJFTNSZYSD-SFHVURJKSA-N 1 2 319.832 2.819 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368027192 429769974 /nfs/dbraw/zinc/76/99/74/429769974.db2.gz UOVBRVOEBLYHRT-HNNXBMFYSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368027192 429769979 /nfs/dbraw/zinc/76/99/79/429769979.db2.gz UOVBRVOEBLYHRT-HNNXBMFYSA-N 1 2 304.756 2.994 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(OCC#N)cc2)c2[nH+]ccn21 ZINC000493579618 429788518 /nfs/dbraw/zinc/78/85/18/429788518.db2.gz GWUDREWLKWGSQO-JVZFRSLZSA-N 1 2 322.368 2.621 20 30 DFEDLO C=CCCCCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368408510 429844660 /nfs/dbraw/zinc/84/46/60/429844660.db2.gz DBBCOQAKXLBLSU-OAHLLOKOSA-N 1 2 302.422 2.706 20 30 DFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000451556366 429854207 /nfs/dbraw/zinc/85/42/07/429854207.db2.gz DBIIIZXBLUWADT-QMTHXVAHSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000451556366 429854211 /nfs/dbraw/zinc/85/42/11/429854211.db2.gz DBIIIZXBLUWADT-QMTHXVAHSA-N 1 2 321.446 2.532 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(F)c1C#N ZINC000369351524 429928759 /nfs/dbraw/zinc/92/87/59/429928759.db2.gz DKXMWRYPTACSBE-UHFFFAOYSA-N 1 2 312.348 2.502 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1Cl ZINC000368895821 429900844 /nfs/dbraw/zinc/90/08/44/429900844.db2.gz KPEWBQOXXMRRPM-LBPRGKRZSA-N 1 2 319.771 2.779 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1Cl ZINC000368895821 429900845 /nfs/dbraw/zinc/90/08/45/429900845.db2.gz KPEWBQOXXMRRPM-LBPRGKRZSA-N 1 2 319.771 2.779 20 30 DFEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC3 ZINC000369029898 429908090 /nfs/dbraw/zinc/90/80/90/429908090.db2.gz ZRXHZIUKESRCBW-AWEZNQCLSA-N 1 2 324.428 2.595 20 30 DFEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC3 ZINC000369029898 429908092 /nfs/dbraw/zinc/90/80/92/429908092.db2.gz ZRXHZIUKESRCBW-AWEZNQCLSA-N 1 2 324.428 2.595 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794181 429916609 /nfs/dbraw/zinc/91/66/09/429916609.db2.gz PZFNEYYWHAYZCA-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794181 429916610 /nfs/dbraw/zinc/91/66/10/429916610.db2.gz PZFNEYYWHAYZCA-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000557027611 429926133 /nfs/dbraw/zinc/92/61/33/429926133.db2.gz PYYVTAARSLQZQD-ZDUSSCGKSA-N 1 2 313.430 2.995 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000557027611 429926138 /nfs/dbraw/zinc/92/61/38/429926138.db2.gz PYYVTAARSLQZQD-ZDUSSCGKSA-N 1 2 313.430 2.995 20 30 DFEDLO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000558118997 429962948 /nfs/dbraw/zinc/96/29/48/429962948.db2.gz VTFVJMPRTIFKAZ-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@]1(CO)CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000558118997 429962954 /nfs/dbraw/zinc/96/29/54/429962954.db2.gz VTFVJMPRTIFKAZ-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000573806840 429984275 /nfs/dbraw/zinc/98/42/75/429984275.db2.gz PDNHXQDWRFCGMT-GOSISDBHSA-N 1 2 323.352 2.558 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000573806840 429984278 /nfs/dbraw/zinc/98/42/78/429984278.db2.gz PDNHXQDWRFCGMT-GOSISDBHSA-N 1 2 323.352 2.558 20 30 DFEDLO C=CCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000574518927 430049429 /nfs/dbraw/zinc/04/94/29/430049429.db2.gz PWEVFHZVMLYEJZ-UHFFFAOYSA-N 1 2 323.418 2.770 20 30 DFEDLO Cc1nc2[nH]ccc2c(N(C)CCOCc2ccc(C#N)cc2)[nH+]1 ZINC000574232024 430023618 /nfs/dbraw/zinc/02/36/18/430023618.db2.gz OQQSUFPYKPYBMR-UHFFFAOYSA-N 1 2 321.384 2.791 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(Cl)c(F)c(Cl)c1 ZINC000576936086 430108669 /nfs/dbraw/zinc/10/86/69/430108669.db2.gz BMPBTJHCYMWBFA-SNVBAGLBSA-N 1 2 320.195 2.751 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(Cl)c(F)c(Cl)c1 ZINC000576936086 430108673 /nfs/dbraw/zinc/10/86/73/430108673.db2.gz BMPBTJHCYMWBFA-SNVBAGLBSA-N 1 2 320.195 2.751 20 30 DFEDLO C[C@H](C#N)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000531543296 430144247 /nfs/dbraw/zinc/14/42/47/430144247.db2.gz MOXHBYMXVZWEJB-NWDGAFQWSA-N 1 2 321.450 2.656 20 30 DFEDLO C[C@H](C#N)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000531543296 430144252 /nfs/dbraw/zinc/14/42/52/430144252.db2.gz MOXHBYMXVZWEJB-NWDGAFQWSA-N 1 2 321.450 2.656 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)NCCCCn1cc[nH+]c1 ZINC000540917500 430182830 /nfs/dbraw/zinc/18/28/30/430182830.db2.gz KUCNJXATANYZII-UHFFFAOYSA-N 1 2 316.405 2.697 20 30 DFEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356208929 277048641 /nfs/dbraw/zinc/04/86/41/277048641.db2.gz CXEUZXJQUNTCIF-UHFFFAOYSA-N 1 2 314.307 2.960 20 30 DFEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356208929 277048644 /nfs/dbraw/zinc/04/86/44/277048644.db2.gz CXEUZXJQUNTCIF-UHFFFAOYSA-N 1 2 314.307 2.960 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000565371443 430207861 /nfs/dbraw/zinc/20/78/61/430207861.db2.gz CCYCNNYXCIFYBW-CQSZACIVSA-N 1 2 320.396 2.776 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000565371443 430207868 /nfs/dbraw/zinc/20/78/68/430207868.db2.gz CCYCNNYXCIFYBW-CQSZACIVSA-N 1 2 320.396 2.776 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H](CC)c2ccc(F)cc2F)nn1 ZINC000641059208 430316344 /nfs/dbraw/zinc/31/63/44/430316344.db2.gz JMHSSQNUBATFBB-MRXNPFEDSA-N 1 2 304.344 2.669 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(OC(F)F)cc2)nn1 ZINC000641059945 430316502 /nfs/dbraw/zinc/31/65/02/430316502.db2.gz DJCVLJQPVVADGE-LBPRGKRZSA-N 1 2 320.343 2.602 20 30 DFEDLO CC#CC[NH2+]Cc1cn(C/C=C/c2ccc(Cl)cc2)nn1 ZINC000641117433 430333258 /nfs/dbraw/zinc/33/32/58/430333258.db2.gz UICOKBDJRIHIMO-SNAWJCMRSA-N 1 2 300.793 2.758 20 30 DFEDLO CC#CC[NH2+]Cc1cn(C/C=C\c2ccc(Cl)cc2)nn1 ZINC000641117432 430333760 /nfs/dbraw/zinc/33/37/60/430333760.db2.gz UICOKBDJRIHIMO-PLNGDYQASA-N 1 2 300.793 2.758 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507417 430364076 /nfs/dbraw/zinc/36/40/76/430364076.db2.gz XEXIDBDPIQQUHH-KBPBESRZSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507417 430364080 /nfs/dbraw/zinc/36/40/80/430364080.db2.gz XEXIDBDPIQQUHH-KBPBESRZSA-N 1 2 313.401 2.529 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000583997747 430450288 /nfs/dbraw/zinc/45/02/88/430450288.db2.gz RNFPOYVJDZSIFP-MMPTUQATSA-N 1 2 323.799 2.543 20 30 DFEDLO CCCCNc1cc(N[C@H](C)c2cccc(C#N)c2)nc(N)[nH+]1 ZINC000587988970 430482477 /nfs/dbraw/zinc/48/24/77/430482477.db2.gz SMMALTMUFKIGKI-GFCCVEGCSA-N 1 2 310.405 2.737 20 30 DFEDLO CCCCNc1cc(N[C@H](C)c2cccc(C#N)c2)[nH+]c(N)n1 ZINC000587988970 430482483 /nfs/dbraw/zinc/48/24/83/430482483.db2.gz SMMALTMUFKIGKI-GFCCVEGCSA-N 1 2 310.405 2.737 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNc1cc(C#N)cc(C)n1 ZINC000587731580 430482942 /nfs/dbraw/zinc/48/29/42/430482942.db2.gz PMPMQOJBKGFRAB-UHFFFAOYSA-N 1 2 305.385 3.286 20 30 DFEDLO C=CC[C@@H](CO)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642221903 430506342 /nfs/dbraw/zinc/50/63/42/430506342.db2.gz YTDFDNLEIZMJBP-SNVBAGLBSA-N 1 2 300.337 2.847 20 30 DFEDLO N#Cc1cnnc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000596285790 430512816 /nfs/dbraw/zinc/51/28/16/430512816.db2.gz DDJPAAWJTXJKFB-KGLIPLIRSA-N 1 2 318.384 3.363 20 30 DFEDLO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)nc2ccccc12 ZINC000599133732 430527301 /nfs/dbraw/zinc/52/73/01/430527301.db2.gz LNZJLJHTEVKGJK-CYBMUJFWSA-N 1 2 316.355 3.248 20 30 DFEDLO N#Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)nc2ccccc12 ZINC000599133732 430527304 /nfs/dbraw/zinc/52/73/04/430527304.db2.gz LNZJLJHTEVKGJK-CYBMUJFWSA-N 1 2 316.355 3.248 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639112463 430529749 /nfs/dbraw/zinc/52/97/49/430529749.db2.gz QUPHGTLRHMPGHE-GFCCVEGCSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639112463 430529754 /nfs/dbraw/zinc/52/97/54/430529754.db2.gz QUPHGTLRHMPGHE-GFCCVEGCSA-N 1 2 314.838 2.528 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCCc1ccc(F)cc1 ZINC000570336487 430535244 /nfs/dbraw/zinc/53/52/44/430535244.db2.gz RHARIWAUTOGPHT-SFHVURJKSA-N 1 2 319.424 2.889 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000639265797 430593067 /nfs/dbraw/zinc/59/30/67/430593067.db2.gz JRLMEONAUHGSOJ-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000639265797 430593071 /nfs/dbraw/zinc/59/30/71/430593071.db2.gz JRLMEONAUHGSOJ-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)nn1 ZINC000639365561 430621226 /nfs/dbraw/zinc/62/12/26/430621226.db2.gz DURAFNOEWMNJER-MSOLQXFVSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)nn1 ZINC000639365561 430621227 /nfs/dbraw/zinc/62/12/27/430621227.db2.gz DURAFNOEWMNJER-MSOLQXFVSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1 ZINC000643773090 430630606 /nfs/dbraw/zinc/63/06/06/430630606.db2.gz DDFHDRMYUCURNH-SJORKVTESA-N 1 2 313.401 2.937 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1 ZINC000643773090 430630608 /nfs/dbraw/zinc/63/06/08/430630608.db2.gz DDFHDRMYUCURNH-SJORKVTESA-N 1 2 313.401 2.937 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c3c(cccc31)CC2 ZINC000571516415 430633295 /nfs/dbraw/zinc/63/32/95/430633295.db2.gz NREODONNLDIYOR-MRXNPFEDSA-N 1 2 309.413 2.557 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c3c(cccc31)CC2 ZINC000571516415 430633299 /nfs/dbraw/zinc/63/32/99/430633299.db2.gz NREODONNLDIYOR-MRXNPFEDSA-N 1 2 309.413 2.557 20 30 DFEDLO C[C@](C#N)(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000554423815 430635974 /nfs/dbraw/zinc/63/59/74/430635974.db2.gz BIUCIESNQIDBNQ-GOSISDBHSA-N 1 2 323.400 2.860 20 30 DFEDLO C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124560989 278357697 /nfs/dbraw/zinc/35/76/97/278357697.db2.gz UCEHSXGKZBQUJU-MAUKXSAKSA-N 1 2 322.412 2.797 20 30 DFEDLO C=CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C1CC1 ZINC000654981925 430857192 /nfs/dbraw/zinc/85/71/92/430857192.db2.gz CQRVCIPUOBSNEC-LLVKDONJSA-N 1 2 301.312 2.633 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665389628 430919205 /nfs/dbraw/zinc/91/92/05/430919205.db2.gz MHFMUWYHEHJPPZ-GJZGRUSLSA-N 1 2 302.422 2.852 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000652064187 430952556 /nfs/dbraw/zinc/95/25/56/430952556.db2.gz HEGMOACLVFJNPQ-IAGOWNOFSA-N 1 2 303.402 2.630 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000652064187 430952561 /nfs/dbraw/zinc/95/25/61/430952561.db2.gz HEGMOACLVFJNPQ-IAGOWNOFSA-N 1 2 303.402 2.630 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000665847436 431050390 /nfs/dbraw/zinc/05/03/90/431050390.db2.gz SBHRTFIDFPKYTN-GFCCVEGCSA-N 1 2 300.362 2.868 20 30 DFEDLO C=C(CC)CNC(=O)NCCn1c2ccccc2[nH+]c1CC ZINC000655585264 431055342 /nfs/dbraw/zinc/05/53/42/431055342.db2.gz UDSYNMYIHONRBW-UHFFFAOYSA-N 1 2 300.406 2.864 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662364163 431059883 /nfs/dbraw/zinc/05/98/83/431059883.db2.gz NQFZDQDETAISKA-WWGRRREGSA-N 1 2 318.408 2.544 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662364163 431059891 /nfs/dbraw/zinc/05/98/91/431059891.db2.gz NQFZDQDETAISKA-WWGRRREGSA-N 1 2 318.408 2.544 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665899691 431063348 /nfs/dbraw/zinc/06/33/48/431063348.db2.gz XSELIXKQXWBPKR-MRXNPFEDSA-N 1 2 324.428 2.675 20 30 DFEDLO Cn1cc(C[N@@H+]2CC(=O)Nc3cccc4c3[C@H]2CCC4)cc1C#N ZINC000368629742 279335262 /nfs/dbraw/zinc/33/52/62/279335262.db2.gz BKUYORANDIPEKS-QGZVFWFLSA-N 1 2 320.396 2.728 20 30 DFEDLO Cn1cc(C[N@H+]2CC(=O)Nc3cccc4c3[C@H]2CCC4)cc1C#N ZINC000368629742 279335264 /nfs/dbraw/zinc/33/52/64/279335264.db2.gz BKUYORANDIPEKS-QGZVFWFLSA-N 1 2 320.396 2.728 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000649689197 431235271 /nfs/dbraw/zinc/23/52/71/431235271.db2.gz HGZMFMOARCZNHM-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000649689197 431235278 /nfs/dbraw/zinc/23/52/78/431235278.db2.gz HGZMFMOARCZNHM-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]2COC[C@H]2O1 ZINC000649911739 431364643 /nfs/dbraw/zinc/36/46/43/431364643.db2.gz DYKXBYWWXJEKBU-HZPDHXFCSA-N 1 2 305.805 2.570 20 30 DFEDLO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]2COC[C@H]2O1 ZINC000649911739 431364649 /nfs/dbraw/zinc/36/46/49/431364649.db2.gz DYKXBYWWXJEKBU-HZPDHXFCSA-N 1 2 305.805 2.570 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000660315903 431373989 /nfs/dbraw/zinc/37/39/89/431373989.db2.gz BTPCXEUSAGXAPY-OAHLLOKOSA-N 1 2 316.449 2.760 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc[nH+]c1N(C)C ZINC000660338724 431384893 /nfs/dbraw/zinc/38/48/93/431384893.db2.gz DTMGQJWXBKRAMY-GASCZTMLSA-N 1 2 300.406 2.540 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)nn1 ZINC000653607308 431458056 /nfs/dbraw/zinc/45/80/56/431458056.db2.gz ZHHAPSSQIKIABQ-INIZCTEOSA-N 1 2 322.359 2.610 20 30 DFEDLO C=CCCn1cc(CNc2[nH+]c3cc(F)ccc3n2CC)nn1 ZINC000656771955 431512860 /nfs/dbraw/zinc/51/28/60/431512860.db2.gz JEEHBWOHOFKYKQ-UHFFFAOYSA-N 1 2 314.368 2.975 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)c(OCC)c2)nn1 ZINC000657361750 431704037 /nfs/dbraw/zinc/70/40/37/431704037.db2.gz RLLBUCPLCLUWJD-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661123258 431741657 /nfs/dbraw/zinc/74/16/57/431741657.db2.gz MMXSTAYRJVIREP-HNNXBMFYSA-N 1 2 302.422 2.836 20 30 DFEDLO C=CC[C@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000664256858 431715626 /nfs/dbraw/zinc/71/56/26/431715626.db2.gz SFFAWIMPWKFKCX-LBPRGKRZSA-N 1 2 314.437 2.956 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H](C)COC ZINC000661239210 431789685 /nfs/dbraw/zinc/78/96/85/431789685.db2.gz DAWAYHLYRINHCQ-CYBMUJFWSA-N 1 2 319.380 2.822 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H](C)COC ZINC000661239210 431789691 /nfs/dbraw/zinc/78/96/91/431789691.db2.gz DAWAYHLYRINHCQ-CYBMUJFWSA-N 1 2 319.380 2.822 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC=C)[C@H](C)COC)c1C ZINC000661242783 431793612 /nfs/dbraw/zinc/79/36/12/431793612.db2.gz FWYYMQZYXFXURS-OAHLLOKOSA-N 1 2 304.434 2.997 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC=C)[C@H](C)COC)c1C ZINC000661242783 431793617 /nfs/dbraw/zinc/79/36/17/431793617.db2.gz FWYYMQZYXFXURS-OAHLLOKOSA-N 1 2 304.434 2.997 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)[C@@H](C)COC ZINC000661248204 431795715 /nfs/dbraw/zinc/79/57/15/431795715.db2.gz UIFQXIBGXSJTNH-AWEZNQCLSA-N 1 2 320.458 2.648 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)[C@@H](C)COC ZINC000661248204 431795719 /nfs/dbraw/zinc/79/57/19/431795719.db2.gz UIFQXIBGXSJTNH-AWEZNQCLSA-N 1 2 320.458 2.648 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C)COC ZINC000661245741 431796028 /nfs/dbraw/zinc/79/60/28/431796028.db2.gz FGSSNLKOVVCFTQ-LBPRGKRZSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C)COC ZINC000661245741 431796032 /nfs/dbraw/zinc/79/60/32/431796032.db2.gz FGSSNLKOVVCFTQ-LBPRGKRZSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)[C@H](C)COC ZINC000661248656 431796087 /nfs/dbraw/zinc/79/60/87/431796087.db2.gz WSKYMYFORNBKPK-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)[C@H](C)COC ZINC000661248656 431796093 /nfs/dbraw/zinc/79/60/93/431796093.db2.gz WSKYMYFORNBKPK-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO Cc1cnc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000269601707 281603580 /nfs/dbraw/zinc/60/35/80/281603580.db2.gz ATJJSIMRSKTKPP-UHFFFAOYSA-N 1 2 315.417 2.764 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000264139651 294038242 /nfs/dbraw/zinc/03/82/42/294038242.db2.gz PWAZIRHXJRWLKH-MWLCHTKSSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000264139651 294038243 /nfs/dbraw/zinc/03/82/43/294038243.db2.gz PWAZIRHXJRWLKH-MWLCHTKSSA-N 1 2 307.419 2.532 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(C(F)(F)F)cc1C#N)C2 ZINC000370450788 294465957 /nfs/dbraw/zinc/46/59/57/294465957.db2.gz PVQRMIXUWGZKDQ-UHFFFAOYSA-N 1 2 306.291 2.873 20 30 DFEDLO COCC[N@H+](Cc1ccco1)Cc1cc(C#N)ccc1OC ZINC000156082160 295330654 /nfs/dbraw/zinc/33/06/54/295330654.db2.gz JHMJKISRQHLZAI-UHFFFAOYSA-N 1 2 300.358 2.808 20 30 DFEDLO COCC[N@@H+](Cc1ccco1)Cc1cc(C#N)ccc1OC ZINC000156082160 295330656 /nfs/dbraw/zinc/33/06/56/295330656.db2.gz JHMJKISRQHLZAI-UHFFFAOYSA-N 1 2 300.358 2.808 20 30 DFEDLO Cc1oncc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444774617 297250328 /nfs/dbraw/zinc/25/03/28/297250328.db2.gz XFYUWGOHPWGDIE-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO N#Cc1ccc(C2([NH2+]Cc3nc(C4CC4)no3)CCOCC2)cc1 ZINC000528784963 300847307 /nfs/dbraw/zinc/84/73/07/300847307.db2.gz WAAOUKQNOBZXLR-UHFFFAOYSA-N 1 2 324.384 2.614 20 30 DFEDLO CCc1nc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)cs1 ZINC000535825000 301263150 /nfs/dbraw/zinc/26/31/50/301263150.db2.gz XFKVMNRUNILYGC-UHFFFAOYSA-N 1 2 311.414 2.857 20 30 DFEDLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cccc(C#N)c1 ZINC000538394648 301320794 /nfs/dbraw/zinc/32/07/94/301320794.db2.gz JHHRDNMGAHUSFM-VIFPVBQESA-N 1 2 305.179 2.895 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000538996957 301336038 /nfs/dbraw/zinc/33/60/38/301336038.db2.gz AUGGJYSPWSYKMN-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000538996957 301336040 /nfs/dbraw/zinc/33/60/40/301336040.db2.gz AUGGJYSPWSYKMN-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000562259120 301955276 /nfs/dbraw/zinc/95/52/76/301955276.db2.gz BFTZOUDLNIGAQR-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cc1cccnc1[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000121031383 302247357 /nfs/dbraw/zinc/24/73/57/302247357.db2.gz VQLKWVYFXOVTOW-AEFFLSMTSA-N 1 2 322.412 2.775 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc1 ZINC000565900549 302248630 /nfs/dbraw/zinc/24/86/30/302248630.db2.gz MBGZLRKVEMYLIO-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)nc1 ZINC000565900549 302248631 /nfs/dbraw/zinc/24/86/31/302248631.db2.gz MBGZLRKVEMYLIO-IBGZPJMESA-N 1 2 319.364 2.563 20 30 DFEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)n1 ZINC000184220137 316162749 /nfs/dbraw/zinc/16/27/49/316162749.db2.gz BFARTSYFJQOVJW-SECBINFHSA-N 1 2 306.416 2.674 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nnnn1-c1ccccc1 ZINC000184836299 316175634 /nfs/dbraw/zinc/17/56/34/316175634.db2.gz NHFLUZOIVODGAR-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000578022760 318232872 /nfs/dbraw/zinc/23/28/72/318232872.db2.gz BJFJERRDLQDXOE-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578022760 318232874 /nfs/dbraw/zinc/23/28/74/318232874.db2.gz BJFJERRDLQDXOE-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ccnc(C#N)n4)C3)[nH+]c2c1 ZINC000578926094 318295268 /nfs/dbraw/zinc/29/52/68/318295268.db2.gz VPNWNHCQAJIANK-ZDUSSCGKSA-N 1 2 318.384 2.917 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000579200378 318313757 /nfs/dbraw/zinc/31/37/57/318313757.db2.gz RKYJNOCRIVNNTO-AWEZNQCLSA-N 1 2 309.373 2.762 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)c(OC(F)F)c1 ZINC000580099082 318376455 /nfs/dbraw/zinc/37/64/55/318376455.db2.gz PNDICEIOGLILMY-NSHDSACASA-N 1 2 318.270 2.973 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c(OC(F)F)c1 ZINC000580099082 318376457 /nfs/dbraw/zinc/37/64/57/318376457.db2.gz PNDICEIOGLILMY-NSHDSACASA-N 1 2 318.270 2.973 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc3c(c1C#N)CCC3)C2 ZINC000583748923 323906562 /nfs/dbraw/zinc/90/65/62/323906562.db2.gz LLYPGOOJMRUAFB-UHFFFAOYSA-N 1 2 321.428 2.862 20 30 DFEDLO C=CC[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000116857793 331465666 /nfs/dbraw/zinc/46/56/66/331465666.db2.gz LMSRHBHUJPEDEP-ZDUSSCGKSA-N 1 2 303.431 2.957 20 30 DFEDLO CC1CC[NH+](CC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000025779033 331602718 /nfs/dbraw/zinc/60/27/18/331602718.db2.gz OQQNUSAYRNMMPL-UHFFFAOYSA-N 1 2 308.329 2.877 20 30 DFEDLO C[C@@H](c1nnc(SCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000066316655 331885498 /nfs/dbraw/zinc/88/54/98/331885498.db2.gz JIHDAQPUIOPDOV-JTQLQIEISA-N 1 2 305.382 2.645 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427000419 332165093 /nfs/dbraw/zinc/16/50/93/332165093.db2.gz CLTDOIASKNVBLH-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427000419 332165095 /nfs/dbraw/zinc/16/50/95/332165095.db2.gz CLTDOIASKNVBLH-KRWDZBQOSA-N 1 2 318.848 2.928 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCSCC2)cc1C ZINC000103467942 332239201 /nfs/dbraw/zinc/23/92/01/332239201.db2.gz VYZUBHAMTAKRRE-UHFFFAOYSA-N 1 2 317.458 2.599 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151805332 332243447 /nfs/dbraw/zinc/24/34/47/332243447.db2.gz CAPGCIJVOSHGHN-OAHLLOKOSA-N 1 2 308.385 2.701 20 30 DFEDLO Cc1ccccc1CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812250 332284037 /nfs/dbraw/zinc/28/40/37/332284037.db2.gz WPGHTKDTBCFKSJ-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO Cc1ccccc1CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812250 332284038 /nfs/dbraw/zinc/28/40/38/332284038.db2.gz WPGHTKDTBCFKSJ-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO C=CCC(F)(F)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000292996408 335099269 /nfs/dbraw/zinc/09/92/69/335099269.db2.gz JAXWLYBNZDEHGU-UHFFFAOYSA-N 1 2 311.254 2.615 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Cl)cc1Cl ZINC000112335519 332313025 /nfs/dbraw/zinc/31/30/25/332313025.db2.gz QMTMELQTJRUCFQ-UHFFFAOYSA-N 1 2 318.204 2.697 20 30 DFEDLO C[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000566328991 332346850 /nfs/dbraw/zinc/34/68/50/332346850.db2.gz UYBDZKGTNQGADD-ZDUSSCGKSA-N 1 2 300.337 2.920 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000293450234 335106328 /nfs/dbraw/zinc/10/63/28/335106328.db2.gz RWKLYBKQHGLWQL-LPHOPBHVSA-N 1 2 321.424 2.907 20 30 DFEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000156374227 332467223 /nfs/dbraw/zinc/46/72/23/332467223.db2.gz OSTUTWZWQVTRIL-UHFFFAOYSA-N 1 2 307.825 2.743 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]1COC ZINC000293704389 335112563 /nfs/dbraw/zinc/11/25/63/335112563.db2.gz XJTZFAJDCYAIIF-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]1COC ZINC000293704389 335112564 /nfs/dbraw/zinc/11/25/64/335112564.db2.gz XJTZFAJDCYAIIF-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO C[C@@H](CCCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580202816 333003668 /nfs/dbraw/zinc/00/36/68/333003668.db2.gz RZBFKUGBRZDUGF-MAUKXSAKSA-N 1 2 301.434 2.605 20 30 DFEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000293922414 335115917 /nfs/dbraw/zinc/11/59/17/335115917.db2.gz YBHHYWLTEWXHAJ-OAHLLOKOSA-N 1 2 313.344 2.864 20 30 DFEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000293922414 335115918 /nfs/dbraw/zinc/11/59/18/335115918.db2.gz YBHHYWLTEWXHAJ-OAHLLOKOSA-N 1 2 313.344 2.864 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000168917176 333028099 /nfs/dbraw/zinc/02/80/99/333028099.db2.gz UNZXGBVRRMBDJW-UHFFFAOYSA-N 1 2 311.179 2.817 20 30 DFEDLO N#CCCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171592307 333051210 /nfs/dbraw/zinc/05/12/10/333051210.db2.gz PVDVYEHMNDNSFA-MRXNPFEDSA-N 1 2 317.458 2.587 20 30 DFEDLO C[NH+](C)[C@H](CNC(=O)NCCCCC#N)c1c(F)cccc1F ZINC000172149739 333059382 /nfs/dbraw/zinc/05/93/82/333059382.db2.gz BVRCAVIQKIBSRP-CQSZACIVSA-N 1 2 324.375 2.561 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000173548394 333075252 /nfs/dbraw/zinc/07/52/52/333075252.db2.gz MATYAGUCGISHNC-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCc2sccc2C1 ZINC000173548394 333075254 /nfs/dbraw/zinc/07/52/54/333075254.db2.gz MATYAGUCGISHNC-UHFFFAOYSA-N 1 2 319.474 2.895 20 30 DFEDLO C=C(CC)C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000362587037 333075726 /nfs/dbraw/zinc/07/57/26/333075726.db2.gz BZMZKBAQZDQMDA-UHFFFAOYSA-N 1 2 306.357 2.645 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000174226570 333083492 /nfs/dbraw/zinc/08/34/92/333083492.db2.gz RCPZWYUZUKHMGE-LLVKDONJSA-N 1 2 307.350 2.785 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCC(C)(C)C#N ZINC000174808277 333090882 /nfs/dbraw/zinc/09/08/82/333090882.db2.gz LMALPSFCNLRVGW-INIZCTEOSA-N 1 2 300.402 2.916 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000174808277 333090884 /nfs/dbraw/zinc/09/08/84/333090884.db2.gz LMALPSFCNLRVGW-INIZCTEOSA-N 1 2 300.402 2.916 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000526056635 333096057 /nfs/dbraw/zinc/09/60/57/333096057.db2.gz AOVQFFJYOZLVAC-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000526056635 333096058 /nfs/dbraw/zinc/09/60/58/333096058.db2.gz AOVQFFJYOZLVAC-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCC1 ZINC000178241908 333136522 /nfs/dbraw/zinc/13/65/22/333136522.db2.gz BBJVQMCFAYNTDD-UHFFFAOYSA-N 1 2 315.392 2.554 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000294647225 335125145 /nfs/dbraw/zinc/12/51/45/335125145.db2.gz ZZLVCMCAWFXVMD-KRWDZBQOSA-N 1 2 316.445 2.697 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063745 333165523 /nfs/dbraw/zinc/16/55/23/333165523.db2.gz FXVQFTHDBMZWAR-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063745 333165524 /nfs/dbraw/zinc/16/55/24/333165524.db2.gz FXVQFTHDBMZWAR-UHFFFAOYSA-N 1 2 311.788 2.673 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000491702912 333168015 /nfs/dbraw/zinc/16/80/15/333168015.db2.gz YGUUCXQLOGTBGB-SNVBAGLBSA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000491702912 333168016 /nfs/dbraw/zinc/16/80/16/333168016.db2.gz YGUUCXQLOGTBGB-SNVBAGLBSA-N 1 2 312.207 2.920 20 30 DFEDLO C=CCC(F)(F)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000294782227 335127586 /nfs/dbraw/zinc/12/75/86/335127586.db2.gz AAFNIONQCXMLMJ-UHFFFAOYSA-N 1 2 319.355 2.953 20 30 DFEDLO C[NH+](C)CC1(C/N=C/c2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000183621780 333186299 /nfs/dbraw/zinc/18/62/99/333186299.db2.gz AFHVNFLELMKBKF-LICLKQGHSA-N 1 2 305.378 2.841 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C/c2cc(OC)ccc2O)C1 ZINC000497244588 333226792 /nfs/dbraw/zinc/22/67/92/333226792.db2.gz PUIHITKVYGUKRS-SMNSCNSHSA-N 1 2 320.389 2.687 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187163138 333228305 /nfs/dbraw/zinc/22/83/05/333228305.db2.gz GAEFGVDRSIRVQA-RNCFNFMXSA-N 1 2 315.186 2.856 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187163138 333228307 /nfs/dbraw/zinc/22/83/07/333228307.db2.gz GAEFGVDRSIRVQA-RNCFNFMXSA-N 1 2 315.186 2.856 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189802106 333263229 /nfs/dbraw/zinc/26/32/29/333263229.db2.gz APYXSZFJSWSUNU-SWLSCSKDSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189802106 333263231 /nfs/dbraw/zinc/26/32/31/333263231.db2.gz APYXSZFJSWSUNU-SWLSCSKDSA-N 1 2 320.462 2.597 20 30 DFEDLO C=CC1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000110968154 333328029 /nfs/dbraw/zinc/32/80/29/333328029.db2.gz WTBVDUKXXDELPZ-UHFFFAOYSA-N 1 2 314.429 2.557 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000295266092 335134202 /nfs/dbraw/zinc/13/42/02/335134202.db2.gz LGDVRFLZOSUPQI-KBPBESRZSA-N 1 2 322.474 2.838 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000295266092 335134204 /nfs/dbraw/zinc/13/42/04/335134204.db2.gz LGDVRFLZOSUPQI-KBPBESRZSA-N 1 2 322.474 2.838 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000297030672 335148710 /nfs/dbraw/zinc/14/87/10/335148710.db2.gz WQGOHCBKXOPOJK-INIZCTEOSA-N 1 2 322.412 2.694 20 30 DFEDLO C=CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000186168464 335156798 /nfs/dbraw/zinc/15/67/98/335156798.db2.gz LISRQKNVRWJDIQ-QGZVFWFLSA-N 1 2 316.445 2.573 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nc(-c2ccccc2)no1 ZINC000266175569 333971738 /nfs/dbraw/zinc/97/17/38/333971738.db2.gz DUILMBOOMWTQSG-LBPRGKRZSA-N 1 2 318.377 2.587 20 30 DFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000271770873 334026692 /nfs/dbraw/zinc/02/66/92/334026692.db2.gz NUHALWPPPYMJAF-LBPRGKRZSA-N 1 2 321.371 2.958 20 30 DFEDLO CCc1nc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)sc1C ZINC000272500964 334035581 /nfs/dbraw/zinc/03/55/81/334035581.db2.gz DOHSGCHQQWYTGS-UHFFFAOYSA-N 1 2 306.435 2.578 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272976168 334041658 /nfs/dbraw/zinc/04/16/58/334041658.db2.gz ADKFAFLWNHEANE-LBPRGKRZSA-N 1 2 316.323 2.681 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272976168 334041660 /nfs/dbraw/zinc/04/16/60/334041660.db2.gz ADKFAFLWNHEANE-LBPRGKRZSA-N 1 2 316.323 2.681 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272993876 334041999 /nfs/dbraw/zinc/04/19/99/334041999.db2.gz GBYUHQNUUMCLOV-NEPJUHHUSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272993876 334042001 /nfs/dbraw/zinc/04/20/01/334042001.db2.gz GBYUHQNUUMCLOV-NEPJUHHUSA-N 1 2 316.323 2.537 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCCCNc1cccc[nH+]1 ZINC000273381644 334046047 /nfs/dbraw/zinc/04/60/47/334046047.db2.gz GAMNVEGXMNSDMB-OAHLLOKOSA-N 1 2 320.437 2.971 20 30 DFEDLO Cc1cc(Br)cn2c(CN(CC#N)C3CC3)c[nH+]c12 ZINC000273561607 334048480 /nfs/dbraw/zinc/04/84/80/334048480.db2.gz WLLBLCJGEGFNHT-UHFFFAOYSA-N 1 2 319.206 2.893 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274589031 334063672 /nfs/dbraw/zinc/06/36/72/334063672.db2.gz JSOSHYKRTBVNOA-HUUCEWRRSA-N 1 2 308.426 2.607 20 30 DFEDLO CCNC(=O)C1(C/[NH+]=C/c2cccc(OCC)c2O)CCC1 ZINC000276898818 334085506 /nfs/dbraw/zinc/08/55/06/334085506.db2.gz OBFYHVIKOAZXMZ-WOJGMQOQSA-N 1 2 304.390 2.516 20 30 DFEDLO Cc1cc(C(N)=[NH+]OCCCC2(C#N)CCOCC2)ccc1F ZINC000281323551 334125034 /nfs/dbraw/zinc/12/50/34/334125034.db2.gz LJYCEFPGRRJMBB-UHFFFAOYSA-N 1 2 319.380 2.872 20 30 DFEDLO CC(C)SCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000282151255 334131968 /nfs/dbraw/zinc/13/19/68/334131968.db2.gz BXFBGVPDVVVAEL-UHFFFAOYSA-N 1 2 322.478 2.850 20 30 DFEDLO NC(=[NH+]OCc1csc(-c2cccs2)n1)[C@H]1CCCO1 ZINC000284418490 334143369 /nfs/dbraw/zinc/14/33/69/334143369.db2.gz OAXFLFDWDWOKLK-SNVBAGLBSA-N 1 2 309.416 2.839 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000285431927 334147940 /nfs/dbraw/zinc/14/79/40/334147940.db2.gz HQGVCULZBLXWAC-CZUORRHYSA-N 1 2 309.360 2.624 20 30 DFEDLO COc1ccccc1O[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000286497818 334153441 /nfs/dbraw/zinc/15/34/41/334153441.db2.gz PMNUJPPERLJVKW-JKSUJKDBSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000286497818 334153443 /nfs/dbraw/zinc/15/34/43/334153443.db2.gz PMNUJPPERLJVKW-JKSUJKDBSA-N 1 2 313.401 2.982 20 30 DFEDLO CC(C)n1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000287102234 334156249 /nfs/dbraw/zinc/15/62/49/334156249.db2.gz ZFCXTIWWXRVWGA-UHFFFAOYSA-N 1 2 300.366 2.549 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000292855287 334193357 /nfs/dbraw/zinc/19/33/57/334193357.db2.gz USHVHURWLZXRND-AWEZNQCLSA-N 1 2 302.374 2.529 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000292855287 334193359 /nfs/dbraw/zinc/19/33/59/334193359.db2.gz USHVHURWLZXRND-AWEZNQCLSA-N 1 2 302.374 2.529 20 30 DFEDLO N#CC1CCC(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000294425672 334209708 /nfs/dbraw/zinc/20/97/08/334209708.db2.gz UNRWSNXSNLWAAC-SEEARECTSA-N 1 2 313.380 2.953 20 30 DFEDLO CC(C)(C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294574215 334211051 /nfs/dbraw/zinc/21/10/51/334211051.db2.gz YFLQLGLSQGBVGR-UHFFFAOYSA-N 1 2 302.765 2.692 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294806102 334213352 /nfs/dbraw/zinc/21/33/52/334213352.db2.gz LRGKNGNSHFJKJO-AWEZNQCLSA-N 1 2 311.385 2.963 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294806102 334213354 /nfs/dbraw/zinc/21/33/54/334213354.db2.gz LRGKNGNSHFJKJO-AWEZNQCLSA-N 1 2 311.385 2.963 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000295084465 334218146 /nfs/dbraw/zinc/21/81/46/334218146.db2.gz FHTXGMSACFBMKV-UHFFFAOYSA-N 1 2 321.421 2.922 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295280548 334221742 /nfs/dbraw/zinc/22/17/42/334221742.db2.gz IIJAHNQDJSEUDP-UHFFFAOYSA-N 1 2 301.390 2.779 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295280548 334221743 /nfs/dbraw/zinc/22/17/43/334221743.db2.gz IIJAHNQDJSEUDP-UHFFFAOYSA-N 1 2 301.390 2.779 20 30 DFEDLO Cc1cc(Br)cn2c(CN3CC(C)(C#N)C3)c[nH+]c12 ZINC000297484337 334241650 /nfs/dbraw/zinc/24/16/50/334241650.db2.gz SMXFMFPYEQBXPC-UHFFFAOYSA-N 1 2 319.206 2.751 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccccc2OCC#N)CC1(C)C ZINC000297694040 334243150 /nfs/dbraw/zinc/24/31/50/334243150.db2.gz JDRNBIHFQAXPDG-OAHLLOKOSA-N 1 2 324.384 2.546 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000298215461 334247240 /nfs/dbraw/zinc/24/72/40/334247240.db2.gz VCXKRKOUWBCSMW-IHRRRGAJSA-N 1 2 301.394 2.729 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299163821 334253824 /nfs/dbraw/zinc/25/38/24/334253824.db2.gz MWXZPOHLXTVLJY-ZIAGYGMSSA-N 1 2 305.447 2.743 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299163821 334253826 /nfs/dbraw/zinc/25/38/26/334253826.db2.gz MWXZPOHLXTVLJY-ZIAGYGMSSA-N 1 2 305.447 2.743 20 30 DFEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000299388934 334255228 /nfs/dbraw/zinc/25/52/28/334255228.db2.gz QRSJMYMUEJRFHQ-SFHVURJKSA-N 1 2 317.408 2.845 20 30 DFEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000299388934 334255229 /nfs/dbraw/zinc/25/52/29/334255229.db2.gz QRSJMYMUEJRFHQ-SFHVURJKSA-N 1 2 317.408 2.845 20 30 DFEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000302751732 334294879 /nfs/dbraw/zinc/29/48/79/334294879.db2.gz MFZWLTXNKUMXRU-UHFFFAOYSA-N 1 2 322.474 2.522 20 30 DFEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340816264 334387533 /nfs/dbraw/zinc/38/75/33/334387533.db2.gz HLUQOXAUPBAXAP-LBPRGKRZSA-N 1 2 311.341 2.503 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000340941713 334395380 /nfs/dbraw/zinc/39/53/80/334395380.db2.gz USHPPTFAKBHZJG-UHFFFAOYSA-N 1 2 305.451 2.772 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000340941713 334395381 /nfs/dbraw/zinc/39/53/81/334395381.db2.gz USHPPTFAKBHZJG-UHFFFAOYSA-N 1 2 305.451 2.772 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000341231969 334420645 /nfs/dbraw/zinc/42/06/45/334420645.db2.gz XTPOUXNPZAOYJG-NEPJUHHUSA-N 1 2 320.462 2.833 20 30 DFEDLO CCC(CC)n1ccc(C[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000341989511 334503454 /nfs/dbraw/zinc/50/34/54/334503454.db2.gz LMLGYTPFOPRWEH-UHFFFAOYSA-N 1 2 304.438 2.996 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000342845862 334582238 /nfs/dbraw/zinc/58/22/38/334582238.db2.gz YNFMKNRHMXRICO-UHFFFAOYSA-N 1 2 318.808 2.740 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc2ccsc21 ZINC000328645248 334745465 /nfs/dbraw/zinc/74/54/65/334745465.db2.gz ATABKMJRYZJHKC-LBPRGKRZSA-N 1 2 319.430 2.948 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@]1(C)CCCS1)CCC2 ZINC000328652840 334745941 /nfs/dbraw/zinc/74/59/41/334745941.db2.gz KRVMMSQHXODGKA-XJKSGUPXSA-N 1 2 322.478 2.858 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC1CCSCC1)CCC2 ZINC000328651169 334745967 /nfs/dbraw/zinc/74/59/67/334745967.db2.gz JRGAWOMYYKYTSJ-AWEZNQCLSA-N 1 2 322.478 2.716 20 30 DFEDLO C[C@@H]1[C@H](C)SCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328597517 334747585 /nfs/dbraw/zinc/74/75/85/334747585.db2.gz AHFKIFKKGHRANF-AGIUHOORSA-N 1 2 308.451 2.500 20 30 DFEDLO CS[C@@H]1CCCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328600981 334747843 /nfs/dbraw/zinc/74/78/43/334747843.db2.gz DSFNRHYGUUDGHX-ZIAGYGMSSA-N 1 2 322.478 2.892 20 30 DFEDLO CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331164231 334841486 /nfs/dbraw/zinc/84/14/86/334841486.db2.gz AOTHNBSZEDYWJI-TTZDDIAXSA-N 1 2 322.453 2.969 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)cc1Cl ZINC000343622213 335182410 /nfs/dbraw/zinc/18/24/10/335182410.db2.gz NPWLGXPVWKYNMG-ZFWWWQNUSA-N 1 2 320.820 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@@H]32)cc1Cl ZINC000343622213 335182411 /nfs/dbraw/zinc/18/24/11/335182411.db2.gz NPWLGXPVWKYNMG-ZFWWWQNUSA-N 1 2 320.820 2.615 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1Cl ZINC000345815883 335353087 /nfs/dbraw/zinc/35/30/87/335353087.db2.gz UTWONIDAUHQJHA-LBPRGKRZSA-N 1 2 305.809 2.723 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1Cl ZINC000345815883 335353089 /nfs/dbraw/zinc/35/30/89/335353089.db2.gz UTWONIDAUHQJHA-LBPRGKRZSA-N 1 2 305.809 2.723 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000347683505 335516227 /nfs/dbraw/zinc/51/62/27/335516227.db2.gz DVZIJWQPXMKSBK-FUHWJXTLSA-N 1 2 324.428 2.832 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1OC(F)F ZINC000347695896 335521889 /nfs/dbraw/zinc/52/18/89/335521889.db2.gz AXOXCMHPJIUHNK-QJPTWQEYSA-N 1 2 323.343 2.897 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000347696628 335522301 /nfs/dbraw/zinc/52/23/01/335522301.db2.gz XBXKAXICNXMWTM-ZWNOBZJWSA-N 1 2 307.781 2.569 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(CC#N)c1ccccc1 ZINC000367040512 335593618 /nfs/dbraw/zinc/59/36/18/335593618.db2.gz KGPRESMPWXPMCL-NVXWUHKLSA-N 1 2 320.396 2.711 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348714018 335604354 /nfs/dbraw/zinc/60/43/54/335604354.db2.gz MGPHKHQKHXBSAL-UHFFFAOYSA-N 1 2 308.353 2.540 20 30 DFEDLO N#CCCCCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445553878 338499509 /nfs/dbraw/zinc/49/95/09/338499509.db2.gz ZCGCEBFWMJSIPP-UHFFFAOYSA-N 1 2 317.414 2.540 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329223402 335952916 /nfs/dbraw/zinc/95/29/16/335952916.db2.gz XZOZIUDYVCLRPC-BYCMXARLSA-N 1 2 316.405 2.837 20 30 DFEDLO C[C@H](CNC(=O)N[C@@H]1CCCCC12CCCC2)[NH+]1CCOCC1 ZINC000329596103 335999633 /nfs/dbraw/zinc/99/96/33/335999633.db2.gz CALPNBIWMMIBLY-HZPDHXFCSA-N 1 2 323.481 2.714 20 30 DFEDLO Cc1cc(Cl)cnc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000329645738 336026225 /nfs/dbraw/zinc/02/62/25/336026225.db2.gz ZPIGXLOKCPTTHL-NSHDSACASA-N 1 2 319.796 2.812 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H](C2CC2)C1 ZINC000329651108 336028508 /nfs/dbraw/zinc/02/85/08/336028508.db2.gz KSRJUFDNHCXTAW-GJZGRUSLSA-N 1 2 302.422 2.797 20 30 DFEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCCCS1 ZINC000329730701 336074919 /nfs/dbraw/zinc/07/49/19/336074919.db2.gz GIBDTHMDTRDZGE-ZDUSSCGKSA-N 1 2 304.419 2.624 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329764718 336079231 /nfs/dbraw/zinc/07/92/31/336079231.db2.gz WAXBEUHZJSPKDW-RBSFLKMASA-N 1 2 320.437 2.708 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NC[C@@H]3CCCS3)[nH+]c2c1 ZINC000329769895 336079761 /nfs/dbraw/zinc/07/97/61/336079761.db2.gz IGACDKGDEKMJTQ-ZDUSSCGKSA-N 1 2 304.419 2.542 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000329770158 336080019 /nfs/dbraw/zinc/08/00/19/336080019.db2.gz FUTOVCHTHRVNCR-BHYGNILZSA-N 1 2 317.433 2.669 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000329770158 336080021 /nfs/dbraw/zinc/08/00/21/336080021.db2.gz FUTOVCHTHRVNCR-BHYGNILZSA-N 1 2 317.433 2.669 20 30 DFEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCO1 ZINC000329809076 336084524 /nfs/dbraw/zinc/08/45/24/336084524.db2.gz PVKGMLZWJSMXFS-HRCADAONSA-N 1 2 323.481 2.570 20 30 DFEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCO1 ZINC000329809076 336084526 /nfs/dbraw/zinc/08/45/26/336084526.db2.gz PVKGMLZWJSMXFS-HRCADAONSA-N 1 2 323.481 2.570 20 30 DFEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329824546 336086633 /nfs/dbraw/zinc/08/66/33/336086633.db2.gz BMILOYIWEUKTRG-SJLPKXTDSA-N 1 2 324.428 2.888 20 30 DFEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000329824546 336086635 /nfs/dbraw/zinc/08/66/35/336086635.db2.gz BMILOYIWEUKTRG-SJLPKXTDSA-N 1 2 324.428 2.888 20 30 DFEDLO O=C(C[C@H]1CCOC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329836129 336087855 /nfs/dbraw/zinc/08/78/55/336087855.db2.gz LRNKYELHJVMEBW-OAHLLOKOSA-N 1 2 304.390 2.533 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)CCC2 ZINC000329885448 336092444 /nfs/dbraw/zinc/09/24/44/336092444.db2.gz UROIAHVZLKTSDP-QWHCGFSZSA-N 1 2 304.394 2.925 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329894755 336093099 /nfs/dbraw/zinc/09/30/99/336093099.db2.gz BPJWFJILNUGXTQ-SOUVJXGZSA-N 1 2 302.422 2.624 20 30 DFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC23CCCC3)no1 ZINC000329939296 336097540 /nfs/dbraw/zinc/09/75/40/336097540.db2.gz AYGAHZSSXKCKPN-NSHDSACASA-N 1 2 306.410 2.903 20 30 DFEDLO CO[C@]1(C)CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329954024 336099489 /nfs/dbraw/zinc/09/94/89/336099489.db2.gz JSQVAWLALNSUML-WMLDXEAASA-N 1 2 320.437 2.566 20 30 DFEDLO CCN1CCN(C(=O)NCC2(C)CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329976955 336101926 /nfs/dbraw/zinc/10/19/26/336101926.db2.gz ZDNBJMWTCXTEEP-CQSZACIVSA-N 1 2 319.453 2.583 20 30 DFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329987196 336102892 /nfs/dbraw/zinc/10/28/92/336102892.db2.gz FXDGJJMLBMSXNL-TUVASFSCSA-N 1 2 324.465 2.836 20 30 DFEDLO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000329993179 336103863 /nfs/dbraw/zinc/10/38/63/336103863.db2.gz LDLRLYICSZMYIJ-HNNXBMFYSA-N 1 2 316.405 2.543 20 30 DFEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC12CCCC2 ZINC000329996673 336104361 /nfs/dbraw/zinc/10/43/61/336104361.db2.gz PGBLTNKAVYJYRZ-HNNXBMFYSA-N 1 2 315.417 2.955 20 30 DFEDLO CCC1CCC(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330199584 336123559 /nfs/dbraw/zinc/12/35/59/336123559.db2.gz VPRRMWHIRKRFGD-YMAMQOFZSA-N 1 2 304.438 2.918 20 30 DFEDLO CCC1CCC(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330199584 336123560 /nfs/dbraw/zinc/12/35/60/336123560.db2.gz VPRRMWHIRKRFGD-YMAMQOFZSA-N 1 2 304.438 2.918 20 30 DFEDLO Cc1ncsc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000330201679 336123819 /nfs/dbraw/zinc/12/38/19/336123819.db2.gz YDSUDAAOMAJDJP-CYBMUJFWSA-N 1 2 319.434 2.535 20 30 DFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330211235 336124848 /nfs/dbraw/zinc/12/48/48/336124848.db2.gz CXUMPGJWHWNHSB-AWEZNQCLSA-N 1 2 318.421 2.605 20 30 DFEDLO Cc1nc([C@H](C)[NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)cs1 ZINC000330255127 336130529 /nfs/dbraw/zinc/13/05/29/336130529.db2.gz PMCNDCHPPNXYLN-WCQYABFASA-N 1 2 319.434 2.788 20 30 DFEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330267503 336131598 /nfs/dbraw/zinc/13/15/98/336131598.db2.gz IDFUFGRRQGBTEE-CABCVRRESA-N 1 2 305.422 2.924 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCO1 ZINC000330281857 336133304 /nfs/dbraw/zinc/13/33/04/336133304.db2.gz VAAAOGQOZUTQRI-CABCVRRESA-N 1 2 320.437 2.913 20 30 DFEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000331462237 336136533 /nfs/dbraw/zinc/13/65/33/336136533.db2.gz FWSYJHVXBAAKAA-AWEZNQCLSA-N 1 2 302.422 2.836 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000331466136 336136864 /nfs/dbraw/zinc/13/68/64/336136864.db2.gz LKHUTJWPCNUQGP-HIFRSBDPSA-N 1 2 309.373 2.901 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)CCO1 ZINC000330330414 336166339 /nfs/dbraw/zinc/16/63/39/336166339.db2.gz NHARIVTVXHXUHL-IPYPFGDCSA-N 1 2 307.394 2.556 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000333575002 336206265 /nfs/dbraw/zinc/20/62/65/336206265.db2.gz JGBNTBGRCIWJHT-IACUBPJLSA-N 1 2 303.793 2.727 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3C#N)C2=O)c1 ZINC000333679291 336208045 /nfs/dbraw/zinc/20/80/45/336208045.db2.gz ZNLACCJAEFYUNK-IMJJTQAJSA-N 1 2 315.392 2.911 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000352271103 336209231 /nfs/dbraw/zinc/20/92/31/336209231.db2.gz NMCBCZXLXFUCFK-OAHLLOKOSA-N 1 2 306.381 2.829 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459142 336220524 /nfs/dbraw/zinc/22/05/24/336220524.db2.gz UPCZFPJNOBLLSB-CYBMUJFWSA-N 1 2 319.380 2.740 20 30 DFEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352462544 336220621 /nfs/dbraw/zinc/22/06/21/336220621.db2.gz DGUHKBOBZPXFEI-AWEZNQCLSA-N 1 2 307.413 2.709 20 30 DFEDLO CCN(C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)C1CCCCC1 ZINC000352468783 336220884 /nfs/dbraw/zinc/22/08/84/336220884.db2.gz UQQHFKFIZBWYOP-AWEZNQCLSA-N 1 2 309.429 2.884 20 30 DFEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352481994 336221330 /nfs/dbraw/zinc/22/13/30/336221330.db2.gz GFBRHTCLAYSOMP-CABCVRRESA-N 1 2 317.408 2.888 20 30 DFEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352481995 336221373 /nfs/dbraw/zinc/22/13/73/336221373.db2.gz GFBRHTCLAYSOMP-GJZGRUSLSA-N 1 2 317.408 2.888 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(CO)o1 ZINC000352808784 336243833 /nfs/dbraw/zinc/24/38/33/336243833.db2.gz ZHWDWMOQICDNHZ-UHFFFAOYSA-N 1 2 322.449 2.702 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(CO)o1 ZINC000352808784 336243834 /nfs/dbraw/zinc/24/38/34/336243834.db2.gz ZHWDWMOQICDNHZ-UHFFFAOYSA-N 1 2 322.449 2.702 20 30 DFEDLO C=CCO[C@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000302200724 336353720 /nfs/dbraw/zinc/35/37/20/336353720.db2.gz ZFASAQWDMYEABD-INIZCTEOSA-N 1 2 310.401 2.882 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000353292114 336387428 /nfs/dbraw/zinc/38/74/28/336387428.db2.gz YZOPFKFWYIFQFM-OLZOCXBDSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000353292114 336387429 /nfs/dbraw/zinc/38/74/29/336387429.db2.gz YZOPFKFWYIFQFM-OLZOCXBDSA-N 1 2 307.825 2.999 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000353691009 336435113 /nfs/dbraw/zinc/43/51/13/336435113.db2.gz FONGNKKLPKSQNH-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC(C)(C)C#N ZINC000358613135 336636821 /nfs/dbraw/zinc/63/68/21/336636821.db2.gz BIAQOYNIZJGHGA-CYBMUJFWSA-N 1 2 303.410 2.689 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000360136183 336702558 /nfs/dbraw/zinc/70/25/58/336702558.db2.gz NCLSFXZGDXIJRA-CQSZACIVSA-N 1 2 303.381 2.725 20 30 DFEDLO C#Cc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000361612686 336765452 /nfs/dbraw/zinc/76/54/52/336765452.db2.gz FHRXHTVLNLZUQT-UHFFFAOYSA-N 1 2 308.385 2.565 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371472897 336905630 /nfs/dbraw/zinc/90/56/30/336905630.db2.gz IPZBWMPTLVBUJR-CQSZACIVSA-N 1 2 313.405 2.811 20 30 DFEDLO C=CCN1CC(=O)N(c2cccc(-c3[nH+]ccn3CCC)c2)C1=O ZINC000373092031 336948156 /nfs/dbraw/zinc/94/81/56/336948156.db2.gz GFFHUZWSIRQAFB-UHFFFAOYSA-N 1 2 324.384 2.915 20 30 DFEDLO C=CCCS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000121642910 336969821 /nfs/dbraw/zinc/96/98/21/336969821.db2.gz IZNZKHPNPBWMKX-UHFFFAOYSA-N 1 2 302.399 2.994 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1)C(C)C ZINC000374166401 336982924 /nfs/dbraw/zinc/98/29/24/336982924.db2.gz WNPXFZZLJLCOOI-AEFFLSMTSA-N 1 2 321.424 2.887 20 30 DFEDLO 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308.385 2.531 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376615218 337038165 /nfs/dbraw/zinc/03/81/65/337038165.db2.gz NSCWQXHIZKFFRK-GDBMZVCRSA-N 1 2 322.412 2.731 20 30 DFEDLO C=C(CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000376903269 337043513 /nfs/dbraw/zinc/04/35/13/337043513.db2.gz MTTGMIFRGGSAJJ-INIZCTEOSA-N 1 2 310.401 2.773 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000377006249 337045193 /nfs/dbraw/zinc/04/51/93/337045193.db2.gz PXDIMPHXRUEACI-HUUCEWRRSA-N 1 2 317.437 2.806 20 30 DFEDLO C[N@@H+]1CCN(C(=O)C(C)(C)C#N)C[C@H]1c1ccccc1Cl ZINC000377099748 337046722 /nfs/dbraw/zinc/04/67/22/337046722.db2.gz NMPAQGRXJQVBTP-AWEZNQCLSA-N 1 2 305.809 2.705 20 30 DFEDLO C[N@H+]1CCN(C(=O)C(C)(C)C#N)C[C@H]1c1ccccc1Cl ZINC000377099748 337046723 /nfs/dbraw/zinc/04/67/23/337046723.db2.gz NMPAQGRXJQVBTP-AWEZNQCLSA-N 1 2 305.809 2.705 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000377544977 337054680 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C=CC[N@@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000378555028 337075657 /nfs/dbraw/zinc/07/56/57/337075657.db2.gz WYSKLSLHBNDLNR-LBPRGKRZSA-N 1 2 303.328 2.622 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618973 337086899 /nfs/dbraw/zinc/08/68/99/337086899.db2.gz LJYRSLXOMFWMHT-UHFFFAOYSA-N 1 2 309.413 2.727 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618973 337086900 /nfs/dbraw/zinc/08/69/00/337086900.db2.gz LJYRSLXOMFWMHT-UHFFFAOYSA-N 1 2 309.413 2.727 20 30 DFEDLO O=C1c2ccc(O)cc2O/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000171540059 337087976 /nfs/dbraw/zinc/08/79/76/337087976.db2.gz KBJWTFKOYPDHLE-IZZDOVSWSA-N 1 2 310.231 2.767 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000175376484 337145554 /nfs/dbraw/zinc/14/55/54/337145554.db2.gz YZUBAEFCQMVUHF-GOSISDBHSA-N 1 2 316.445 2.841 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC000175299640 337146716 /nfs/dbraw/zinc/14/67/16/337146716.db2.gz 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C=CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042925656 337409082 /nfs/dbraw/zinc/40/90/82/337409082.db2.gz RCONWTLZLHGGTC-ZIAGYGMSSA-N 1 2 303.406 2.603 20 30 DFEDLO C=CCC1(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCOCC1 ZINC000424804583 337427223 /nfs/dbraw/zinc/42/72/23/337427223.db2.gz FOCXWCAOLHBEFN-UHFFFAOYSA-N 1 2 317.433 2.551 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196856 337437438 /nfs/dbraw/zinc/43/74/38/337437438.db2.gz VLNINEUVFMHXSC-ARFHVFGLSA-N 1 2 308.385 2.740 20 30 DFEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H]1CC[C@H](C#N)C1 ZINC000425274453 337446046 /nfs/dbraw/zinc/44/60/46/337446046.db2.gz RJDRSDXFEPNRAH-QWHCGFSZSA-N 1 2 309.369 2.938 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419213816 337476421 /nfs/dbraw/zinc/47/64/21/337476421.db2.gz AHOAYBJHORSKKJ-ULQDDVLXSA-N 1 2 300.402 2.751 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)OCC ZINC000270487064 337640670 /nfs/dbraw/zinc/64/06/70/337640670.db2.gz ULQONNDJLZKQKJ-QGZVFWFLSA-N 1 2 313.401 2.860 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2cnn(CC)n2)cc1Cl ZINC000527732561 337759544 /nfs/dbraw/zinc/75/95/44/337759544.db2.gz ATBIRMMPXXIVRG-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2ccon2)CC1 ZINC000093560972 337918322 /nfs/dbraw/zinc/91/83/22/337918322.db2.gz CBQRVHQSKLBWBA-UHFFFAOYSA-N 1 2 313.401 2.557 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433302971 338190422 /nfs/dbraw/zinc/19/04/22/338190422.db2.gz KDVWWMHGVUDURT-HNNXBMFYSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433302971 338190423 /nfs/dbraw/zinc/19/04/23/338190423.db2.gz KDVWWMHGVUDURT-HNNXBMFYSA-N 1 2 303.406 2.894 20 30 DFEDLO N#CCCCOc1cccc(C[N@@H+]2CCc3cncnc3C2)c1 ZINC000435770944 338248361 /nfs/dbraw/zinc/24/83/61/338248361.db2.gz IXWMQTLBBLAVFE-UHFFFAOYSA-N 1 2 308.385 2.717 20 30 DFEDLO N#CCCCOc1cccc(C[N@H+]2CCc3cncnc3C2)c1 ZINC000435770944 338248362 /nfs/dbraw/zinc/24/83/62/338248362.db2.gz IXWMQTLBBLAVFE-UHFFFAOYSA-N 1 2 308.385 2.717 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000438342695 338340414 /nfs/dbraw/zinc/34/04/14/338340414.db2.gz UFXQDSKERBCMKG-MRXNPFEDSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000438342695 338340415 /nfs/dbraw/zinc/34/04/15/338340415.db2.gz UFXQDSKERBCMKG-MRXNPFEDSA-N 1 2 302.418 2.598 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459850 338387837 /nfs/dbraw/zinc/38/78/37/338387837.db2.gz JTCZVPASVCSBQN-HNNXBMFYSA-N 1 2 318.465 2.845 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459850 338387838 /nfs/dbraw/zinc/38/78/38/338387838.db2.gz JTCZVPASVCSBQN-HNNXBMFYSA-N 1 2 318.465 2.845 20 30 DFEDLO C=CCCCC[C@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000449210245 338602649 /nfs/dbraw/zinc/60/26/49/338602649.db2.gz RKMARVJCINADJW-INIZCTEOSA-N 1 2 306.454 2.762 20 30 DFEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000449987368 338662001 /nfs/dbraw/zinc/66/20/01/338662001.db2.gz QCMSWIZAAWZEOU-IAGOWNOFSA-N 1 2 320.477 2.692 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000450645735 338695713 /nfs/dbraw/zinc/69/57/13/338695713.db2.gz LTHCYJVRVUEQLK-XJKCOSOUSA-N 1 2 303.431 2.503 20 30 DFEDLO C=C(CC)CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000459072987 339012845 /nfs/dbraw/zinc/01/28/45/339012845.db2.gz IZYSXIAUUPLQGS-UHFFFAOYSA-N 1 2 304.316 2.553 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459666789 339041708 /nfs/dbraw/zinc/04/17/08/339041708.db2.gz ACSNLHRHNFDZHZ-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459666789 339041709 /nfs/dbraw/zinc/04/17/09/339041709.db2.gz ACSNLHRHNFDZHZ-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO C#CCN(C(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000491383161 339860099 /nfs/dbraw/zinc/86/00/99/339860099.db2.gz KYGZXIHNWDQIID-UHFFFAOYSA-N 1 2 307.397 2.928 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000491664396 339872034 /nfs/dbraw/zinc/87/20/34/339872034.db2.gz UABYERHORIZFNC-QGZVFWFLSA-N 1 2 324.428 2.779 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491773104 339880326 /nfs/dbraw/zinc/88/03/26/339880326.db2.gz BQYVYNHYHSYAHW-LSDHHAIUSA-N 1 2 315.417 2.565 20 30 DFEDLO COC(=O)N1CCC([C@H](C)/[NH+]=C\c2cccc(OC)c2O)CC1 ZINC000492326479 339897845 /nfs/dbraw/zinc/89/78/45/339897845.db2.gz FLWRMFMROZMTJC-SJWFJVLYSA-N 1 2 320.389 2.687 20 30 DFEDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000492865853 339910979 /nfs/dbraw/zinc/91/09/79/339910979.db2.gz VRDWXIMMIVOBBM-MDZDMXLPSA-N 1 2 314.348 2.856 20 30 DFEDLO CCc1c(C(=O)C[NH+]2CCC(CC#N)CC2)[nH]c(C)c1C(C)=O ZINC000542881154 341024866 /nfs/dbraw/zinc/02/48/66/341024866.db2.gz AZGUWFDHVCGOEU-UHFFFAOYSA-N 1 2 315.417 2.897 20 30 DFEDLO C#CC[NH+]1CCN(Cn2c(=S)oc3ccc(Cl)cc32)CC1 ZINC000079032220 341252381 /nfs/dbraw/zinc/25/23/81/341252381.db2.gz XHBUNCYDXQICBT-UHFFFAOYSA-N 1 2 321.833 2.825 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000080612415 341274164 /nfs/dbraw/zinc/27/41/64/341274164.db2.gz AQIKBMYZUCGTNG-ZDUSSCGKSA-N 1 2 307.825 2.914 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246074116 341323736 /nfs/dbraw/zinc/32/37/36/341323736.db2.gz JBSFPERUBYNYTE-ZIAGYGMSSA-N 1 2 303.406 2.813 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246074116 341323737 /nfs/dbraw/zinc/32/37/37/341323737.db2.gz JBSFPERUBYNYTE-ZIAGYGMSSA-N 1 2 303.406 2.813 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000565036681 341515597 /nfs/dbraw/zinc/51/55/97/341515597.db2.gz WFLGQFFVEHZUFT-WBVHZDCISA-N 1 2 308.385 2.607 20 30 DFEDLO N#CC1(CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000567205356 341586473 /nfs/dbraw/zinc/58/64/73/341586473.db2.gz FQGPZGUDSIKVSB-UHFFFAOYSA-N 1 2 308.385 2.724 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000424292061 500581461 /nfs/dbraw/zinc/58/14/61/500581461.db2.gz FZOHKSFHHUXOEQ-HNNXBMFYSA-N 1 2 301.350 2.613 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299455060 534256647 /nfs/dbraw/zinc/25/66/47/534256647.db2.gz XSQCCIMWRVAOMO-UHFFFAOYSA-N 1 2 324.384 2.809 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156459892 520140974 /nfs/dbraw/zinc/14/09/74/520140974.db2.gz FNOXGIJQFPRFNQ-CQSZACIVSA-N 1 2 323.400 2.778 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]1 ZINC000331326894 534589767 /nfs/dbraw/zinc/58/97/67/534589767.db2.gz GOJFMUKQFLAKTJ-LBPRGKRZSA-N 1 2 311.389 2.589 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000309673042 534822647 /nfs/dbraw/zinc/82/26/47/534822647.db2.gz KPBRWTXQTJCLAG-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000365045694 526689412 /nfs/dbraw/zinc/68/94/12/526689412.db2.gz PFIIOPHUAFTORR-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000302053573 527225318 /nfs/dbraw/zinc/22/53/18/527225318.db2.gz YJDRRRGNSZPNKD-SFHVURJKSA-N 1 2 315.417 2.530 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000680999763 545579264 /nfs/dbraw/zinc/57/92/64/545579264.db2.gz NGUBSQCNLAFEFR-ZFWWWQNUSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000680999763 545579268 /nfs/dbraw/zinc/57/92/68/545579268.db2.gz NGUBSQCNLAFEFR-ZFWWWQNUSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000683112406 545973569 /nfs/dbraw/zinc/97/35/69/545973569.db2.gz NJKKESQZNJTJKG-UHFFFAOYSA-N 1 2 315.442 2.694 20 30 DFEDLO C=CCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684120962 546155317 /nfs/dbraw/zinc/15/53/17/546155317.db2.gz SFPNKBNBAOHCHH-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)[O-])CC1 ZINC000823507100 605499851 /nfs/dbraw/zinc/49/98/51/605499851.db2.gz SDVMDWHTTFOFOD-DOTOQJQBSA-N 1 2 323.481 2.928 20 30 DFEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1F ZINC000823909476 608621299 /nfs/dbraw/zinc/62/12/99/608621299.db2.gz FRGOOCUFBBSVCW-UHFFFAOYSA-N 1 2 313.336 2.787 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1F ZINC000823909476 608621302 /nfs/dbraw/zinc/62/13/02/608621302.db2.gz FRGOOCUFBBSVCW-UHFFFAOYSA-N 1 2 313.336 2.787 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824085093 608679766 /nfs/dbraw/zinc/67/97/66/608679766.db2.gz AVPBQVAOGFPCNW-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824085093 608679769 /nfs/dbraw/zinc/67/97/69/608679769.db2.gz AVPBQVAOGFPCNW-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c[nH]1 ZINC000181221718 199267298 /nfs/dbraw/zinc/26/72/98/199267298.db2.gz HMBNKMNJJAONOC-UHFFFAOYSA-N 1 2 323.400 2.592 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)s1 ZINC000425488356 334926483 /nfs/dbraw/zinc/92/64/83/334926483.db2.gz MTUWZQZCMXMXQO-NSHDSACASA-N 1 2 318.373 2.771 20 30 DFEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cccc[nH+]1 ZINC000302706300 230817260 /nfs/dbraw/zinc/81/72/60/230817260.db2.gz CKUGIRYZPPCXQE-UHFFFAOYSA-N 1 2 318.384 2.766 20 30 DFEDLO COc1ccc(C)cc1CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000005111216 398350916 /nfs/dbraw/zinc/35/09/16/398350916.db2.gz KTGJCDKHKPHZGH-VXLYETTFSA-N 1 2 314.385 2.567 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497121636 398355304 /nfs/dbraw/zinc/35/53/04/398355304.db2.gz ADHBPNJGKJWHPY-GXSJLCMTSA-N 1 2 319.243 2.740 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497121636 398355307 /nfs/dbraw/zinc/35/53/07/398355307.db2.gz ADHBPNJGKJWHPY-GXSJLCMTSA-N 1 2 319.243 2.740 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000592026234 398374703 /nfs/dbraw/zinc/37/47/03/398374703.db2.gz OHSZXSBYDZZZLY-UHFFFAOYSA-N 1 2 323.400 2.565 20 30 DFEDLO CC(C)c1ccc(OCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000579718570 398382756 /nfs/dbraw/zinc/38/27/56/398382756.db2.gz JQWPXIWWOHBQOE-GOSISDBHSA-N 1 2 317.433 2.539 20 30 DFEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592103861 398384500 /nfs/dbraw/zinc/38/45/00/398384500.db2.gz PUFMHXCGFSWLNY-CQSZACIVSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592103861 398384503 /nfs/dbraw/zinc/38/45/03/398384503.db2.gz PUFMHXCGFSWLNY-CQSZACIVSA-N 1 2 301.390 2.507 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361480 185313987 /nfs/dbraw/zinc/31/39/87/185313987.db2.gz TYNMNMLXEIYBSF-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CC[N@H+](Cc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361480 185313988 /nfs/dbraw/zinc/31/39/88/185313988.db2.gz TYNMNMLXEIYBSF-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO Cc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092612872 185328719 /nfs/dbraw/zinc/32/87/19/185328719.db2.gz XOJYSDOSTSZGHK-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000592146502 398391585 /nfs/dbraw/zinc/39/15/85/398391585.db2.gz IPLBAWWGCKSLGS-QGZVFWFLSA-N 1 2 313.426 2.584 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000592146502 398391588 /nfs/dbraw/zinc/39/15/88/398391588.db2.gz IPLBAWWGCKSLGS-QGZVFWFLSA-N 1 2 313.426 2.584 20 30 DFEDLO Cc1c2cc(F)ccc2sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581669826 398392704 /nfs/dbraw/zinc/39/27/04/398392704.db2.gz IJOLMBPZDYNQTH-MRXNPFEDSA-N 1 2 319.405 2.923 20 30 DFEDLO N#Cc1sccc1N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000596353057 398392897 /nfs/dbraw/zinc/39/28/97/398392897.db2.gz SCXRTEQAJUBDDV-UHFFFAOYSA-N 1 2 311.414 2.614 20 30 DFEDLO Cc1nnc(NCc2ccc[nH+]c2N2CCCC2)c(C#N)c1C ZINC000596355300 398393194 /nfs/dbraw/zinc/39/31/94/398393194.db2.gz FZAUYOYDKRSVSY-UHFFFAOYSA-N 1 2 308.389 2.572 20 30 DFEDLO C[C@H]1c2ccccc2C[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000596449169 398415812 /nfs/dbraw/zinc/41/58/12/398415812.db2.gz YDNXRVIOQFVUDM-BLLLJJGKSA-N 1 2 318.384 2.880 20 30 DFEDLO C=C[C@H]([NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC ZINC000592446159 398427468 /nfs/dbraw/zinc/42/74/68/398427468.db2.gz XKMMSCSREDENIH-RISCZKNCSA-N 1 2 318.804 2.996 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)cs1 ZINC000592507955 398438002 /nfs/dbraw/zinc/43/80/02/398438002.db2.gz KHKPCLLGNYLLAR-HNNXBMFYSA-N 1 2 324.413 2.703 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cs1 ZINC000592507955 398438003 /nfs/dbraw/zinc/43/80/03/398438003.db2.gz KHKPCLLGNYLLAR-HNNXBMFYSA-N 1 2 324.413 2.703 20 30 DFEDLO Cc1csc([C@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC000592499191 398434378 /nfs/dbraw/zinc/43/43/78/398434378.db2.gz RBARAGAJMNLIJN-CQSZACIVSA-N 1 2 324.413 2.703 20 30 DFEDLO Cc1csc([C@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC000592499191 398434380 /nfs/dbraw/zinc/43/43/80/398434380.db2.gz RBARAGAJMNLIJN-CQSZACIVSA-N 1 2 324.413 2.703 20 30 DFEDLO COc1ncncc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000592504575 398436506 /nfs/dbraw/zinc/43/65/06/398436506.db2.gz IUJHQSOKIUGHQJ-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ncncc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000592504575 398436508 /nfs/dbraw/zinc/43/65/08/398436508.db2.gz IUJHQSOKIUGHQJ-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO CC(C)(C)C(F)(F)CNc1[nH+]cnc2c1cnn2CCC#N ZINC000596542705 398442895 /nfs/dbraw/zinc/44/28/95/398442895.db2.gz OWXGIHDSXVYTKT-UHFFFAOYSA-N 1 2 308.336 2.833 20 30 DFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000057879807 334953768 /nfs/dbraw/zinc/95/37/68/334953768.db2.gz KPPVHNOPUANZJS-LBPRGKRZSA-N 1 2 305.809 2.753 20 30 DFEDLO C[N@H+](Cc1ccccc1F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746121 398476087 /nfs/dbraw/zinc/47/60/87/398476087.db2.gz IIYRDKPSQSGQNW-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccccc1F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746121 398476090 /nfs/dbraw/zinc/47/60/90/398476090.db2.gz IIYRDKPSQSGQNW-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO N#CC1(CC(=O)NCCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000596701073 398481729 /nfs/dbraw/zinc/48/17/29/398481729.db2.gz QAOVPQJUWUNGGG-UHFFFAOYSA-N 1 2 310.401 2.857 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596704008 398481473 /nfs/dbraw/zinc/48/14/73/398481473.db2.gz XHEWHJSYEPLPLX-NSHDSACASA-N 1 2 313.361 2.573 20 30 DFEDLO N#CCCCCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000588150311 398484313 /nfs/dbraw/zinc/48/43/13/398484313.db2.gz CSPSJJQWOUBYSZ-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000029660006 398489603 /nfs/dbraw/zinc/48/96/03/398489603.db2.gz XJTMTDQFSFBJNQ-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO N#CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000029792549 398492350 /nfs/dbraw/zinc/49/23/50/398492350.db2.gz BTIZLNAYEGZTLX-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCCCCC#N)C2 ZINC000588363219 398497182 /nfs/dbraw/zinc/49/71/82/398497182.db2.gz DQHHMOIIDCKLMA-UHFFFAOYSA-N 1 2 302.422 2.902 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000083418991 192370948 /nfs/dbraw/zinc/37/09/48/192370948.db2.gz UNGYYFFMMKJLRJ-UHFFFAOYSA-N 1 2 323.849 2.978 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000083418991 192370950 /nfs/dbraw/zinc/37/09/50/192370950.db2.gz UNGYYFFMMKJLRJ-UHFFFAOYSA-N 1 2 323.849 2.978 20 30 DFEDLO C[C@@H](CC#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000596820438 398507653 /nfs/dbraw/zinc/50/76/53/398507653.db2.gz QHAPXOZMMGNIII-AWEZNQCLSA-N 1 2 300.406 2.628 20 30 DFEDLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000588925219 398516927 /nfs/dbraw/zinc/51/69/27/398516927.db2.gz DJRHIMNFJNHQFE-UHFFFAOYSA-N 1 2 321.359 2.876 20 30 DFEDLO C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000588953265 398519855 /nfs/dbraw/zinc/51/98/55/398519855.db2.gz ROKVMDSQWHBXRX-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000588953265 398519859 /nfs/dbraw/zinc/51/98/59/398519859.db2.gz ROKVMDSQWHBXRX-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO N#Cc1cc(NC(=O)CCCn2cc[nH+]c2)nc2ccccc12 ZINC000589042971 398522871 /nfs/dbraw/zinc/52/28/71/398522871.db2.gz AZLOEGMAEABXLG-UHFFFAOYSA-N 1 2 305.341 2.722 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000589128841 398529057 /nfs/dbraw/zinc/52/90/57/398529057.db2.gz OPNHFSCOHRJAHW-KRWDZBQOSA-N 1 2 322.412 2.978 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000596920673 398529806 /nfs/dbraw/zinc/52/98/06/398529806.db2.gz OSBYMBCXQJHAFB-ZDUSSCGKSA-N 1 2 324.384 2.732 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000596920673 398529808 /nfs/dbraw/zinc/52/98/08/398529808.db2.gz OSBYMBCXQJHAFB-ZDUSSCGKSA-N 1 2 324.384 2.732 20 30 DFEDLO C=CC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000068826978 398531800 /nfs/dbraw/zinc/53/18/00/398531800.db2.gz FSMKBVYKZKOVNS-UHFFFAOYSA-N 1 2 323.440 2.851 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cccc(C#N)c1 ZINC000068826978 398531804 /nfs/dbraw/zinc/53/18/04/398531804.db2.gz FSMKBVYKZKOVNS-UHFFFAOYSA-N 1 2 323.440 2.851 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)CO1 ZINC000593063786 398535992 /nfs/dbraw/zinc/53/59/92/398535992.db2.gz NDLWCGAMBPJPGE-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)CO1 ZINC000593063786 398535995 /nfs/dbraw/zinc/53/59/95/398535995.db2.gz NDLWCGAMBPJPGE-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596973071 398538918 /nfs/dbraw/zinc/53/89/18/398538918.db2.gz FMDUOAARDHBVMR-INIZCTEOSA-N 1 2 320.396 2.601 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596973071 398538921 /nfs/dbraw/zinc/53/89/21/398538921.db2.gz FMDUOAARDHBVMR-INIZCTEOSA-N 1 2 320.396 2.601 20 30 DFEDLO Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000596979199 398539867 /nfs/dbraw/zinc/53/98/67/398539867.db2.gz INTKRXVUSFYTKF-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000596979199 398539869 /nfs/dbraw/zinc/53/98/69/398539869.db2.gz INTKRXVUSFYTKF-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118922 398550526 /nfs/dbraw/zinc/55/05/26/398550526.db2.gz TXXZESVNWPHPJF-HIFRSBDPSA-N 1 2 306.312 2.503 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118922 398550528 /nfs/dbraw/zinc/55/05/28/398550528.db2.gz TXXZESVNWPHPJF-HIFRSBDPSA-N 1 2 306.312 2.503 20 30 DFEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593126609 398553326 /nfs/dbraw/zinc/55/33/26/398553326.db2.gz UFEWLQOFDPPFRI-KRWDZBQOSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593126609 398553328 /nfs/dbraw/zinc/55/33/28/398553328.db2.gz UFEWLQOFDPPFRI-KRWDZBQOSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589498160 398557539 /nfs/dbraw/zinc/55/75/39/398557539.db2.gz OPAMTWINJOUAJQ-CQSZACIVSA-N 1 2 301.419 2.665 20 30 DFEDLO Cc1cc(C)n([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589498160 398557540 /nfs/dbraw/zinc/55/75/40/398557540.db2.gz OPAMTWINJOUAJQ-CQSZACIVSA-N 1 2 301.419 2.665 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498065 398557754 /nfs/dbraw/zinc/55/77/54/398557754.db2.gz ATZLXCZPUIVAJA-UHFFFAOYSA-N 1 2 311.307 2.939 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498065 398557755 /nfs/dbraw/zinc/55/77/55/398557755.db2.gz ATZLXCZPUIVAJA-UHFFFAOYSA-N 1 2 311.307 2.939 20 30 DFEDLO N#Cc1cccc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000589499242 398557175 /nfs/dbraw/zinc/55/71/75/398557175.db2.gz MTRXKDPRBYWHQF-INIZCTEOSA-N 1 2 321.384 2.532 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000589511620 398558850 /nfs/dbraw/zinc/55/88/50/398558850.db2.gz YVENVBIUJIKRNF-CQSZACIVSA-N 1 2 303.362 2.807 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000589511620 398558856 /nfs/dbraw/zinc/55/88/56/398558856.db2.gz YVENVBIUJIKRNF-CQSZACIVSA-N 1 2 303.362 2.807 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000597117568 398570220 /nfs/dbraw/zinc/57/02/20/398570220.db2.gz VYMSGMVULORXTB-CQSZACIVSA-N 1 2 300.406 2.980 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000597131782 398571871 /nfs/dbraw/zinc/57/18/71/398571871.db2.gz WXNSGDAVNXPOJN-UZSYQUHHSA-N 1 2 316.470 2.973 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000597131782 398571872 /nfs/dbraw/zinc/57/18/72/398571872.db2.gz WXNSGDAVNXPOJN-UZSYQUHHSA-N 1 2 316.470 2.973 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000597135844 398574186 /nfs/dbraw/zinc/57/41/86/398574186.db2.gz PWOBCZFIQXUMTN-LBPRGKRZSA-N 1 2 316.311 2.510 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1cccc(Br)c1 ZINC000589752590 398574242 /nfs/dbraw/zinc/57/42/42/398574242.db2.gz FTAAFIUSELFBQK-ZDUSSCGKSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1cccc(Br)c1 ZINC000589752590 398574247 /nfs/dbraw/zinc/57/42/47/398574247.db2.gz FTAAFIUSELFBQK-ZDUSSCGKSA-N 1 2 312.207 2.651 20 30 DFEDLO Cc1ccc(-c2cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)cc1 ZINC000589826946 398577292 /nfs/dbraw/zinc/57/72/92/398577292.db2.gz IZPFRQSSWHMTGQ-IBGZPJMESA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@@H](CC#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000597170699 398581694 /nfs/dbraw/zinc/58/16/94/398581694.db2.gz XXSGJDWGMFSPCU-AWEZNQCLSA-N 1 2 300.406 2.628 20 30 DFEDLO Cc1nn(C)c(C[NH2+][C@H]2CCCC[C@H]2C#N)c1Br ZINC000597195526 398587150 /nfs/dbraw/zinc/58/71/50/398587150.db2.gz JPCOIYJQZCSIRT-QWRGUYRKSA-N 1 2 311.227 2.663 20 30 DFEDLO Cc1nn(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1Br ZINC000597195524 398587256 /nfs/dbraw/zinc/58/72/56/398587256.db2.gz JPCOIYJQZCSIRT-GHMZBOCLSA-N 1 2 311.227 2.663 20 30 DFEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCC(F)(F)F ZINC000597194715 398587648 /nfs/dbraw/zinc/58/76/48/398587648.db2.gz YKYAHXWKRLQYPS-UHFFFAOYSA-N 1 2 314.307 2.982 20 30 DFEDLO CCOc1c(OC)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597228168 398597616 /nfs/dbraw/zinc/59/76/16/398597616.db2.gz ANAQRYOTIAKTAP-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO CCOc1c(OC)cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597228168 398597617 /nfs/dbraw/zinc/59/76/17/398597617.db2.gz ANAQRYOTIAKTAP-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000597231442 398598722 /nfs/dbraw/zinc/59/87/22/398598722.db2.gz XHSWEPWNCADXJO-AWEZNQCLSA-N 1 2 319.206 2.832 20 30 DFEDLO COc1ccccc1-c1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231347 398598800 /nfs/dbraw/zinc/59/88/00/398598800.db2.gz LPGMSHYDAJJPIU-GOSISDBHSA-N 1 2 308.385 2.888 20 30 DFEDLO COc1ccccc1-c1ncc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231347 398598804 /nfs/dbraw/zinc/59/88/04/398598804.db2.gz LPGMSHYDAJJPIU-GOSISDBHSA-N 1 2 308.385 2.888 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NCC3(C#N)CCCC3)[nH+]c2c1 ZINC000593317016 398596402 /nfs/dbraw/zinc/59/64/02/398596402.db2.gz DSKBQPAGPHBLEB-UHFFFAOYSA-N 1 2 311.389 2.526 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000597248642 398606449 /nfs/dbraw/zinc/60/64/49/398606449.db2.gz CMLWVDRQROFPCK-CPUCHLNUSA-N 1 2 300.406 2.502 20 30 DFEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000590228963 398606704 /nfs/dbraw/zinc/60/67/04/398606704.db2.gz PVWBWKFURHLVBO-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000597255023 398608424 /nfs/dbraw/zinc/60/84/24/398608424.db2.gz FHKBNQJPSNFBFM-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000597255023 398608426 /nfs/dbraw/zinc/60/84/26/398608426.db2.gz FHKBNQJPSNFBFM-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000042978196 398608487 /nfs/dbraw/zinc/60/84/87/398608487.db2.gz XRPJPEYYTNWEPW-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000042978196 398608489 /nfs/dbraw/zinc/60/84/89/398608489.db2.gz XRPJPEYYTNWEPW-UHFFFAOYSA-N 1 2 311.385 2.967 20 30 DFEDLO CCOC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000092823758 398602323 /nfs/dbraw/zinc/60/23/23/398602323.db2.gz MOJIWUAAZPABQP-UHFFFAOYSA-N 1 2 304.365 2.863 20 30 DFEDLO Cc1ccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)c(N2CCCC2)[nH+]1 ZINC000351081286 398615658 /nfs/dbraw/zinc/61/56/58/398615658.db2.gz SVMXPAHPZSVBIO-PIGZYNQJSA-N 1 2 309.373 2.841 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ncc(C#N)cc1C ZINC000590396981 398618485 /nfs/dbraw/zinc/61/84/85/398618485.db2.gz SVTWQHPYLXLRNX-HNNXBMFYSA-N 1 2 323.400 2.846 20 30 DFEDLO N#Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000043329614 398618868 /nfs/dbraw/zinc/61/88/68/398618868.db2.gz DNCOUUOBPAAIGW-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)CC1 ZINC000590363775 398616894 /nfs/dbraw/zinc/61/68/94/398616894.db2.gz SDAGNFBDYVEJDN-AWEZNQCLSA-N 1 2 303.793 2.507 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093099973 398619384 /nfs/dbraw/zinc/61/93/84/398619384.db2.gz GNNAQVNZYYKFLI-UHFFFAOYSA-N 1 2 320.343 2.717 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093099973 398619386 /nfs/dbraw/zinc/61/93/86/398619386.db2.gz GNNAQVNZYYKFLI-UHFFFAOYSA-N 1 2 320.343 2.717 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593417288 398622974 /nfs/dbraw/zinc/62/29/74/398622974.db2.gz CVMJACCLYNJFJQ-UHFFFAOYSA-N 1 2 324.384 2.671 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593413688 398621623 /nfs/dbraw/zinc/62/16/23/398621623.db2.gz ZYRYWRLZLXTUFP-GFCCVEGCSA-N 1 2 309.373 2.561 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000590476930 398624972 /nfs/dbraw/zinc/62/49/72/398624972.db2.gz ZTMIZOPUSZYDSJ-IAGOWNOFSA-N 1 2 322.412 2.997 20 30 DFEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093323327 398630668 /nfs/dbraw/zinc/63/06/68/398630668.db2.gz HPZWLLHZRCSHEX-AWEZNQCLSA-N 1 2 304.390 2.753 20 30 DFEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093323327 398630673 /nfs/dbraw/zinc/63/06/73/398630673.db2.gz HPZWLLHZRCSHEX-AWEZNQCLSA-N 1 2 304.390 2.753 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593456233 398633939 /nfs/dbraw/zinc/63/39/39/398633939.db2.gz QEKFJMPDIWOOHK-UHFFFAOYSA-N 1 2 302.422 2.550 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000043984599 398634170 /nfs/dbraw/zinc/63/41/70/398634170.db2.gz GWDOFAHZYKPEQW-UHFFFAOYSA-N 1 2 309.369 2.611 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000597397880 398635201 /nfs/dbraw/zinc/63/52/01/398635201.db2.gz GRZFLPDQKXHUSW-CYBMUJFWSA-N 1 2 305.809 2.534 20 30 DFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)CC#N)c(C)c1 ZINC000597426621 398639140 /nfs/dbraw/zinc/63/91/40/398639140.db2.gz KVMINIIAJBKOSE-YOEHRIQHSA-N 1 2 310.401 2.907 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440263 398641079 /nfs/dbraw/zinc/64/10/79/398641079.db2.gz FJEFAEHBCWHRGR-KMUNFCNLSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440263 398641085 /nfs/dbraw/zinc/64/10/85/398641085.db2.gz FJEFAEHBCWHRGR-KMUNFCNLSA-N 1 2 323.799 2.890 20 30 DFEDLO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648849 398645453 /nfs/dbraw/zinc/64/54/53/398645453.db2.gz GNTARXZCDNSVEQ-YOEHRIQHSA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648849 398645454 /nfs/dbraw/zinc/64/54/54/398645454.db2.gz GNTARXZCDNSVEQ-YOEHRIQHSA-N 1 2 320.458 2.819 20 30 DFEDLO C=CCCC(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000364826009 398646884 /nfs/dbraw/zinc/64/68/84/398646884.db2.gz JZMWQXAKGHYXSQ-UHFFFAOYSA-N 1 2 312.417 2.610 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281042348 334971766 /nfs/dbraw/zinc/97/17/66/334971766.db2.gz ROWODPHIDBRPGF-HNNXBMFYSA-N 1 2 302.422 2.836 20 30 DFEDLO C#CC[NH+]1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1 ZINC000044756699 398653848 /nfs/dbraw/zinc/65/38/48/398653848.db2.gz FLRWJDAJFNHOOD-UHFFFAOYSA-N 1 2 321.833 2.825 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172433153 198096406 /nfs/dbraw/zinc/09/64/06/198096406.db2.gz OPGZUGLIRJSCPX-GFCCVEGCSA-N 1 2 321.222 2.817 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172433153 198096408 /nfs/dbraw/zinc/09/64/08/198096408.db2.gz OPGZUGLIRJSCPX-GFCCVEGCSA-N 1 2 321.222 2.817 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C)cn2)c(C#N)c1C ZINC000590754406 398667063 /nfs/dbraw/zinc/66/70/63/398667063.db2.gz FQSZEARBGSFLJG-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C)cn2)c(C#N)c1C ZINC000590754406 398667066 /nfs/dbraw/zinc/66/70/66/398667066.db2.gz FQSZEARBGSFLJG-UHFFFAOYSA-N 1 2 312.373 2.542 20 30 DFEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754417 398667120 /nfs/dbraw/zinc/66/71/20/398667120.db2.gz GGVVGPXXYNHFMK-UHFFFAOYSA-N 1 2 322.412 2.769 20 30 DFEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)nc1 ZINC000590754417 398667123 /nfs/dbraw/zinc/66/71/23/398667123.db2.gz GGVVGPXXYNHFMK-UHFFFAOYSA-N 1 2 322.412 2.769 20 30 DFEDLO CC[C@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1nccs1 ZINC000072684032 191215099 /nfs/dbraw/zinc/21/50/99/191215099.db2.gz PDFLYBZFSPLTST-AWEZNQCLSA-N 1 2 320.443 2.930 20 30 DFEDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1C#N ZINC000173360118 198206637 /nfs/dbraw/zinc/20/66/37/198206637.db2.gz KWYLNEJVZWFSGL-UHFFFAOYSA-N 1 2 312.373 2.817 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000590836182 398684743 /nfs/dbraw/zinc/68/47/43/398684743.db2.gz HRACGELXOKCPIR-HFBAOOFYSA-N 1 2 321.384 2.747 20 30 DFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1F ZINC000073513677 398684781 /nfs/dbraw/zinc/68/47/81/398684781.db2.gz JOUCJIVAZHEQET-LBPRGKRZSA-N 1 2 324.359 2.888 20 30 DFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nc(C4CC4)no3)CC2)cc1 ZINC000046086094 398694740 /nfs/dbraw/zinc/69/47/40/398694740.db2.gz WKGXDESTUNNYMD-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nc(C4CC4)no3)CC2)cc1 ZINC000046086094 398694743 /nfs/dbraw/zinc/69/47/43/398694743.db2.gz WKGXDESTUNNYMD-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597796046 398696970 /nfs/dbraw/zinc/69/69/70/398696970.db2.gz IFXBAAJANXHXKU-SWLSCSKDSA-N 1 2 308.385 2.606 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597796046 398696974 /nfs/dbraw/zinc/69/69/74/398696974.db2.gz IFXBAAJANXHXKU-SWLSCSKDSA-N 1 2 308.385 2.606 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332013673 234387798 /nfs/dbraw/zinc/38/77/98/234387798.db2.gz XUGCGTYCNLHRFM-UHFFFAOYSA-N 1 2 313.336 2.552 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000590958966 398708327 /nfs/dbraw/zinc/70/83/27/398708327.db2.gz ZFLSGFIQFUBUIR-MFKMUULPSA-N 1 2 319.206 2.879 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000590958964 398708270 /nfs/dbraw/zinc/70/82/70/398708270.db2.gz ZFLSGFIQFUBUIR-GWCFXTLKSA-N 1 2 319.206 2.879 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000593961550 398708821 /nfs/dbraw/zinc/70/88/21/398708821.db2.gz GWBSHQSWIOSBHW-ZDUSSCGKSA-N 1 2 308.385 2.837 20 30 DFEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000593991724 398715406 /nfs/dbraw/zinc/71/54/06/398715406.db2.gz JXIGZTPARCIBRL-UHFFFAOYSA-N 1 2 315.377 2.787 20 30 DFEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000591016872 398715845 /nfs/dbraw/zinc/71/58/45/398715845.db2.gz JTRPGPVKGMJPFL-HNNXBMFYSA-N 1 2 310.438 2.749 20 30 DFEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000591016872 398715847 /nfs/dbraw/zinc/71/58/47/398715847.db2.gz JTRPGPVKGMJPFL-HNNXBMFYSA-N 1 2 310.438 2.749 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591015521 398715660 /nfs/dbraw/zinc/71/56/60/398715660.db2.gz JMNBWPQRBFKESY-OAHLLOKOSA-N 1 2 322.449 2.893 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591015521 398715662 /nfs/dbraw/zinc/71/56/62/398715662.db2.gz JMNBWPQRBFKESY-OAHLLOKOSA-N 1 2 322.449 2.893 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000591026514 398716974 /nfs/dbraw/zinc/71/69/74/398716974.db2.gz HUQMHTRPMYAEGS-YOEHRIQHSA-N 1 2 320.458 2.774 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000591026514 398716976 /nfs/dbraw/zinc/71/69/76/398716976.db2.gz HUQMHTRPMYAEGS-YOEHRIQHSA-N 1 2 320.458 2.774 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000594009471 398720568 /nfs/dbraw/zinc/72/05/68/398720568.db2.gz SIVGSVTYURSSNQ-LLVKDONJSA-N 1 2 307.195 2.879 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019312 398723161 /nfs/dbraw/zinc/72/31/61/398723161.db2.gz JXHIWCXWXIZODP-INIZCTEOSA-N 1 2 311.385 2.537 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1cc(C)c([N+](=O)[O-])cc1C#N)C2 ZINC000591144491 398731670 /nfs/dbraw/zinc/73/16/70/398731670.db2.gz ZOXZHVYZJSPHSY-UHFFFAOYSA-N 1 2 311.345 2.608 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCC[C@@H]1C1CC1 ZINC000591186603 398737074 /nfs/dbraw/zinc/73/70/74/398737074.db2.gz HEURAVSLHPLNED-ZIAGYGMSSA-N 1 2 310.405 2.978 20 30 DFEDLO C=C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)C(=O)OC ZINC000591377751 398754714 /nfs/dbraw/zinc/75/47/14/398754714.db2.gz FEKWIAAJOVRKIM-XHDPSFHLSA-N 1 2 304.365 2.566 20 30 DFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000078479653 191868577 /nfs/dbraw/zinc/86/85/77/191868577.db2.gz ODZXBALGEHJITP-KRWDZBQOSA-N 1 2 316.445 2.702 20 30 DFEDLO Cc1cc(CNC(=O)N2Cc3ccc(C#N)cc3C2)cc(C)[nH+]1 ZINC000594247981 398774106 /nfs/dbraw/zinc/77/41/06/398774106.db2.gz ITAQDHAFLYXCTP-UHFFFAOYSA-N 1 2 306.369 2.796 20 30 DFEDLO O=C(C#Cc1ccccc1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000081562388 192292707 /nfs/dbraw/zinc/29/27/07/192292707.db2.gz ZAIJKTGZANTQMT-UHFFFAOYSA-N 1 2 320.392 2.509 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(COC(C)(C)C)cc1 ZINC000591774110 398786876 /nfs/dbraw/zinc/78/68/76/398786876.db2.gz QYAULPCUGXYPEH-KRWDZBQOSA-N 1 2 319.449 2.620 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(COC(C)(C)C)cc1 ZINC000591774110 398786878 /nfs/dbraw/zinc/78/68/78/398786878.db2.gz QYAULPCUGXYPEH-KRWDZBQOSA-N 1 2 319.449 2.620 20 30 DFEDLO N#CCCCCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000594360967 398787204 /nfs/dbraw/zinc/78/72/04/398787204.db2.gz FYMWATVGWAWBJB-UHFFFAOYSA-N 1 2 301.381 2.554 20 30 DFEDLO Cc1cc(NC[C@H](CO)c2ccc(Cl)cc2)c(C#N)c[nH+]1 ZINC000591825107 398792697 /nfs/dbraw/zinc/79/26/97/398792697.db2.gz ZATIIEFKGKSADJ-CQSZACIVSA-N 1 2 301.777 2.525 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC2)cc1 ZINC000594423222 398796843 /nfs/dbraw/zinc/79/68/43/398796843.db2.gz QZIAYSSKQNZFHK-OAHLLOKOSA-N 1 2 320.396 2.513 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000049970945 398801304 /nfs/dbraw/zinc/80/13/04/398801304.db2.gz VHLUJEZYNRJQGZ-UHFFFAOYSA-N 1 2 315.461 2.542 20 30 DFEDLO C[C@]1(C#N)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598416511 398809487 /nfs/dbraw/zinc/80/94/87/398809487.db2.gz BRBSMWKVYQUMES-CRAIPNDOSA-N 1 2 308.385 2.694 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594510333 398812714 /nfs/dbraw/zinc/81/27/14/398812714.db2.gz IUCLMMGDFAKLFE-JKSUJKDBSA-N 1 2 323.400 2.695 20 30 DFEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccsc1 ZINC000128201380 398826885 /nfs/dbraw/zinc/82/68/85/398826885.db2.gz IPRUJNARVDLDNW-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccsc1 ZINC000128201380 398826886 /nfs/dbraw/zinc/82/68/86/398826886.db2.gz IPRUJNARVDLDNW-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1C#N ZINC000286499586 291130815 /nfs/dbraw/zinc/13/08/15/291130815.db2.gz YCESYILNIQCWDA-JSGCOSHPSA-N 1 2 305.809 2.511 20 30 DFEDLO COc1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1C ZINC000180029966 199109769 /nfs/dbraw/zinc/10/97/69/199109769.db2.gz CVRVQJLMIVBDKF-UHFFFAOYSA-N 1 2 310.401 2.773 20 30 DFEDLO COc1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1C ZINC000180029966 199109770 /nfs/dbraw/zinc/10/97/70/199109770.db2.gz CVRVQJLMIVBDKF-UHFFFAOYSA-N 1 2 310.401 2.773 20 30 DFEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC(C)(C)C#N ZINC000598594741 398838075 /nfs/dbraw/zinc/83/80/75/398838075.db2.gz ITRHLMINGJOYPL-SECBINFHSA-N 1 2 321.368 2.894 20 30 DFEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)CC(C)(C)C#N ZINC000598594741 398838076 /nfs/dbraw/zinc/83/80/76/398838076.db2.gz ITRHLMINGJOYPL-SECBINFHSA-N 1 2 321.368 2.894 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000598609278 398840749 /nfs/dbraw/zinc/84/07/49/398840749.db2.gz ZYEGZZRRUNOMDA-XJKSGUPXSA-N 1 2 324.371 2.639 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000598609278 398840750 /nfs/dbraw/zinc/84/07/50/398840750.db2.gz ZYEGZZRRUNOMDA-XJKSGUPXSA-N 1 2 324.371 2.639 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153762 398843869 /nfs/dbraw/zinc/84/38/69/398843869.db2.gz GBVWAPFVOWDEIM-ROUUACIJSA-N 1 2 324.428 2.520 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153762 398843873 /nfs/dbraw/zinc/84/38/73/398843873.db2.gz GBVWAPFVOWDEIM-ROUUACIJSA-N 1 2 324.428 2.520 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(C#N)c1 ZINC000594710593 398846822 /nfs/dbraw/zinc/84/68/22/398846822.db2.gz JGJIPYQOHQRUHE-WDEREUQCSA-N 1 2 300.387 2.693 20 30 DFEDLO COC(=O)C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000052830675 398852326 /nfs/dbraw/zinc/85/23/26/398852326.db2.gz YRESTPJYYAFJGZ-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO COC(=O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000052830675 398852332 /nfs/dbraw/zinc/85/23/32/398852332.db2.gz YRESTPJYYAFJGZ-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1nccs1)[C@H]1CCc2ccccc21 ZINC000052845919 398852844 /nfs/dbraw/zinc/85/28/44/398852844.db2.gz QYLFFTQCOGHCAP-HNNXBMFYSA-N 1 2 311.410 2.704 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1nccs1)[C@H]1CCc2ccccc21 ZINC000052845919 398852848 /nfs/dbraw/zinc/85/28/48/398852848.db2.gz QYLFFTQCOGHCAP-HNNXBMFYSA-N 1 2 311.410 2.704 20 30 DFEDLO CC(C)(C#N)C[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000598701362 398857919 /nfs/dbraw/zinc/85/79/19/398857919.db2.gz KDEHNWOGIJPMDD-VIFPVBQESA-N 1 2 312.295 2.751 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000598728892 398863128 /nfs/dbraw/zinc/86/31/28/398863128.db2.gz FTZVNBHJDPOFRR-ZDUSSCGKSA-N 1 2 300.324 2.808 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCN1CC(F)F ZINC000153461066 283369408 /nfs/dbraw/zinc/36/94/08/283369408.db2.gz DTQICTQCCBDPOT-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCN1CC(F)F ZINC000153461066 283369414 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Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595621087 399006211 /nfs/dbraw/zinc/00/62/11/399006211.db2.gz SUIHYHMGCGSLEA-ZDUSSCGKSA-N 1 2 316.430 2.801 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595621087 399006214 /nfs/dbraw/zinc/00/62/14/399006214.db2.gz SUIHYHMGCGSLEA-ZDUSSCGKSA-N 1 2 316.430 2.801 20 30 DFEDLO CC(C)n1nccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630098 399010701 /nfs/dbraw/zinc/01/07/01/399010701.db2.gz SXKRRUIAXRQVGH-UHFFFAOYSA-N 1 2 315.446 2.719 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599596151 399025740 /nfs/dbraw/zinc/02/57/40/399025740.db2.gz NVKQREHKIITJRN-KFWWJZLASA-N 1 2 305.422 2.730 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599596151 399025745 /nfs/dbraw/zinc/02/57/45/399025745.db2.gz NVKQREHKIITJRN-KFWWJZLASA-N 1 2 305.422 2.730 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cscn2)c(C#N)c1C ZINC000595668347 399026218 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Cc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000595769861 399078196 /nfs/dbraw/zinc/07/81/96/399078196.db2.gz UPOABHDPLAXSOL-UHFFFAOYSA-N 1 2 314.414 2.514 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)o1 ZINC000092149144 193167974 /nfs/dbraw/zinc/16/79/74/193167974.db2.gz PDXGOWIPCSLMAZ-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)o1 ZINC000092149144 193167975 /nfs/dbraw/zinc/16/79/75/193167975.db2.gz PDXGOWIPCSLMAZ-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO COCCOc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092158667 193169045 /nfs/dbraw/zinc/16/90/45/193169045.db2.gz SGESFMFPIQSUDE-UHFFFAOYSA-N 1 2 322.368 2.843 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000618329950 399082112 /nfs/dbraw/zinc/08/21/12/399082112.db2.gz MRGMQTBCYNMIER-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000618329950 399082115 /nfs/dbraw/zinc/08/21/15/399082115.db2.gz MRGMQTBCYNMIER-QGZVFWFLSA-N 1 2 301.390 2.651 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000058453531 399083122 /nfs/dbraw/zinc/08/31/22/399083122.db2.gz AXNXPSRJUMKLIG-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835377 399105270 /nfs/dbraw/zinc/10/52/70/399105270.db2.gz QVZJPZNOZNYQRL-CXAGYDPISA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835377 399105276 /nfs/dbraw/zinc/10/52/76/399105276.db2.gz QVZJPZNOZNYQRL-CXAGYDPISA-N 1 2 303.381 2.581 20 30 DFEDLO C=CCc1cc(C[NH2+]C(C)(C)c2nc(C)no2)cc(OC)c1O ZINC000283866220 335008111 /nfs/dbraw/zinc/00/81/11/335008111.db2.gz GLOYERRDDYKFRX-UHFFFAOYSA-N 1 2 317.389 2.846 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839293 399108205 /nfs/dbraw/zinc/10/82/05/399108205.db2.gz HMZZQFUYAUBSPK-NVXWUHKLSA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839293 399108210 /nfs/dbraw/zinc/10/82/10/399108210.db2.gz HMZZQFUYAUBSPK-NVXWUHKLSA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839296 399108411 /nfs/dbraw/zinc/10/84/11/399108411.db2.gz HMZZQFUYAUBSPK-RDJZCZTQSA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000595839296 399108416 /nfs/dbraw/zinc/10/84/16/399108416.db2.gz HMZZQFUYAUBSPK-RDJZCZTQSA-N 1 2 301.365 2.557 20 30 DFEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000606896497 399122304 /nfs/dbraw/zinc/12/23/04/399122304.db2.gz UUZOEBGXPPARQU-UHFFFAOYSA-N 1 2 322.474 2.692 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000595919016 399137139 /nfs/dbraw/zinc/13/71/39/399137139.db2.gz PZCIFZNGKCVIIE-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000595919016 399137143 /nfs/dbraw/zinc/13/71/43/399137143.db2.gz PZCIFZNGKCVIIE-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000060569273 399138583 /nfs/dbraw/zinc/13/85/83/399138583.db2.gz WFIRWNVMQROTKE-HUUCEWRRSA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000060569273 399138587 /nfs/dbraw/zinc/13/85/87/399138587.db2.gz WFIRWNVMQROTKE-HUUCEWRRSA-N 1 2 301.434 2.908 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1 ZINC000264803394 204169162 /nfs/dbraw/zinc/16/91/62/204169162.db2.gz RKFOXTDELIYZDM-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000183813095 399155072 /nfs/dbraw/zinc/15/50/72/399155072.db2.gz NXWYQCHAAVKVIP-AWEZNQCLSA-N 1 2 311.385 2.918 20 30 DFEDLO C#CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000264958064 204302580 /nfs/dbraw/zinc/30/25/80/204302580.db2.gz NACHISUKDRGXLB-GFCCVEGCSA-N 1 2 306.435 2.520 20 30 DFEDLO C#CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000264958064 204302584 /nfs/dbraw/zinc/30/25/84/204302584.db2.gz NACHISUKDRGXLB-GFCCVEGCSA-N 1 2 306.435 2.520 20 30 DFEDLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000618568156 399162548 /nfs/dbraw/zinc/16/25/48/399162548.db2.gz SMWPJDFFEPXVLZ-SNVBAGLBSA-N 1 2 302.305 2.928 20 30 DFEDLO CC[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)cc1 ZINC000618572695 399164933 /nfs/dbraw/zinc/16/49/33/399164933.db2.gz BWINRVSHGNKBJR-QGZVFWFLSA-N 1 2 310.401 2.945 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278172387 214003039 /nfs/dbraw/zinc/00/30/39/214003039.db2.gz UVVPZYHDWVUOTG-HZSPNIEDSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278172387 214003041 /nfs/dbraw/zinc/00/30/41/214003041.db2.gz UVVPZYHDWVUOTG-HZSPNIEDSA-N 1 2 307.394 2.649 20 30 DFEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000618577362 399166929 /nfs/dbraw/zinc/16/69/29/399166929.db2.gz BJYLCROJBNLNBG-BBRMVZONSA-N 1 2 313.380 2.637 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666601 335015987 /nfs/dbraw/zinc/01/59/87/335015987.db2.gz DNLKZJYFTBVDKA-KZNAEPCWSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666601 335015988 /nfs/dbraw/zinc/01/59/88/335015988.db2.gz DNLKZJYFTBVDKA-KZNAEPCWSA-N 1 2 319.832 2.553 20 30 DFEDLO N#Cc1cc2cccnc2nc1NCc1cn2c([nH+]1)CCCC2 ZINC000596105557 399175221 /nfs/dbraw/zinc/17/52/21/399175221.db2.gz VDLFRBJZLJEVKC-UHFFFAOYSA-N 1 2 304.357 2.646 20 30 DFEDLO COc1ccc(OC)c2c1C[N@H+](CC#Cc1ccccc1)C[C@@H]2O ZINC000191940370 335018317 /nfs/dbraw/zinc/01/83/17/335018317.db2.gz CIMNZDLEBQLUCO-KRWDZBQOSA-N 1 2 323.392 2.605 20 30 DFEDLO COc1ccc(OC)c2c1C[N@@H+](CC#Cc1ccccc1)C[C@@H]2O ZINC000191940370 335018318 /nfs/dbraw/zinc/01/83/18/335018318.db2.gz CIMNZDLEBQLUCO-KRWDZBQOSA-N 1 2 323.392 2.605 20 30 DFEDLO N#Cc1cc(F)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000266407660 205324110 /nfs/dbraw/zinc/32/41/10/205324110.db2.gz QCYWAYBPCBUOEJ-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1cc(F)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266407660 205324113 /nfs/dbraw/zinc/32/41/13/205324113.db2.gz QCYWAYBPCBUOEJ-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#CCCN1CC[NH+](Cc2sccc2Br)CC1 ZINC000063763242 399207066 /nfs/dbraw/zinc/20/70/66/399207066.db2.gz LQIFELIJDMMWHM-UHFFFAOYSA-N 1 2 314.252 2.542 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000622133711 399205736 /nfs/dbraw/zinc/20/57/36/399205736.db2.gz HKRDHHNDKKHUMD-QBPKDAKJSA-N 1 2 317.433 2.539 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(CC#Cc3ccccc3)CC2)s1 ZINC000191998947 335021592 /nfs/dbraw/zinc/02/15/92/335021592.db2.gz CSRFZVPQIBMMAS-UHFFFAOYSA-N 1 2 311.454 2.621 20 30 DFEDLO Cc1ccc([C@@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000267419355 206053839 /nfs/dbraw/zinc/05/38/39/206053839.db2.gz UEJXHHOTOBAIBD-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2cc(C#N)nc(C3CC3)n2)CC1(C)C ZINC000601170359 399246885 /nfs/dbraw/zinc/24/68/85/399246885.db2.gz PFJPWQVPGKGGCG-CQSZACIVSA-N 1 2 308.389 2.547 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000286276501 335031127 /nfs/dbraw/zinc/03/11/27/335031127.db2.gz HTCFTSUELXYVPH-MRXNPFEDSA-N 1 2 306.413 2.511 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000286276501 335031128 /nfs/dbraw/zinc/03/11/28/335031128.db2.gz HTCFTSUELXYVPH-MRXNPFEDSA-N 1 2 306.413 2.511 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286349944 335033162 /nfs/dbraw/zinc/03/31/62/335033162.db2.gz KTWUJKLGHFPUHR-OAHLLOKOSA-N 1 2 320.437 2.636 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OC)C1 ZINC000267807380 206296987 /nfs/dbraw/zinc/29/69/87/206296987.db2.gz MCJFQXOBGGVPLN-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OC)C1 ZINC000267807380 206296990 /nfs/dbraw/zinc/29/69/90/206296990.db2.gz MCJFQXOBGGVPLN-ZDUSSCGKSA-N 1 2 306.431 2.624 20 30 DFEDLO CC(C)(CC(F)(F)F)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000614830560 399273866 /nfs/dbraw/zinc/27/38/66/399273866.db2.gz IFNPSGVPTVEGPX-UHFFFAOYSA-N 1 2 312.299 2.883 20 30 DFEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286888870 335037382 /nfs/dbraw/zinc/03/73/82/335037382.db2.gz OUCFZNJGIRJDKT-QGZVFWFLSA-N 1 2 317.433 2.681 20 30 DFEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286888868 335037435 /nfs/dbraw/zinc/03/74/35/335037435.db2.gz OUCFZNJGIRJDKT-KRWDZBQOSA-N 1 2 317.433 2.681 20 30 DFEDLO CC(C)C[C@@H](CNc1ncc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000608884996 399299717 /nfs/dbraw/zinc/29/97/17/399299717.db2.gz AMHUNWOPMLYESL-AWEZNQCLSA-N 1 2 322.840 2.765 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)c2ccccc2CC#N)n1 ZINC000601629254 399311637 /nfs/dbraw/zinc/31/16/37/399311637.db2.gz GYUKOWKIRYMENW-UHFFFAOYSA-N 1 2 300.387 2.523 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000609556539 399323012 /nfs/dbraw/zinc/32/30/12/399323012.db2.gz UGMKPIGUEYAFNP-CQSZACIVSA-N 1 2 313.336 2.763 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000601709723 399325978 /nfs/dbraw/zinc/32/59/78/399325978.db2.gz FILIPISVYAVGDK-JKSUJKDBSA-N 1 2 319.380 2.525 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000601709723 399325982 /nfs/dbraw/zinc/32/59/82/399325982.db2.gz FILIPISVYAVGDK-JKSUJKDBSA-N 1 2 319.380 2.525 20 30 DFEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000609676552 399329594 /nfs/dbraw/zinc/32/95/94/399329594.db2.gz ODWSUZZWXHIWJB-XQAQDONZSA-N 1 2 309.369 2.591 20 30 DFEDLO Cc1ccc(CCNc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000609704213 399330284 /nfs/dbraw/zinc/33/02/84/399330284.db2.gz FXGICUYXPZCLHN-UHFFFAOYSA-N 1 2 306.373 2.703 20 30 DFEDLO Cc1cncc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000615442823 399337262 /nfs/dbraw/zinc/33/72/62/399337262.db2.gz SPBCBPIELLFJCR-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004004 399338490 /nfs/dbraw/zinc/33/84/90/399338490.db2.gz YAYKGBWFDJJAKJ-FZKQIMNGSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610004004 399338493 /nfs/dbraw/zinc/33/84/93/399338493.db2.gz YAYKGBWFDJJAKJ-FZKQIMNGSA-N 1 2 317.408 2.799 20 30 DFEDLO CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000601808800 399340292 /nfs/dbraw/zinc/34/02/92/399340292.db2.gz XHTZTIBRTAJKHF-WBVHZDCISA-N 1 2 308.385 2.565 20 30 DFEDLO N#CC[C@@H](CC(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000619434370 399345827 /nfs/dbraw/zinc/34/58/27/399345827.db2.gz DKBUPVWLXGWGIM-INIZCTEOSA-N 1 2 321.380 2.759 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2NCCNc1cccc[nH+]1 ZINC000610211316 399346983 /nfs/dbraw/zinc/34/69/83/399346983.db2.gz MNICWBWCKOUGAN-UHFFFAOYSA-N 1 2 303.369 2.756 20 30 DFEDLO Cc1ccnc(N[C@H](c2[nH+]ccn2C)C2CCOCC2)c1C#N ZINC000284635121 218109216 /nfs/dbraw/zinc/10/92/16/218109216.db2.gz TWGDAGIAWOMALZ-HNNXBMFYSA-N 1 2 311.389 2.575 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2N1CCc2c([nH+]cn2C)C1 ZINC000610277420 399352592 /nfs/dbraw/zinc/35/25/92/399352592.db2.gz GLBZWODPJRDFRS-UHFFFAOYSA-N 1 2 303.369 2.711 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@@H](O)CC3(C#N)CCOCC3)c2cc1C ZINC000601953049 399367766 /nfs/dbraw/zinc/36/77/66/399367766.db2.gz KJCQFQLGVAMUKN-HNNXBMFYSA-N 1 2 313.401 2.725 20 30 DFEDLO N#CC1(C[C@@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CC1 ZINC000601957435 399368498 /nfs/dbraw/zinc/36/84/98/399368498.db2.gz HPDSQCMNOOMTMT-SECBINFHSA-N 1 2 310.279 2.505 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000623361694 399372616 /nfs/dbraw/zinc/37/26/16/399372616.db2.gz KXBKMDAZCPVODQ-HNNXBMFYSA-N 1 2 312.417 2.952 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(O)c(=O)c1 ZINC000601980529 399373495 /nfs/dbraw/zinc/37/34/95/399373495.db2.gz MRJHBEYPDGKZBL-GDBMZVCRSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(O)c(=O)c1 ZINC000601980529 399373497 /nfs/dbraw/zinc/37/34/97/399373497.db2.gz MRJHBEYPDGKZBL-GDBMZVCRSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000610542930 399379866 /nfs/dbraw/zinc/37/98/66/399379866.db2.gz KVMJUAMHDZVKRJ-SFHVURJKSA-N 1 2 315.848 2.857 20 30 DFEDLO C=C(C)[C@@H](Cc1nc(Cc2cn3ccccc3[nH+]2)no1)OCC ZINC000273756464 211031285 /nfs/dbraw/zinc/03/12/85/211031285.db2.gz QKLSHSIRHXWQSO-CQSZACIVSA-N 1 2 312.373 2.832 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000610582003 399382675 /nfs/dbraw/zinc/38/26/75/399382675.db2.gz GGJLBWGFOSKGGG-WBVHZDCISA-N 1 2 310.353 2.855 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000610582003 399382678 /nfs/dbraw/zinc/38/26/78/399382678.db2.gz GGJLBWGFOSKGGG-WBVHZDCISA-N 1 2 310.353 2.855 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428238263 269677535 /nfs/dbraw/zinc/67/75/35/269677535.db2.gz OIQRNAFPFUZZFX-CVEARBPZSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(F)c1C#N ZINC000428238263 269677536 /nfs/dbraw/zinc/67/75/36/269677536.db2.gz OIQRNAFPFUZZFX-CVEARBPZSA-N 1 2 317.408 2.919 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602053769 399390256 /nfs/dbraw/zinc/39/02/56/399390256.db2.gz ZTTNFBZKFSTGEL-ZDUSSCGKSA-N 1 2 322.290 2.565 20 30 DFEDLO CC(C)N(CCC#N)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088223 399393060 /nfs/dbraw/zinc/39/30/60/399393060.db2.gz ILZHZJKACRDLHK-LLVKDONJSA-N 1 2 302.300 2.527 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602083082 399393076 /nfs/dbraw/zinc/39/30/76/399393076.db2.gz JTLANFKSTCKIQN-CHWSQXEVSA-N 1 2 310.357 2.811 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602083082 399393079 /nfs/dbraw/zinc/39/30/79/399393079.db2.gz JTLANFKSTCKIQN-CHWSQXEVSA-N 1 2 310.357 2.811 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602090538 399393812 /nfs/dbraw/zinc/39/38/12/399393812.db2.gz CIAWKBZAEJELBP-LBPRGKRZSA-N 1 2 314.311 2.529 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602106867 399395249 /nfs/dbraw/zinc/39/52/49/399395249.db2.gz LWBWTBLQARFNHU-XLMAVXFVSA-N 1 2 320.396 2.812 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602106867 399395252 /nfs/dbraw/zinc/39/52/52/399395252.db2.gz LWBWTBLQARFNHU-XLMAVXFVSA-N 1 2 320.396 2.812 20 30 DFEDLO C=CC[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1F ZINC000056312553 184009943 /nfs/dbraw/zinc/00/99/43/184009943.db2.gz IDUXJJYYUJHHEX-UHFFFAOYSA-N 1 2 302.349 2.723 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1F ZINC000056312553 184009944 /nfs/dbraw/zinc/00/99/44/184009944.db2.gz IDUXJJYYUJHHEX-UHFFFAOYSA-N 1 2 302.349 2.723 20 30 DFEDLO C=CC(C)(C)CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000623576009 399420272 /nfs/dbraw/zinc/42/02/72/399420272.db2.gz ZOEXBEQOAAGXDW-UHFFFAOYSA-N 1 2 318.343 2.847 20 30 DFEDLO N#CCCC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000602317352 399423536 /nfs/dbraw/zinc/42/35/36/399423536.db2.gz GKLLNRMPSBPMSU-DOTOQJQBSA-N 1 2 323.400 2.542 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000623575764 399419644 /nfs/dbraw/zinc/41/96/44/399419644.db2.gz OHSRWUINIRESAD-NSHDSACASA-N 1 2 316.327 2.553 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991468 399424981 /nfs/dbraw/zinc/42/49/81/399424981.db2.gz GWTIGJOPHICCEF-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991468 399424983 /nfs/dbraw/zinc/42/49/83/399424983.db2.gz GWTIGJOPHICCEF-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1oc(-c2ccccc2)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331435 399425668 /nfs/dbraw/zinc/42/56/68/399425668.db2.gz DGIGVHHAAKOSKB-GOSISDBHSA-N 1 2 311.385 2.829 20 30 DFEDLO CC[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000610993324 399425853 /nfs/dbraw/zinc/42/58/53/399425853.db2.gz NAAICFCJIXKUGV-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000610993324 399425857 /nfs/dbraw/zinc/42/58/57/399425857.db2.gz NAAICFCJIXKUGV-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C(F)(F)F ZINC000602331923 399425876 /nfs/dbraw/zinc/42/58/76/399425876.db2.gz IKTSULUIHJYIQY-CQSZACIVSA-N 1 2 313.323 2.588 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000610992710 399426087 /nfs/dbraw/zinc/42/60/87/399426087.db2.gz DGTKEYIQINGTSP-UHFFFAOYSA-N 1 2 322.364 2.869 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000610992710 399426089 /nfs/dbraw/zinc/42/60/89/399426089.db2.gz DGTKEYIQINGTSP-UHFFFAOYSA-N 1 2 322.364 2.869 20 30 DFEDLO N#C[C@H]1C[N@H+](CCC2CCOCC2)CCN1Cc1ccccc1 ZINC000616169468 399428952 /nfs/dbraw/zinc/42/89/52/399428952.db2.gz WHRWHUQPCYJQDT-IBGZPJMESA-N 1 2 313.445 2.513 20 30 DFEDLO N#C[C@H]1C[N@@H+](CCC2CCOCC2)CCN1Cc1ccccc1 ZINC000616169468 399428953 /nfs/dbraw/zinc/42/89/53/399428953.db2.gz WHRWHUQPCYJQDT-IBGZPJMESA-N 1 2 313.445 2.513 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000611174724 399441290 /nfs/dbraw/zinc/44/12/90/399441290.db2.gz LTFPOJCLWHFOKY-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(F)c1 ZINC000602434156 399443306 /nfs/dbraw/zinc/44/33/06/399443306.db2.gz NDTJNURJDRSGRH-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602443984 399445880 /nfs/dbraw/zinc/44/58/80/399445880.db2.gz HWHZJYBZTKFYIL-GOSISDBHSA-N 1 2 324.428 2.891 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602443984 399445884 /nfs/dbraw/zinc/44/58/84/399445884.db2.gz HWHZJYBZTKFYIL-GOSISDBHSA-N 1 2 324.428 2.891 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235473 399465902 /nfs/dbraw/zinc/46/59/02/399465902.db2.gz QGKGEWXDMGEJTG-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000620235473 399465904 /nfs/dbraw/zinc/46/59/04/399465904.db2.gz QGKGEWXDMGEJTG-UHFFFAOYSA-N 1 2 324.424 3.000 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000623800328 399468263 /nfs/dbraw/zinc/46/82/63/399468263.db2.gz DUFUYHAOGITSTE-CQSZACIVSA-N 1 2 302.422 2.562 20 30 DFEDLO COC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)c(F)c1 ZINC000602582793 399482379 /nfs/dbraw/zinc/48/23/79/399482379.db2.gz OJRRBTUCMUGKJU-INIZCTEOSA-N 1 2 303.312 2.709 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1snc(OC)c1Br ZINC000602609598 399489704 /nfs/dbraw/zinc/48/97/04/399489704.db2.gz DPGWIEBVSBISCY-SSDOTTSWSA-N 1 2 304.213 2.696 20 30 DFEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602618529 399491743 /nfs/dbraw/zinc/49/17/43/399491743.db2.gz IVJJEQFAFCYNSW-UHFFFAOYSA-N 1 2 305.385 2.865 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000602644368 399500692 /nfs/dbraw/zinc/50/06/92/399500692.db2.gz MVHNUPIVVDZMSF-HJWJTTGWSA-N 1 2 303.402 2.512 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602644061 399500879 /nfs/dbraw/zinc/50/08/79/399500879.db2.gz UNPQWZDSMIAYNJ-UHFFFAOYSA-N 1 2 316.180 2.812 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000120123988 195100463 /nfs/dbraw/zinc/10/04/63/195100463.db2.gz OEFAYJUDDCNCGW-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCCCCNc1cccc[nH+]1)OCC ZINC000270079644 208135301 /nfs/dbraw/zinc/13/53/01/208135301.db2.gz UVVKIHCWUPXADE-HNNXBMFYSA-N 1 2 305.422 2.761 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)OCC ZINC000270080778 208140242 /nfs/dbraw/zinc/14/02/42/208140242.db2.gz ZXPZWRPDJGQHQO-INIZCTEOSA-N 1 2 317.433 2.669 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cn2cc(C)ccc2[nH+]1)OCC ZINC000270133615 208193331 /nfs/dbraw/zinc/19/33/31/208193331.db2.gz YIKXQEXJRBSSMS-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#CCC1C[NH+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000602706980 399531586 /nfs/dbraw/zinc/53/15/86/399531586.db2.gz INBQWLIGKBYBOJ-UHFFFAOYSA-N 1 2 306.163 2.936 20 30 DFEDLO C[C@@H](CCC#N)C[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000602712547 399534011 /nfs/dbraw/zinc/53/40/11/399534011.db2.gz UTABMTLJCOZBOD-GOEBONIOSA-N 1 2 317.433 2.864 20 30 DFEDLO N#Cc1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000270296781 208372107 /nfs/dbraw/zinc/37/21/07/208372107.db2.gz AHJNZIFJLCTYAL-UHFFFAOYSA-N 1 2 308.385 2.526 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[nH]1 ZINC000120223107 195121911 /nfs/dbraw/zinc/12/19/11/195121911.db2.gz SKZSANOTIRKXIL-UHFFFAOYSA-N 1 2 311.732 2.978 20 30 DFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120233752 195124185 /nfs/dbraw/zinc/12/41/85/195124185.db2.gz QFOQKYYXNZLTNI-UKRRQHHQSA-N 1 2 324.384 2.802 20 30 DFEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120233601 195124660 /nfs/dbraw/zinc/12/46/60/195124660.db2.gz QFOQKYYXNZLTNI-DZGCQCFKSA-N 1 2 324.384 2.802 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000288335091 335051795 /nfs/dbraw/zinc/05/17/95/335051795.db2.gz UOAJKSCTHIINFO-UHFFFAOYSA-N 1 2 323.440 2.588 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612157821 399594116 /nfs/dbraw/zinc/59/41/16/399594116.db2.gz DSMICLGMPCYQSN-GPMSIDNRSA-N 1 2 313.445 2.920 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612157821 399594122 /nfs/dbraw/zinc/59/41/22/399594122.db2.gz DSMICLGMPCYQSN-GPMSIDNRSA-N 1 2 313.445 2.920 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165383 399596826 /nfs/dbraw/zinc/59/68/26/399596826.db2.gz KUQDFMHTHZZYIM-LJQANCHMSA-N 1 2 313.445 2.833 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165383 399596832 /nfs/dbraw/zinc/59/68/32/399596832.db2.gz KUQDFMHTHZZYIM-LJQANCHMSA-N 1 2 313.445 2.833 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163082 399595822 /nfs/dbraw/zinc/59/58/22/399595822.db2.gz NXJCAPCQCOJNTG-SUMWQHHRSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163082 399595823 /nfs/dbraw/zinc/59/58/23/399595823.db2.gz NXJCAPCQCOJNTG-SUMWQHHRSA-N 1 2 317.458 2.647 20 30 DFEDLO COc1cccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1Cl ZINC000602851467 399602595 /nfs/dbraw/zinc/60/25/95/399602595.db2.gz WMWWHVPOSARJLX-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO COc1cccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1Cl ZINC000602851467 399602599 /nfs/dbraw/zinc/60/25/99/399602599.db2.gz WMWWHVPOSARJLX-BETUJISGSA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H](C)N1CC#N ZINC000602856622 399605167 /nfs/dbraw/zinc/60/51/67/399605167.db2.gz LRJVSOSLHPYAGK-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H](C)N1CC#N ZINC000602856622 399605171 /nfs/dbraw/zinc/60/51/71/399605171.db2.gz LRJVSOSLHPYAGK-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1OC1CCCC1 ZINC000602860143 399606596 /nfs/dbraw/zinc/60/65/96/399606596.db2.gz BNGBQTHOLMQQLY-AWEZNQCLSA-N 1 2 315.417 2.516 20 30 DFEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)CC#N)ccc1Cl ZINC000602861363 399607270 /nfs/dbraw/zinc/60/72/70/399607270.db2.gz HKPMUXLZEPUEQQ-CYBMUJFWSA-N 1 2 318.808 2.787 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000602865233 399607368 /nfs/dbraw/zinc/60/73/68/399607368.db2.gz VEFFPSDQUPGCMR-STQMWFEESA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000602862912 399607803 /nfs/dbraw/zinc/60/78/03/399607803.db2.gz KWJKQFXZXWFOLW-VIFPVBQESA-N 1 2 321.229 2.659 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000602865232 399607888 /nfs/dbraw/zinc/60/78/88/399607888.db2.gz VEFFPSDQUPGCMR-QWHCGFSZSA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000602866130 399609023 /nfs/dbraw/zinc/60/90/23/399609023.db2.gz YPFFMMVTDRFSDZ-QWRGUYRKSA-N 1 2 324.222 2.518 20 30 DFEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602868175 399609119 /nfs/dbraw/zinc/60/91/19/399609119.db2.gz HRYYJQYSMSYWFL-CHWSQXEVSA-N 1 2 316.430 2.769 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000052034639 542445534 /nfs/dbraw/zinc/44/55/34/542445534.db2.gz UDMHDJFDLFQOLN-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO C[C@H](CNc1ncc(Br)cc1C#N)Cn1cc[nH+]c1 ZINC000294776316 224214107 /nfs/dbraw/zinc/21/41/07/224214107.db2.gz ADAZZVFYRMGCHZ-SNVBAGLBSA-N 1 2 320.194 2.660 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000602868555 399610235 /nfs/dbraw/zinc/61/02/35/399610235.db2.gz CVRJWNCJKVWVTG-NOZJJQNGSA-N 1 2 322.206 2.594 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)C(C)(C)C ZINC000288678560 335054490 /nfs/dbraw/zinc/05/44/90/335054490.db2.gz UDLFTCCFYDUOPH-OAHLLOKOSA-N 1 2 318.465 2.915 20 30 DFEDLO Cn1cc(Cl)c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602906675 399622358 /nfs/dbraw/zinc/62/23/58/399622358.db2.gz MEUCHWWVBUUBIQ-UHFFFAOYSA-N 1 2 315.808 2.720 20 30 DFEDLO CCCc1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602912672 399624386 /nfs/dbraw/zinc/62/43/86/399624386.db2.gz PHVYZTPVXWFGHR-UHFFFAOYSA-N 1 2 311.389 2.668 20 30 DFEDLO CSC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000602922250 399628320 /nfs/dbraw/zinc/62/83/20/399628320.db2.gz FCPOAOYFZMQLBB-ZDUSSCGKSA-N 1 2 321.471 2.552 20 30 DFEDLO COc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1C#N ZINC000289981707 221358158 /nfs/dbraw/zinc/35/81/58/221358158.db2.gz ZUEZPNCXQPQHSL-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1C#N ZINC000289981707 221358160 /nfs/dbraw/zinc/35/81/60/221358160.db2.gz ZUEZPNCXQPQHSL-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000289055593 335059712 /nfs/dbraw/zinc/05/97/12/335059712.db2.gz NAQHOICDHUVTCS-IUODEOHRSA-N 1 2 323.356 2.766 20 30 DFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CC(CC#N)C3)ccc21 ZINC000603020225 399659808 /nfs/dbraw/zinc/65/98/08/399659808.db2.gz DIWHAILQNVIEHL-UHFFFAOYSA-N 1 2 309.373 2.678 20 30 DFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC(C)(C)C#N)ccc21 ZINC000603024003 399660470 /nfs/dbraw/zinc/66/04/70/399660470.db2.gz ZNIHYJJYKPATHN-UHFFFAOYSA-N 1 2 311.389 2.972 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000603069977 399670874 /nfs/dbraw/zinc/67/08/74/399670874.db2.gz AAXHCYIOXNTLGO-LBPRGKRZSA-N 1 2 313.336 2.593 20 30 DFEDLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602973966 399643417 /nfs/dbraw/zinc/64/34/17/399643417.db2.gz ICZOMPRUMJFZGU-ZBFHGGJFSA-N 1 2 319.836 2.623 20 30 DFEDLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602973966 399643422 /nfs/dbraw/zinc/64/34/22/399643422.db2.gz ICZOMPRUMJFZGU-ZBFHGGJFSA-N 1 2 319.836 2.623 20 30 DFEDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977384 399645606 /nfs/dbraw/zinc/64/56/06/399645606.db2.gz AKVQYLLWKTZQJH-UKRRQHHQSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977384 399645609 /nfs/dbraw/zinc/64/56/09/399645609.db2.gz AKVQYLLWKTZQJH-UKRRQHHQSA-N 1 2 305.809 2.580 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978609 399646483 /nfs/dbraw/zinc/64/64/83/399646483.db2.gz SZUJNUYVSQUYMG-RYQLBKOJSA-N 1 2 313.445 2.666 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978609 399646487 /nfs/dbraw/zinc/64/64/87/399646487.db2.gz SZUJNUYVSQUYMG-RYQLBKOJSA-N 1 2 313.445 2.666 20 30 DFEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602978780 399646977 /nfs/dbraw/zinc/64/69/77/399646977.db2.gz WJDBZRDRSQKRNL-WBVHZDCISA-N 1 2 311.429 2.806 20 30 DFEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602978780 399646985 /nfs/dbraw/zinc/64/69/85/399646985.db2.gz WJDBZRDRSQKRNL-WBVHZDCISA-N 1 2 311.429 2.806 20 30 DFEDLO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602981285 399647594 /nfs/dbraw/zinc/64/75/94/399647594.db2.gz AWJLTRAKYUEIDR-GDBMZVCRSA-N 1 2 308.385 2.973 20 30 DFEDLO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602981285 399647597 /nfs/dbraw/zinc/64/75/97/399647597.db2.gz AWJLTRAKYUEIDR-GDBMZVCRSA-N 1 2 308.385 2.973 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)ccn1 ZINC000612539356 399672943 /nfs/dbraw/zinc/67/29/43/399672943.db2.gz AUDZRBMKFCWTHS-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)ccn1 ZINC000612539356 399672946 /nfs/dbraw/zinc/67/29/46/399672946.db2.gz AUDZRBMKFCWTHS-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO COC(=O)C12CCC(CC1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000602985060 399649843 /nfs/dbraw/zinc/64/98/43/399649843.db2.gz JHVJDZGWZMGNPX-UHFFFAOYSA-N 1 2 303.789 2.862 20 30 DFEDLO COC(=O)C12CCC(CC1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000602985060 399649846 /nfs/dbraw/zinc/64/98/46/399649846.db2.gz JHVJDZGWZMGNPX-UHFFFAOYSA-N 1 2 303.789 2.862 20 30 DFEDLO N#Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000612596324 399685297 /nfs/dbraw/zinc/68/52/97/399685297.db2.gz SSGPKPSADGVDMZ-UHFFFAOYSA-N 1 2 313.744 2.510 20 30 DFEDLO COc1cc[nH+]cc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603253053 399724062 /nfs/dbraw/zinc/72/40/62/399724062.db2.gz UEOQECREVGSMAR-UHFFFAOYSA-N 1 2 311.389 2.747 20 30 DFEDLO CC[C@@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000612799477 399726794 /nfs/dbraw/zinc/72/67/94/399726794.db2.gz CMKIFMSOGPFKCU-VIFPVBQESA-N 1 2 312.299 2.883 20 30 DFEDLO Cc1nc(NC2CCC(Oc3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000121600269 195313096 /nfs/dbraw/zinc/31/30/96/195313096.db2.gz RXGPOANDBRLHFK-UHFFFAOYSA-N 1 2 309.373 2.854 20 30 DFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc[nH+]cc1C ZINC000121642579 195322425 /nfs/dbraw/zinc/32/24/25/195322425.db2.gz JZJZIAXQWGVESG-UHFFFAOYSA-N 1 2 324.384 2.942 20 30 DFEDLO COCc1cc(C#N)ccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000603313518 399741354 /nfs/dbraw/zinc/74/13/54/399741354.db2.gz VIXMIWIKTFEGQG-KBXCAEBGSA-N 1 2 310.401 2.989 20 30 DFEDLO N#CC1(CCn2cc[nH+]c2CN2CCOCC2)CCCCC1 ZINC000603420558 399772089 /nfs/dbraw/zinc/77/20/89/399772089.db2.gz NPBXLDXEQKACPD-UHFFFAOYSA-N 1 2 302.422 2.579 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000632885392 399780409 /nfs/dbraw/zinc/78/04/09/399780409.db2.gz VPQAJSUMFQVTSW-UHFFFAOYSA-N 1 2 304.438 2.939 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617725005 399784514 /nfs/dbraw/zinc/78/45/14/399784514.db2.gz FUIBUTNBHCHLGT-BQFCYCMXSA-N 1 2 316.445 2.572 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617725005 399784519 /nfs/dbraw/zinc/78/45/19/399784519.db2.gz FUIBUTNBHCHLGT-BQFCYCMXSA-N 1 2 316.445 2.572 20 30 DFEDLO Cc1csc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000604552251 399854473 /nfs/dbraw/zinc/85/44/73/399854473.db2.gz XHMFGYMYQQSSFP-CZUORRHYSA-N 1 2 320.462 2.643 20 30 DFEDLO Cc1csc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000604552251 399854479 /nfs/dbraw/zinc/85/44/79/399854479.db2.gz XHMFGYMYQQSSFP-CZUORRHYSA-N 1 2 320.462 2.643 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1c1ccccc1 ZINC000604558460 399856629 /nfs/dbraw/zinc/85/66/29/399856629.db2.gz FIMYFEVLBLRTHW-HIFRSBDPSA-N 1 2 304.357 2.708 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1cc2ccccc2[nH]1 ZINC000604559751 399856509 /nfs/dbraw/zinc/85/65/09/399856509.db2.gz PSZGVGPRIUVTDZ-UHFFFAOYSA-N 1 2 317.356 2.833 20 30 DFEDLO N#CCCn1ncc2c1ncnc2Sc1[nH+]cc2ccccn21 ZINC000604558008 399856524 /nfs/dbraw/zinc/85/65/24/399856524.db2.gz FVDRGDWHNLVSPA-UHFFFAOYSA-N 1 2 321.369 2.539 20 30 DFEDLO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(C#N)o3)n2)cc1 ZINC000174350990 145376672 /nfs/dbraw/zinc/37/66/72/145376672.db2.gz PGBDJHMIPZVTMV-UHFFFAOYSA-N 1 2 308.341 2.635 20 30 DFEDLO C=C1CC(C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000630819728 399935018 /nfs/dbraw/zinc/93/50/18/399935018.db2.gz CLQRNUWSDVUPAO-UHFFFAOYSA-N 1 2 313.445 2.729 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccsc2)O1 ZINC000248809544 146171367 /nfs/dbraw/zinc/17/13/67/146171367.db2.gz CHTHITVNISATJT-WBMJQRKESA-N 1 2 301.415 2.920 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccsc2)O1 ZINC000248809544 146171370 /nfs/dbraw/zinc/17/13/70/146171370.db2.gz CHTHITVNISATJT-WBMJQRKESA-N 1 2 301.415 2.920 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ncc(C#N)cc1C ZINC000556827420 543444183 /nfs/dbraw/zinc/44/41/83/543444183.db2.gz PRHWFNOKOXFHJH-OAHLLOKOSA-N 1 2 323.400 2.846 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cccnc1C#N ZINC000357541348 148029667 /nfs/dbraw/zinc/02/96/67/148029667.db2.gz YDGJLMFNCRIWMM-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357695365 148087982 /nfs/dbraw/zinc/08/79/82/148087982.db2.gz YHDDHDBLZLABGK-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cncc(F)c1 ZINC000361135331 149036486 /nfs/dbraw/zinc/03/64/86/149036486.db2.gz LUZJUFAYHUOQKQ-NSHDSACASA-N 1 2 323.331 2.993 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000361688497 149192825 /nfs/dbraw/zinc/19/28/25/149192825.db2.gz AWGHYICXUZKTQL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000361688497 149192826 /nfs/dbraw/zinc/19/28/26/149192826.db2.gz AWGHYICXUZKTQL-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000361697508 149195285 /nfs/dbraw/zinc/19/52/85/149195285.db2.gz YJVBALYHFNHPLG-WAVCKPEOSA-N 1 2 306.369 2.669 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000362893578 149391219 /nfs/dbraw/zinc/39/12/19/149391219.db2.gz RFZWGHFFTBVTJH-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000362893665 149391585 /nfs/dbraw/zinc/39/15/85/149391585.db2.gz SODBHLQWFDBVOZ-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO Cc1cc([C@@H]2CCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000371393158 150037247 /nfs/dbraw/zinc/03/72/47/150037247.db2.gz YSKOAKUFUXJCPI-INIZCTEOSA-N 1 2 307.357 2.840 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cccc(C#N)c2)c1 ZINC000371386898 150037436 /nfs/dbraw/zinc/03/74/36/150037436.db2.gz FUXVJWXCVKBIHC-UHFFFAOYSA-N 1 2 316.364 2.889 20 30 DFEDLO CCc1nnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c1CC ZINC000371929276 150114303 /nfs/dbraw/zinc/11/43/03/150114303.db2.gz XIHWFDOXQLYIIB-UHFFFAOYSA-N 1 2 310.405 2.580 20 30 DFEDLO CCc1nnc(N2CCC(c3c[nH+]c[nH]3)CC2)c(C#N)c1CC ZINC000371929276 150114306 /nfs/dbraw/zinc/11/43/06/150114306.db2.gz XIHWFDOXQLYIIB-UHFFFAOYSA-N 1 2 310.405 2.580 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c(Br)c1 ZINC000374369737 150354179 /nfs/dbraw/zinc/35/41/79/150354179.db2.gz AAMGHHVFHNKDBZ-DZGCQCFKSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c(Br)c1 ZINC000374369737 150354183 /nfs/dbraw/zinc/35/41/83/150354183.db2.gz AAMGHHVFHNKDBZ-DZGCQCFKSA-N 1 2 321.218 2.932 20 30 DFEDLO CCCCOC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374390406 150358502 /nfs/dbraw/zinc/35/85/02/150358502.db2.gz WEIWJNCCJVOCSA-KRWDZBQOSA-N 1 2 316.401 2.665 20 30 DFEDLO CCCCOC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374390406 150358505 /nfs/dbraw/zinc/35/85/05/150358505.db2.gz WEIWJNCCJVOCSA-KRWDZBQOSA-N 1 2 316.401 2.665 20 30 DFEDLO N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)o2)cc1 ZINC000375006987 150382868 /nfs/dbraw/zinc/38/28/68/150382868.db2.gz ZPDXXHOKESLSSB-CQSZACIVSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)o2)cc1 ZINC000247688673 158148998 /nfs/dbraw/zinc/14/89/98/158148998.db2.gz VOISHPSJGIEEQR-CVEARBPZSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)o2)cc1 ZINC000247688673 158149002 /nfs/dbraw/zinc/14/90/02/158149002.db2.gz VOISHPSJGIEEQR-CVEARBPZSA-N 1 2 324.384 2.752 20 30 DFEDLO COc1cc(Br)c(C[NH2+]C[C@H](C)C#N)cc1OC ZINC000054180919 425889575 /nfs/dbraw/zinc/88/95/75/425889575.db2.gz NUNYVVVMTDAJQL-SECBINFHSA-N 1 2 313.195 2.716 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000670098628 544022285 /nfs/dbraw/zinc/02/22/85/544022285.db2.gz CBTVUTKTWLMTFG-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000670098628 544022287 /nfs/dbraw/zinc/02/22/87/544022287.db2.gz CBTVUTKTWLMTFG-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000671490218 544080514 /nfs/dbraw/zinc/08/05/14/544080514.db2.gz MJGOVQJTITVGII-INIZCTEOSA-N 1 2 317.433 2.555 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184747252 335084498 /nfs/dbraw/zinc/08/44/98/335084498.db2.gz SPLQJJDJUCZBAO-GJZGRUSLSA-N 1 2 308.422 2.678 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000297579446 227326864 /nfs/dbraw/zinc/32/68/64/227326864.db2.gz XLCIRXGJCCJSKM-AWEZNQCLSA-N 1 2 309.373 2.907 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000297579450 227326941 /nfs/dbraw/zinc/32/69/41/227326941.db2.gz XLCIRXGJCCJSKM-CQSZACIVSA-N 1 2 309.373 2.907 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000675927059 544345101 /nfs/dbraw/zinc/34/51/01/544345101.db2.gz KRQUJSJVWHRNTO-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000677047984 544425474 /nfs/dbraw/zinc/42/54/74/544425474.db2.gz MMXMFQPRVGSSMO-OAHLLOKOSA-N 1 2 309.413 2.728 20 30 DFEDLO COCC#CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000677478425 544495151 /nfs/dbraw/zinc/49/51/51/544495151.db2.gz XXEKWYGLJMDRSP-UHFFFAOYSA-N 1 2 300.171 2.670 20 30 DFEDLO COCC#CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000677478425 544495155 /nfs/dbraw/zinc/49/51/55/544495155.db2.gz XXEKWYGLJMDRSP-UHFFFAOYSA-N 1 2 300.171 2.670 20 30 DFEDLO COCC#CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000677818937 544545793 /nfs/dbraw/zinc/54/57/93/544545793.db2.gz YQOCWOFCFGJPTC-NXEZZACHSA-N 1 2 303.246 2.699 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000678205377 544619585 /nfs/dbraw/zinc/61/95/85/544619585.db2.gz ZMUUEUJPLDLXMK-INIZCTEOSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000678205377 544619589 /nfs/dbraw/zinc/61/95/89/544619589.db2.gz ZMUUEUJPLDLXMK-INIZCTEOSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3nnc(NC)cc3C2)cc1 ZINC000678242106 544629067 /nfs/dbraw/zinc/62/90/67/544629067.db2.gz XCAXRSPCJOBEHU-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3nnc(NC)cc3C2)cc1 ZINC000678242106 544629068 /nfs/dbraw/zinc/62/90/68/544629068.db2.gz XCAXRSPCJOBEHU-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678833439 544732117 /nfs/dbraw/zinc/73/21/17/544732117.db2.gz ARRGYUHIMPRVSJ-INIZCTEOSA-N 1 2 305.422 2.810 20 30 DFEDLO N#Cc1cc2c(nc1N1CC[C@H](CNc3cccc[nH+]3)C1)CCC2 ZINC000299636958 229288252 /nfs/dbraw/zinc/28/82/52/229288252.db2.gz VAPOBNVTWUIYBY-CQSZACIVSA-N 1 2 319.412 2.775 20 30 DFEDLO N#Cc1c(F)cccc1NCc1ccc(C[NH+]2CCOCC2)o1 ZINC000302148699 230125421 /nfs/dbraw/zinc/12/54/21/230125421.db2.gz 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N#Cc1ccc2[nH+]cc(CN3CC4CC3(C(F)(F)F)C4)n2c1 ZINC000459768967 270001933 /nfs/dbraw/zinc/00/19/33/270001933.db2.gz LVNVWQDWPYUXDV-UHFFFAOYSA-N 1 2 306.291 2.733 20 30 DFEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000157222799 425937170 /nfs/dbraw/zinc/93/71/70/425937170.db2.gz HZTQHLJSEVDABK-CQSZACIVSA-N 1 2 310.319 2.592 20 30 DFEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000157222799 425937171 /nfs/dbraw/zinc/93/71/71/425937171.db2.gz HZTQHLJSEVDABK-CQSZACIVSA-N 1 2 310.319 2.592 20 30 DFEDLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157252312 425937807 /nfs/dbraw/zinc/93/78/07/425937807.db2.gz PAPZIVQQGCALRO-LBPRGKRZSA-N 1 2 307.419 2.534 20 30 DFEDLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157252312 425937804 /nfs/dbraw/zinc/93/78/04/425937804.db2.gz PAPZIVQQGCALRO-LBPRGKRZSA-N 1 2 307.419 2.534 20 30 DFEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000352766579 266110413 /nfs/dbraw/zinc/11/04/13/266110413.db2.gz 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/nfs/dbraw/zinc/18/58/55/267185855.db2.gz BJOIUOPSTXDFCL-JTQLQIEISA-N 1 2 301.371 2.637 20 30 DFEDLO CC[C@H](F)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000440781760 267215587 /nfs/dbraw/zinc/21/55/87/267215587.db2.gz IUZCDTOFFTWTCU-LBPRGKRZSA-N 1 2 318.352 2.676 20 30 DFEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1ccc(C#N)cc1Cl ZINC000352009217 267250250 /nfs/dbraw/zinc/25/02/50/267250250.db2.gz TXECMZFESYXPDB-GUYCJALGSA-N 1 2 319.836 2.507 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000493000766 267256289 /nfs/dbraw/zinc/25/62/89/267256289.db2.gz ZWAMVDLROOCUSW-KBOKABMXSA-N 1 2 320.396 2.982 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000492495705 267256464 /nfs/dbraw/zinc/25/64/64/267256464.db2.gz YHQPYMAAUVLZET-VOTSOKGWSA-N 1 2 311.389 2.983 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000338121926 267276083 /nfs/dbraw/zinc/27/60/83/267276083.db2.gz VRMCDPPDUUWLPI-UHFFFAOYSA-N 1 2 322.412 2.922 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC000444711282 267298589 /nfs/dbraw/zinc/29/85/89/267298589.db2.gz UKRYIDFALUZOMK-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC000444711282 267298591 /nfs/dbraw/zinc/29/85/91/267298591.db2.gz UKRYIDFALUZOMK-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc(C#N)n1 ZINC000341474642 267301218 /nfs/dbraw/zinc/30/12/18/267301218.db2.gz RPSAIEMJBTXKOF-QGZVFWFLSA-N 1 2 321.359 2.758 20 30 DFEDLO Cc1cc(C#N)nc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)n1 ZINC000341461028 267318158 /nfs/dbraw/zinc/31/81/58/267318158.db2.gz GMZNWQTYDGEGFM-HNNXBMFYSA-N 1 2 322.347 2.731 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439458112 267367161 /nfs/dbraw/zinc/36/71/61/267367161.db2.gz DHTLCCHSLDAUQH-CYBMUJFWSA-N 1 2 324.833 2.692 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439458112 267367163 /nfs/dbraw/zinc/36/71/63/267367163.db2.gz DHTLCCHSLDAUQH-CYBMUJFWSA-N 1 2 324.833 2.692 20 30 DFEDLO NC(=[NH+]OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000005295610 425622819 /nfs/dbraw/zinc/62/28/19/425622819.db2.gz ZLKPEKQAQCVWQX-UHFFFAOYSA-N 1 2 303.749 2.616 20 30 DFEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc(N)c2ccccc2n1 ZINC000026328582 425810282 /nfs/dbraw/zinc/81/02/82/425810282.db2.gz HHBYIIHQJIQJOQ-UHFFFAOYSA-N 1 2 303.369 2.716 20 30 DFEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc(N)c2ccccc2n1 ZINC000026328582 425810285 /nfs/dbraw/zinc/81/02/85/425810285.db2.gz HHBYIIHQJIQJOQ-UHFFFAOYSA-N 1 2 303.369 2.716 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccco2)c(C#N)c1C ZINC000030276859 425830789 /nfs/dbraw/zinc/83/07/89/425830789.db2.gz SHEFUJWHKQVSPA-NSHDSACASA-N 1 2 301.346 2.820 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccco2)c(C#N)c1C ZINC000030276859 425830791 /nfs/dbraw/zinc/83/07/91/425830791.db2.gz SHEFUJWHKQVSPA-NSHDSACASA-N 1 2 301.346 2.820 20 30 DFEDLO C#CC[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000032514285 425838923 /nfs/dbraw/zinc/83/89/23/425838923.db2.gz QQDFWVQPJUCPKN-GOSISDBHSA-N 1 2 308.381 2.906 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944209 425867249 /nfs/dbraw/zinc/86/72/49/425867249.db2.gz MCAFAXCABRGMTG-UHFFFAOYSA-N 1 2 323.400 2.597 20 30 DFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)nc2)cc1 ZINC000531172077 268044289 /nfs/dbraw/zinc/04/42/89/268044289.db2.gz YEHHNHGGHMYSJF-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncncc4C#N)C3)[nH+]c2c1 ZINC000519773255 268049055 /nfs/dbraw/zinc/04/90/55/268049055.db2.gz ANABIBUVXFHFGR-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000174265644 268103576 /nfs/dbraw/zinc/10/35/76/268103576.db2.gz LKQSTQNHLZSXHL-GOSISDBHSA-N 1 2 323.371 2.807 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC(C)=C[C@H](C)C2)c(C#N)c1C ZINC000430286099 268104962 /nfs/dbraw/zinc/10/49/62/268104962.db2.gz WMVNCMSTXRAIEN-GWCFXTLKSA-N 1 2 301.390 2.993 20 30 DFEDLO 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2.586 20 30 DFEDLO CCOC(=O)CCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000267389124 426880164 /nfs/dbraw/zinc/88/01/64/426880164.db2.gz HDUICDYLRMEGIE-UHFFFAOYSA-N 1 2 303.406 2.921 20 30 DFEDLO CCOC(=O)CCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000267389124 426880171 /nfs/dbraw/zinc/88/01/71/426880171.db2.gz HDUICDYLRMEGIE-UHFFFAOYSA-N 1 2 303.406 2.921 20 30 DFEDLO C[C@]1(F)CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295258987 426880301 /nfs/dbraw/zinc/88/03/01/426880301.db2.gz BPJPWFSBIYGCSS-HNNXBMFYSA-N 1 2 309.772 2.974 20 30 DFEDLO C[C@]1(F)CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295258987 426880303 /nfs/dbraw/zinc/88/03/03/426880303.db2.gz BPJPWFSBIYGCSS-HNNXBMFYSA-N 1 2 309.772 2.974 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1Cl ZINC000275756309 426912775 /nfs/dbraw/zinc/91/27/75/426912775.db2.gz DWWBEIDFQZILKX-NSHDSACASA-N 1 2 306.797 2.884 20 30 DFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000295426844 426953516 /nfs/dbraw/zinc/95/35/16/426953516.db2.gz CTTHPPVBDSKGKD-HNNXBMFYSA-N 1 2 321.808 2.874 20 30 DFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000295426844 426953518 /nfs/dbraw/zinc/95/35/18/426953518.db2.gz CTTHPPVBDSKGKD-HNNXBMFYSA-N 1 2 321.808 2.874 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)OC)cc1OC ZINC000189991715 426994124 /nfs/dbraw/zinc/99/41/24/426994124.db2.gz KPQRQYFQEMZOMF-GOSISDBHSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)cc1OC ZINC000189991715 426994130 /nfs/dbraw/zinc/99/41/30/426994130.db2.gz KPQRQYFQEMZOMF-GOSISDBHSA-N 1 2 319.401 2.788 20 30 DFEDLO C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268238846 426962387 /nfs/dbraw/zinc/96/23/87/426962387.db2.gz HABILQMRXKIXBG-BLLLJJGKSA-N 1 2 311.345 2.750 20 30 DFEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)ccc1F ZINC000283161986 426966047 /nfs/dbraw/zinc/96/60/47/426966047.db2.gz YIJATKNBRSWGLU-UHFFFAOYSA-N 1 2 315.348 2.621 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000189878071 426970534 /nfs/dbraw/zinc/97/05/34/426970534.db2.gz VZZYMFPNQQPTHR-IBGZPJMESA-N 1 2 316.445 2.812 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000268269143 426972983 /nfs/dbraw/zinc/97/29/83/426972983.db2.gz BSXMKNONDNMTAU-JQWIXIFHSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000268269143 426972989 /nfs/dbraw/zinc/97/29/89/426972989.db2.gz BSXMKNONDNMTAU-JQWIXIFHSA-N 1 2 317.216 2.967 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)s1 ZINC000189917150 426980284 /nfs/dbraw/zinc/98/02/84/426980284.db2.gz ARDKYJFYOHBMBC-UHFFFAOYSA-N 1 2 313.430 2.542 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccn1 ZINC000181807077 426983299 /nfs/dbraw/zinc/98/32/99/426983299.db2.gz LSZQDLXPTBZXQF-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276105907 426984983 /nfs/dbraw/zinc/98/49/83/426984983.db2.gz JTXBWTRTSGCKLM-GOSISDBHSA-N 1 2 302.418 2.639 20 30 DFEDLO [O-]C(NC[C@@H]1CCCC(F)(F)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328632028 426985480 /nfs/dbraw/zinc/98/54/80/426985480.db2.gz ABQMZUUPDHLYCU-NEPJUHHUSA-N 1 2 312.364 2.527 20 30 DFEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCC(F)(F)C1 ZINC000328632028 426985487 /nfs/dbraw/zinc/98/54/87/426985487.db2.gz ABQMZUUPDHLYCU-NEPJUHHUSA-N 1 2 312.364 2.527 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 ZINC000328697180 426988733 /nfs/dbraw/zinc/98/87/33/426988733.db2.gz UOLUYWKIYPAKLQ-NEPJUHHUSA-N 1 2 318.421 2.818 20 30 DFEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc3ccsc32)C1 ZINC000328694927 426988781 /nfs/dbraw/zinc/98/87/81/426988781.db2.gz CZHZQQUZNWYCEG-GFCCVEGCSA-N 1 2 305.403 2.558 20 30 DFEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc3ccsc32)C1 ZINC000328694927 426988790 /nfs/dbraw/zinc/98/87/90/426988790.db2.gz CZHZQQUZNWYCEG-GFCCVEGCSA-N 1 2 305.403 2.558 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1ccccn1)CCC2 ZINC000328727691 426990698 /nfs/dbraw/zinc/99/06/98/426990698.db2.gz VESOEUBDPYIZRW-KGLIPLIRSA-N 1 2 313.405 2.729 20 30 DFEDLO O=C(N[C@H](CO)CC1CCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000328706764 426990960 /nfs/dbraw/zinc/99/09/60/426990960.db2.gz ZFLGGLQGTSUCBM-RDJZCZTQSA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(N[C@H](CO)CC1CCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000328706764 426990965 /nfs/dbraw/zinc/99/09/65/426990965.db2.gz ZFLGGLQGTSUCBM-RDJZCZTQSA-N 1 2 324.465 2.528 20 30 DFEDLO N#Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000337695742 426926824 /nfs/dbraw/zinc/92/68/24/426926824.db2.gz AXCUELPTULXDTO-UHFFFAOYSA-N 1 2 324.262 2.682 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296038347 427055387 /nfs/dbraw/zinc/05/53/87/427055387.db2.gz OACUOBPGNQEGCV-HOTGVXAUSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296038347 427055391 /nfs/dbraw/zinc/05/53/91/427055391.db2.gz OACUOBPGNQEGCV-HOTGVXAUSA-N 1 2 316.401 2.519 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000328959570 427015753 /nfs/dbraw/zinc/01/57/53/427015753.db2.gz QAHKPNDEVOIUFU-ABAIWWIYSA-N 1 2 317.776 2.881 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000328959570 427015761 /nfs/dbraw/zinc/01/57/61/427015761.db2.gz QAHKPNDEVOIUFU-ABAIWWIYSA-N 1 2 317.776 2.881 20 30 DFEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)O1 ZINC000328992486 427022868 /nfs/dbraw/zinc/02/28/68/427022868.db2.gz FTTQFLQGPPGVBU-MYZSUADSSA-N 1 2 321.421 2.658 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000329025958 427027484 /nfs/dbraw/zinc/02/74/84/427027484.db2.gz JQRXTLRCQHXBGW-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000329025958 427027489 /nfs/dbraw/zinc/02/74/89/427027489.db2.gz JQRXTLRCQHXBGW-HUUCEWRRSA-N 1 2 315.417 2.587 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000329025894 427027983 /nfs/dbraw/zinc/02/79/83/427027983.db2.gz NXHLJMLQBQMNKR-QXSJWSMHSA-N 1 2 317.433 2.662 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000329023858 427028764 /nfs/dbraw/zinc/02/87/64/427028764.db2.gz IWTPGRXKKSQXAP-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1C ZINC000329023858 427028770 /nfs/dbraw/zinc/02/87/70/427028770.db2.gz IWTPGRXKKSQXAP-GJZGRUSLSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329065690 427035546 /nfs/dbraw/zinc/03/55/46/427035546.db2.gz WHFFEBVJDLAQPC-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329065690 427035555 /nfs/dbraw/zinc/03/55/55/427035555.db2.gz WHFFEBVJDLAQPC-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C1CCOCC1 ZINC000329100438 427042014 /nfs/dbraw/zinc/04/20/14/427042014.db2.gz ZKUNGEIFCZLODA-BPLDGKMQSA-N 1 2 321.421 2.752 20 30 DFEDLO [O-]C(=[NH+]c1scnc1C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329203848 427062872 /nfs/dbraw/zinc/06/28/72/427062872.db2.gz CVZRMVLFANSASU-GFCCVEGCSA-N 1 2 317.418 2.927 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000337983216 427075746 /nfs/dbraw/zinc/07/57/46/427075746.db2.gz WANMFSUDKYEBMB-UHFFFAOYSA-N 1 2 320.396 2.661 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329280022 427081338 /nfs/dbraw/zinc/08/13/38/427081338.db2.gz LXRRWPHIFNZZNB-OIISXLGYSA-N 1 2 324.465 2.647 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329280022 427081342 /nfs/dbraw/zinc/08/13/42/427081342.db2.gz LXRRWPHIFNZZNB-OIISXLGYSA-N 1 2 324.465 2.647 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000249089676 427085150 /nfs/dbraw/zinc/08/51/50/427085150.db2.gz CVFAEFAVRWMPLC-CRAIPNDOSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000249089676 427085153 /nfs/dbraw/zinc/08/51/53/427085153.db2.gz CVFAEFAVRWMPLC-CRAIPNDOSA-N 1 2 310.401 2.525 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329308775 427088521 /nfs/dbraw/zinc/08/85/21/427088521.db2.gz FINJZBQIJRIKOS-LLVKDONJSA-N 1 2 311.341 2.699 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249192737 427097286 /nfs/dbraw/zinc/09/72/86/427097286.db2.gz APYXSZFJSWSUNU-WFASDCNBSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249192737 427097290 /nfs/dbraw/zinc/09/72/90/427097290.db2.gz APYXSZFJSWSUNU-WFASDCNBSA-N 1 2 320.462 2.597 20 30 DFEDLO Cc1nc(C(C)(C)[NH2+]CCCOc2cccc(C#N)c2)no1 ZINC000268715174 427099411 /nfs/dbraw/zinc/09/94/11/427099411.db2.gz YNNXMTWBJPVMRT-UHFFFAOYSA-N 1 2 300.362 2.544 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cccc2nsnc21 ZINC000268717066 427101041 /nfs/dbraw/zinc/10/10/41/427101041.db2.gz MXAPUUOPEDFQSQ-JTQLQIEISA-N 1 2 308.407 2.541 20 30 DFEDLO CCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292145832 427106093 /nfs/dbraw/zinc/10/60/93/427106093.db2.gz JVELZAYSCDLVPU-CQSZACIVSA-N 1 2 314.414 2.625 20 30 DFEDLO CCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292145832 427106100 /nfs/dbraw/zinc/10/61/00/427106100.db2.gz JVELZAYSCDLVPU-CQSZACIVSA-N 1 2 314.414 2.625 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000182692965 427126633 /nfs/dbraw/zinc/12/66/33/427126633.db2.gz CSLCQBWFJXPLIZ-MRXNPFEDSA-N 1 2 311.389 2.672 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000182692965 427126640 /nfs/dbraw/zinc/12/66/40/427126640.db2.gz CSLCQBWFJXPLIZ-MRXNPFEDSA-N 1 2 311.389 2.672 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3cccc(C#N)c3C)[nH+]c2c1 ZINC000338153729 427159636 /nfs/dbraw/zinc/15/96/36/427159636.db2.gz WMDMIIVGFVSFAR-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330240134 427209323 /nfs/dbraw/zinc/20/93/23/427209323.db2.gz VUYXUTTVPMEGFP-CQSZACIVSA-N 1 2 318.421 2.605 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330240134 427209326 /nfs/dbraw/zinc/20/93/26/427209326.db2.gz VUYXUTTVPMEGFP-CQSZACIVSA-N 1 2 318.421 2.605 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000338266581 427224912 /nfs/dbraw/zinc/22/49/12/427224912.db2.gz PCSWMOSEOYDPSC-KRHNWMDASA-N 1 2 318.417 2.559 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000338266581 427224920 /nfs/dbraw/zinc/22/49/20/427224920.db2.gz PCSWMOSEOYDPSC-KRHNWMDASA-N 1 2 318.417 2.559 20 30 DFEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000277508964 427225141 /nfs/dbraw/zinc/22/51/41/427225141.db2.gz SHOCKMATMYBFLR-UHFFFAOYSA-N 1 2 323.440 2.741 20 30 DFEDLO CC(C)(C[N@H+](CCC#N)CCN1CCOCC1)c1ccccc1 ZINC000183372833 427256922 /nfs/dbraw/zinc/25/69/22/427256922.db2.gz FIKYDUWQHFFMKM-UHFFFAOYSA-N 1 2 315.461 2.512 20 30 DFEDLO CC(C)(C[N@@H+](CCC#N)CCN1CCOCC1)c1ccccc1 ZINC000183372833 427256924 /nfs/dbraw/zinc/25/69/24/427256924.db2.gz FIKYDUWQHFFMKM-UHFFFAOYSA-N 1 2 315.461 2.512 20 30 DFEDLO CC(C)(CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000183372833 427256927 /nfs/dbraw/zinc/25/69/27/427256927.db2.gz FIKYDUWQHFFMKM-UHFFFAOYSA-N 1 2 315.461 2.512 20 30 DFEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000293270555 427267460 /nfs/dbraw/zinc/26/74/60/427267460.db2.gz BZXVDEYVBRVFKA-GFCCVEGCSA-N 1 2 312.373 2.568 20 30 DFEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000293270555 427267467 /nfs/dbraw/zinc/26/74/67/427267467.db2.gz BZXVDEYVBRVFKA-GFCCVEGCSA-N 1 2 312.373 2.568 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000330619698 427275286 /nfs/dbraw/zinc/27/52/86/427275286.db2.gz ZMBJYMXEGDGFPI-KSSFIOAISA-N 1 2 315.417 2.812 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000330619698 427275294 /nfs/dbraw/zinc/27/52/94/427275294.db2.gz ZMBJYMXEGDGFPI-KSSFIOAISA-N 1 2 315.417 2.812 20 30 DFEDLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000330775965 427302168 /nfs/dbraw/zinc/30/21/68/427302168.db2.gz ZGWVFFISCDEMNX-NFAWXSAZSA-N 1 2 304.438 2.976 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330789506 427304614 /nfs/dbraw/zinc/30/46/14/427304614.db2.gz ZRBGDQSTGCOKPN-CQSZACIVSA-N 1 2 315.417 2.956 20 30 DFEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810096 427346311 /nfs/dbraw/zinc/34/63/11/427346311.db2.gz GGXKEVHLBWODFM-GUYCJALGSA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810096 427346317 /nfs/dbraw/zinc/34/63/17/427346317.db2.gz GGXKEVHLBWODFM-GUYCJALGSA-N 1 2 319.836 2.507 20 30 DFEDLO CC[C@]1(C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000331291155 427393033 /nfs/dbraw/zinc/39/30/33/427393033.db2.gz WLHJBALECHJYAP-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO CC[C@]1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000331291155 427393036 /nfs/dbraw/zinc/39/30/36/427393036.db2.gz WLHJBALECHJYAP-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO Cc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)[nH+]1 ZINC000331317078 427398797 /nfs/dbraw/zinc/39/87/97/427398797.db2.gz JNZSJSYRAGFIHK-ZDUSSCGKSA-N 1 2 318.421 2.732 20 30 DFEDLO CC(C)c1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)s1 ZINC000331350496 427401418 /nfs/dbraw/zinc/40/14/18/427401418.db2.gz NVLWMKQJDUQBBI-UHFFFAOYSA-N 1 2 311.451 2.682 20 30 DFEDLO Cc1cc(C)c(NC(=O)N(CCO)[C@H]2CCCSC2)c(C)[nH+]1 ZINC000331352314 427401452 /nfs/dbraw/zinc/40/14/52/427401452.db2.gz ZIIJXYICSISWSI-AWEZNQCLSA-N 1 2 323.462 2.742 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2csc(C)n2)c1 ZINC000270961021 427367697 /nfs/dbraw/zinc/36/76/97/427367697.db2.gz ASNPZWXEMWCWQG-UHFFFAOYSA-N 1 2 313.426 2.546 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2csc(C)n2)c1 ZINC000270961021 427367702 /nfs/dbraw/zinc/36/77/02/427367702.db2.gz ASNPZWXEMWCWQG-UHFFFAOYSA-N 1 2 313.426 2.546 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)c(F)c1 ZINC000192116472 427482526 /nfs/dbraw/zinc/48/25/26/427482526.db2.gz NOOKMLDZQYACCS-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)c(F)c1 ZINC000192116472 427482535 /nfs/dbraw/zinc/48/25/35/427482535.db2.gz NOOKMLDZQYACCS-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO Cc1noc(C)c1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331544152 427439347 /nfs/dbraw/zinc/43/93/47/427439347.db2.gz CUQSBNQWJBNKHO-SFHVURJKSA-N 1 2 311.385 2.779 20 30 DFEDLO Cc1noc(C)c1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331544152 427439356 /nfs/dbraw/zinc/43/93/56/427439356.db2.gz CUQSBNQWJBNKHO-SFHVURJKSA-N 1 2 311.385 2.779 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000298048228 427510737 /nfs/dbraw/zinc/51/07/37/427510737.db2.gz DWZGXGBQYFNTCQ-UHFFFAOYSA-N 1 2 300.431 2.607 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000298048228 427510746 /nfs/dbraw/zinc/51/07/46/427510746.db2.gz DWZGXGBQYFNTCQ-UHFFFAOYSA-N 1 2 300.431 2.607 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298216739 427535902 /nfs/dbraw/zinc/53/59/02/427535902.db2.gz FFRSKPKPYSSICF-DIOULYMOSA-N 1 2 319.355 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298216739 427535907 /nfs/dbraw/zinc/53/59/07/427535907.db2.gz FFRSKPKPYSSICF-DIOULYMOSA-N 1 2 319.355 2.862 20 30 DFEDLO CCc1cc(N)nc(SCc2ccc(C#N)cc2OC)[nH+]1 ZINC000279081327 427553682 /nfs/dbraw/zinc/55/36/82/427553682.db2.gz LWQSJPLFBYQBRU-UHFFFAOYSA-N 1 2 300.387 2.794 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cccc(CC#N)c3)cc2[nH+]1 ZINC000338928806 427562991 /nfs/dbraw/zinc/56/29/91/427562991.db2.gz WNQNCKVCVXUFKY-UHFFFAOYSA-N 1 2 319.368 2.947 20 30 DFEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CO)CC1 ZINC000287269718 427563195 /nfs/dbraw/zinc/56/31/95/427563195.db2.gz LDZVIDIQMFSSLH-UHFFFAOYSA-N 1 2 309.207 2.525 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000279177493 427587554 /nfs/dbraw/zinc/58/75/54/427587554.db2.gz CMLQXVYFELEHOA-UHFFFAOYSA-N 1 2 315.442 2.993 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000279177493 427587559 /nfs/dbraw/zinc/58/75/59/427587559.db2.gz CMLQXVYFELEHOA-UHFFFAOYSA-N 1 2 315.442 2.993 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000263859973 427592274 /nfs/dbraw/zinc/59/22/74/427592274.db2.gz VAWHVXSYEZFHHG-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000185295668 427629940 /nfs/dbraw/zinc/62/99/40/427629940.db2.gz VAWBGYVZYSCSRG-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000185295668 427629948 /nfs/dbraw/zinc/62/99/48/427629948.db2.gz VAWBGYVZYSCSRG-QFIPXVFZSA-N 1 2 320.458 2.560 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cc1F ZINC000264054423 427643040 /nfs/dbraw/zinc/64/30/40/427643040.db2.gz JCHSIQCMCGIOQM-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1F ZINC000264054423 427643045 /nfs/dbraw/zinc/64/30/45/427643045.db2.gz JCHSIQCMCGIOQM-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO CC[C@@H]([NH2+][C@@H](C(=O)OC)c1cccc(C#N)c1)C1CCOCC1 ZINC000343428851 272146030 /nfs/dbraw/zinc/14/60/30/272146030.db2.gz NRITUGQMDWMSDJ-IAGOWNOFSA-N 1 2 316.401 2.567 20 30 DFEDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287704694 427674329 /nfs/dbraw/zinc/67/43/29/427674329.db2.gz JIYMZGHLVFNIPI-GHMZBOCLSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287704694 427674335 /nfs/dbraw/zinc/67/43/35/427674335.db2.gz JIYMZGHLVFNIPI-GHMZBOCLSA-N 1 2 309.207 2.523 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287722334 427678601 /nfs/dbraw/zinc/67/86/01/427678601.db2.gz OAXFKGZVOYGBAG-UHFFFAOYSA-N 1 2 307.344 2.782 20 30 DFEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000185609987 427680974 /nfs/dbraw/zinc/68/09/74/427680974.db2.gz DLCYNXGSFYQYTF-GFCCVEGCSA-N 1 2 318.471 2.955 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339189551 427723760 /nfs/dbraw/zinc/72/37/60/427723760.db2.gz KIOVFPWDWGETBO-OWYVNGRQSA-N 1 2 309.772 2.500 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339189551 427723763 /nfs/dbraw/zinc/72/37/63/427723763.db2.gz KIOVFPWDWGETBO-OWYVNGRQSA-N 1 2 309.772 2.500 20 30 DFEDLO N#Cc1cc(F)c(N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000299324431 427764808 /nfs/dbraw/zinc/76/48/08/427764808.db2.gz DDFDZDVEBSMYGW-UHFFFAOYSA-N 1 2 300.312 2.558 20 30 DFEDLO Cc1cccc(CCNc2ccc(C(F)(F)F)c(C#N)n2)[nH+]1 ZINC000336925566 427776429 /nfs/dbraw/zinc/77/64/29/427776429.db2.gz KZAQSUPFMXGGJQ-UHFFFAOYSA-N 1 2 306.291 3.330 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336980395 427782799 /nfs/dbraw/zinc/78/27/99/427782799.db2.gz SAOPWEGUWWGHNH-KBPBESRZSA-N 1 2 302.422 2.683 20 30 DFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cccc(C#N)n2)cc1 ZINC000339221869 427735951 /nfs/dbraw/zinc/73/59/51/427735951.db2.gz LWSVIXHEZSXKOA-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cccc(C#N)n2)cc1 ZINC000339221868 427736172 /nfs/dbraw/zinc/73/61/72/427736172.db2.gz LWSVIXHEZSXKOA-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339238417 427737089 /nfs/dbraw/zinc/73/70/89/427737089.db2.gz WDFIAOAJWYTIGJ-IAGOWNOFSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339238417 427737092 /nfs/dbraw/zinc/73/70/92/427737092.db2.gz WDFIAOAJWYTIGJ-IAGOWNOFSA-N 1 2 315.417 2.581 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(C#N)cc1 ZINC000339540254 427790209 /nfs/dbraw/zinc/79/02/09/427790209.db2.gz OVIFXANGCJJASJ-CZUORRHYSA-N 1 2 323.400 2.552 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000339262388 427744556 /nfs/dbraw/zinc/74/45/56/427744556.db2.gz ADJIYLPQWMFVAA-UHFFFAOYSA-N 1 2 303.325 2.606 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CCO ZINC000336793397 427752383 /nfs/dbraw/zinc/75/23/83/427752383.db2.gz WOGNDZPOOAGXCM-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000336793397 427752385 /nfs/dbraw/zinc/75/23/85/427752385.db2.gz WOGNDZPOOAGXCM-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(Cl)cccc3C#N)CC2)S1 ZINC000301511423 427801276 /nfs/dbraw/zinc/80/12/76/427801276.db2.gz FFILVJGQXZOHDY-LLVKDONJSA-N 1 2 320.849 2.825 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc(C)cs2)C1=O ZINC000337121442 427801633 /nfs/dbraw/zinc/80/16/33/427801633.db2.gz AJWRWLATNIVTAO-ZIAGYGMSSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc(C)cs2)C1=O ZINC000337121442 427801635 /nfs/dbraw/zinc/80/16/35/427801635.db2.gz AJWRWLATNIVTAO-ZIAGYGMSSA-N 1 2 305.447 2.765 20 30 DFEDLO CCc1nnc(NCc2cc[nH+]c(N(C)C)c2)c(C#N)c1CC ZINC000301612714 427810017 /nfs/dbraw/zinc/81/00/17/427810017.db2.gz GHLFCIYFPPCMCI-UHFFFAOYSA-N 1 2 310.405 2.546 20 30 DFEDLO COC(=O)c1ccc(CN(C)c2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301646330 427812003 /nfs/dbraw/zinc/81/20/03/427812003.db2.gz CZUVMOBRPMKWRK-UHFFFAOYSA-N 1 2 309.369 2.993 20 30 DFEDLO N#Cc1ccnc(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301653130 427812385 /nfs/dbraw/zinc/81/23/85/427812385.db2.gz QWFYEOVFIIMKNH-UHFFFAOYSA-N 1 2 322.328 2.782 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000337190113 427812407 /nfs/dbraw/zinc/81/24/07/427812407.db2.gz RQAQBXBDBRADEZ-BZSNNMDCSA-N 1 2 309.413 2.545 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000337190113 427812409 /nfs/dbraw/zinc/81/24/09/427812409.db2.gz RQAQBXBDBRADEZ-BZSNNMDCSA-N 1 2 309.413 2.545 20 30 DFEDLO Cc1cc(N2CCCN(CC(F)(F)F)CC2)c(C#N)c(C)[nH+]1 ZINC000301671341 427813964 /nfs/dbraw/zinc/81/39/64/427813964.db2.gz NZJSJPQAUCXSBV-UHFFFAOYSA-N 1 2 312.339 2.645 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(C#N)c(C)[nH+]1 ZINC000301752461 427821458 /nfs/dbraw/zinc/82/14/58/427821458.db2.gz BMSQVOYWHLFHLJ-OAHLLOKOSA-N 1 2 312.417 2.773 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000339755808 427822731 /nfs/dbraw/zinc/82/27/31/427822731.db2.gz YLPHJLIEJPYNML-UHFFFAOYSA-N 1 2 304.409 2.908 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000339755808 427822734 /nfs/dbraw/zinc/82/27/34/427822734.db2.gz YLPHJLIEJPYNML-UHFFFAOYSA-N 1 2 304.409 2.908 20 30 DFEDLO Cc1cc(NCc2cccnc2-n2cccn2)c(C#N)c(C)[nH+]1 ZINC000301777939 427823485 /nfs/dbraw/zinc/82/34/85/427823485.db2.gz LXPPNNUKLIITSW-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000339758665 427824313 /nfs/dbraw/zinc/82/43/13/427824313.db2.gz WBPYGGQAVPBBCN-UHFFFAOYSA-N 1 2 312.335 2.533 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000339758665 427824315 /nfs/dbraw/zinc/82/43/15/427824315.db2.gz WBPYGGQAVPBBCN-UHFFFAOYSA-N 1 2 312.335 2.533 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(C(=O)c3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000301793080 427825256 /nfs/dbraw/zinc/82/52/56/427825256.db2.gz RRCOWURJCCQQSJ-MRXNPFEDSA-N 1 2 320.396 2.897 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cccc(C#N)n1 ZINC000301842505 427828586 /nfs/dbraw/zinc/82/85/86/427828586.db2.gz JXVPEDPKYNHCEM-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cnccc2C)CC1 ZINC000340513029 427870298 /nfs/dbraw/zinc/87/02/98/427870298.db2.gz AXIHCUSHAPLQLK-UHFFFAOYSA-N 1 2 322.412 2.593 20 30 DFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cnccc2C)CC1 ZINC000340519252 427872672 /nfs/dbraw/zinc/87/26/72/427872672.db2.gz WAERHELQEHIQSN-UHFFFAOYSA-N 1 2 322.412 2.593 20 30 DFEDLO C[C@@H]1C[N@@H+](CCN(C)c2c(Cl)cccc2C#N)C[C@H](C)O1 ZINC000302842141 427877211 /nfs/dbraw/zinc/87/72/11/427877211.db2.gz DITIRTJCFIVIKR-BETUJISGSA-N 1 2 307.825 2.757 20 30 DFEDLO C[C@@H]1C[N@H+](CCN(C)c2c(Cl)cccc2C#N)C[C@H](C)O1 ZINC000302842141 427877218 /nfs/dbraw/zinc/87/72/18/427877218.db2.gz DITIRTJCFIVIKR-BETUJISGSA-N 1 2 307.825 2.757 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(CC#N)cc3)n2)C1 ZINC000349854508 427879355 /nfs/dbraw/zinc/87/93/55/427879355.db2.gz TXBXCQWGGDRSSU-OAHLLOKOSA-N 1 2 312.373 2.584 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(CC#N)cc3)n2)C1 ZINC000349854508 427879364 /nfs/dbraw/zinc/87/93/64/427879364.db2.gz TXBXCQWGGDRSSU-OAHLLOKOSA-N 1 2 312.373 2.584 20 30 DFEDLO CN(C)c1ccc(CNc2c(C#N)cnc3ccccc32)c[nH+]1 ZINC000359689436 427973578 /nfs/dbraw/zinc/97/35/78/427973578.db2.gz DINFJANBLPCMFQ-UHFFFAOYSA-N 1 2 303.369 2.601 20 30 DFEDLO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341100681 427988652 /nfs/dbraw/zinc/98/86/52/427988652.db2.gz OJRCTKVHTGUYRC-ACJLOTCBSA-N 1 2 323.396 2.834 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CN1C(C)=O ZINC000340902238 427943172 /nfs/dbraw/zinc/94/31/72/427943172.db2.gz KREOLQKRKBQQMQ-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CN1C(C)=O ZINC000340902238 427943180 /nfs/dbraw/zinc/94/31/80/427943180.db2.gz KREOLQKRKBQQMQ-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000356120000 428031154 /nfs/dbraw/zinc/03/11/54/428031154.db2.gz CTWAUVUBOLUPBM-OAHLLOKOSA-N 1 2 321.446 2.565 20 30 DFEDLO CCc1cnc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000346162074 428045442 /nfs/dbraw/zinc/04/54/42/428045442.db2.gz YNMQFXRZYNYHFR-UHFFFAOYSA-N 1 2 312.442 2.899 20 30 DFEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000356050540 427999436 /nfs/dbraw/zinc/99/94/36/427999436.db2.gz FNZWMLFMZFDPCG-UHFFFAOYSA-N 1 2 314.307 2.960 20 30 DFEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000356050540 427999444 /nfs/dbraw/zinc/99/94/44/427999444.db2.gz FNZWMLFMZFDPCG-UHFFFAOYSA-N 1 2 314.307 2.960 20 30 DFEDLO C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000359917736 428074478 /nfs/dbraw/zinc/07/44/78/428074478.db2.gz OOCJWXDFLFQZKU-AWEZNQCLSA-N 1 2 318.380 2.668 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000369917806 428089012 /nfs/dbraw/zinc/08/90/12/428089012.db2.gz DYNZRURCIVNGSF-GOSISDBHSA-N 1 2 323.371 2.588 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000369917806 428089021 /nfs/dbraw/zinc/08/90/21/428089021.db2.gz DYNZRURCIVNGSF-GOSISDBHSA-N 1 2 323.371 2.588 20 30 DFEDLO N#CC[C@@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000356267691 428097041 /nfs/dbraw/zinc/09/70/41/428097041.db2.gz HLBVWQXWRKPFHH-ZWKOTPCHSA-N 1 2 322.412 2.962 20 30 DFEDLO Cc1cc[nH+]c(C)c1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000351942277 428120068 /nfs/dbraw/zinc/12/00/68/428120068.db2.gz DHKDYUXHKLPLAO-UHFFFAOYSA-N 1 2 310.357 2.771 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000360024680 428123367 /nfs/dbraw/zinc/12/33/67/428123367.db2.gz OENSFBSOAOKISN-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOCc4ccccc43)n2c1 ZINC000356340188 428131784 /nfs/dbraw/zinc/13/17/84/428131784.db2.gz LJKNPJVBGIXAOK-UHFFFAOYSA-N 1 2 304.353 2.743 20 30 DFEDLO N#Cc1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)ccn1 ZINC000346393060 428153858 /nfs/dbraw/zinc/15/38/58/428153858.db2.gz SPHIMTUZIUNVFP-UHFFFAOYSA-N 1 2 314.308 2.856 20 30 DFEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356413658 428166625 /nfs/dbraw/zinc/16/66/25/428166625.db2.gz MMNQOKCVAUHFSO-GFCCVEGCSA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356413658 428166629 /nfs/dbraw/zinc/16/66/29/428166629.db2.gz MMNQOKCVAUHFSO-GFCCVEGCSA-N 1 2 307.419 2.568 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ncn(C)n1 ZINC000356435584 428177041 /nfs/dbraw/zinc/17/70/41/428177041.db2.gz XVZDFPNPWFHHKI-SECBINFHSA-N 1 2 309.295 2.556 20 30 DFEDLO C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000360141648 428178256 /nfs/dbraw/zinc/17/82/56/428178256.db2.gz MAUPERNTLFOAMG-CYBMUJFWSA-N 1 2 308.385 2.511 20 30 DFEDLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000360142987 428178848 /nfs/dbraw/zinc/17/88/48/428178848.db2.gz YYHZEJVQGVSSQK-SJORKVTESA-N 1 2 300.402 2.889 20 30 DFEDLO CC1(C)CC[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000360142987 428178854 /nfs/dbraw/zinc/17/88/54/428178854.db2.gz YYHZEJVQGVSSQK-SJORKVTESA-N 1 2 300.402 2.889 20 30 DFEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000341832530 428221988 /nfs/dbraw/zinc/22/19/88/428221988.db2.gz NCSKVTUQPCDWMF-UHFFFAOYSA-N 1 2 314.410 2.594 20 30 DFEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000341832530 428221999 /nfs/dbraw/zinc/22/19/99/428221999.db2.gz NCSKVTUQPCDWMF-UHFFFAOYSA-N 1 2 314.410 2.594 20 30 DFEDLO N#Cc1ccnc(NCC[N@@H+]2CCc3sccc3C2)c1Cl ZINC000341835380 428223892 /nfs/dbraw/zinc/22/38/92/428223892.db2.gz BIDJWYFEVMYOKR-UHFFFAOYSA-N 1 2 318.833 3.138 20 30 DFEDLO N#Cc1ccnc(NCC[N@H+]2CCc3sccc3C2)c1Cl ZINC000341835380 428223894 /nfs/dbraw/zinc/22/38/94/428223894.db2.gz BIDJWYFEVMYOKR-UHFFFAOYSA-N 1 2 318.833 3.138 20 30 DFEDLO C=CCC[C@H](O)C[NH2+][C@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000370502757 428224989 /nfs/dbraw/zinc/22/49/89/428224989.db2.gz JVTUXDVAVKTIDL-HOTGVXAUSA-N 1 2 313.401 2.953 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000360272004 428230221 /nfs/dbraw/zinc/23/02/21/428230221.db2.gz WXOPITTVTRRAQW-UHFFFAOYSA-N 1 2 323.234 2.743 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000360272004 428230225 /nfs/dbraw/zinc/23/02/25/428230225.db2.gz WXOPITTVTRRAQW-UHFFFAOYSA-N 1 2 323.234 2.743 20 30 DFEDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000360161019 428187039 /nfs/dbraw/zinc/18/70/39/428187039.db2.gz DVMKSBGXNOXARW-CJNGLKHVSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cccn2cc(CNC(=O)[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000360170824 428190156 /nfs/dbraw/zinc/19/01/56/428190156.db2.gz OTAFVLYVKINGLB-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468101 428191613 /nfs/dbraw/zinc/19/16/13/428191613.db2.gz BZUKALKZGWZOMD-KGLIPLIRSA-N 1 2 305.397 2.654 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468101 428191615 /nfs/dbraw/zinc/19/16/15/428191615.db2.gz BZUKALKZGWZOMD-KGLIPLIRSA-N 1 2 305.397 2.654 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N ZINC000370359398 428192395 /nfs/dbraw/zinc/19/23/95/428192395.db2.gz UUMGXAQHQLLDFW-ROJDOSBLSA-N 1 2 306.369 2.669 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352685517 428204610 /nfs/dbraw/zinc/20/46/10/428204610.db2.gz IWGIGEWBKXZGCZ-TZMCWYRMSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352685517 428204613 /nfs/dbraw/zinc/20/46/13/428204613.db2.gz IWGIGEWBKXZGCZ-TZMCWYRMSA-N 1 2 316.298 2.690 20 30 DFEDLO CCc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360366715 428269922 /nfs/dbraw/zinc/26/99/22/428269922.db2.gz VFAFZYYLXZXVBY-GOSISDBHSA-N 1 2 307.397 2.779 20 30 DFEDLO CCc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360366715 428269924 /nfs/dbraw/zinc/26/99/24/428269924.db2.gz VFAFZYYLXZXVBY-GOSISDBHSA-N 1 2 307.397 2.779 20 30 DFEDLO C[C@@H](C(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000360366205 428271381 /nfs/dbraw/zinc/27/13/81/428271381.db2.gz RDTBYCXKEQNJKG-CJNGLKHVSA-N 1 2 308.385 2.552 20 30 DFEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352841927 428273154 /nfs/dbraw/zinc/27/31/54/428273154.db2.gz UJOHCQBBERGUAG-OAHLLOKOSA-N 1 2 304.463 2.803 20 30 DFEDLO Cc1ccc([C@@H](CNCc2nc(C#N)cs2)[NH+]2CCCC2)o1 ZINC000352837336 428274523 /nfs/dbraw/zinc/27/45/23/428274523.db2.gz ZNCLBQFZJWMWRB-CQSZACIVSA-N 1 2 316.430 2.843 20 30 DFEDLO COC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000352846894 428275665 /nfs/dbraw/zinc/27/56/65/428275665.db2.gz SUKBDGMYOLDPOC-ZDUSSCGKSA-N 1 2 309.341 2.770 20 30 DFEDLO Cn1c(C[NH2+]Cc2nc(C#N)cs2)nc2cc(Cl)ccc21 ZINC000352863800 428285312 /nfs/dbraw/zinc/28/53/12/428285312.db2.gz WPHTYKVWTXCYLA-UHFFFAOYSA-N 1 2 317.805 2.845 20 30 DFEDLO CN(C(=O)c1cc(C#N)ccn1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352781154 428246927 /nfs/dbraw/zinc/24/69/27/428246927.db2.gz XQFHQZKZLAGYHN-MRXNPFEDSA-N 1 2 317.352 2.538 20 30 DFEDLO C[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C#N)c1 ZINC000360325250 428251160 /nfs/dbraw/zinc/25/11/60/428251160.db2.gz AEOAKSSCADMFGN-KDOFPFPSSA-N 1 2 321.380 2.737 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1ccccc1C#N)CCC2 ZINC000370953682 428327267 /nfs/dbraw/zinc/32/72/67/428327267.db2.gz OGEKLFIPMZKUNA-IJDCCNJMSA-N 1 2 320.396 2.770 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1OC ZINC000356894385 428353801 /nfs/dbraw/zinc/35/38/01/428353801.db2.gz NMCCELLJDVFFBC-LLVKDONJSA-N 1 2 303.362 2.802 20 30 DFEDLO N#Cc1csc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)n1 ZINC000352899224 428304244 /nfs/dbraw/zinc/30/42/44/428304244.db2.gz QQSAXQNOSVVACR-ZDUSSCGKSA-N 1 2 307.806 2.881 20 30 DFEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000372415720 428445275 /nfs/dbraw/zinc/44/52/75/428445275.db2.gz JBGWBTOARKIDQI-UHFFFAOYSA-N 1 2 324.409 2.743 20 30 DFEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000372415720 428445284 /nfs/dbraw/zinc/44/52/84/428445284.db2.gz JBGWBTOARKIDQI-UHFFFAOYSA-N 1 2 324.409 2.743 20 30 DFEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347106340 428447284 /nfs/dbraw/zinc/44/72/84/428447284.db2.gz LPLXUQCSUHCXBK-FZMZJTMJSA-N 1 2 323.799 2.719 20 30 DFEDLO C=C(C)COCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342798370 428458327 /nfs/dbraw/zinc/45/83/27/428458327.db2.gz VDXHJAJRROIVPB-QGZVFWFLSA-N 1 2 303.381 2.831 20 30 DFEDLO CN(CC#N)C(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000347039007 428418832 /nfs/dbraw/zinc/41/88/32/428418832.db2.gz LLHJOSLWSUQDDD-HNNXBMFYSA-N 1 2 323.799 2.988 20 30 DFEDLO N#Cc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000378533831 428421823 /nfs/dbraw/zinc/42/18/23/428421823.db2.gz OAMOSWLTGOBIGS-UHFFFAOYSA-N 1 2 315.380 2.874 20 30 DFEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372679552 428486038 /nfs/dbraw/zinc/48/60/38/428486038.db2.gz FIRVNJORJFZEEN-KDURUIRLSA-N 1 2 307.397 2.771 20 30 DFEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372679552 428486046 /nfs/dbraw/zinc/48/60/46/428486046.db2.gz FIRVNJORJFZEEN-KDURUIRLSA-N 1 2 307.397 2.771 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373106366 428518169 /nfs/dbraw/zinc/51/81/69/428518169.db2.gz IJTDAFREMOCMAN-OAHLLOKOSA-N 1 2 308.385 2.813 20 30 DFEDLO COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2(C#N)CC2)c1 ZINC000343140206 428523161 /nfs/dbraw/zinc/52/31/61/428523161.db2.gz NFMKARQPLAAPCG-KRWDZBQOSA-N 1 2 300.402 2.980 20 30 DFEDLO COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2(C#N)CC2)c1 ZINC000343140206 428523164 /nfs/dbraw/zinc/52/31/64/428523164.db2.gz NFMKARQPLAAPCG-KRWDZBQOSA-N 1 2 300.402 2.980 20 30 DFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357436350 428535658 /nfs/dbraw/zinc/53/56/58/428535658.db2.gz JYRWHSPICNTESN-GFCCVEGCSA-N 1 2 306.325 2.612 20 30 DFEDLO COc1ccccc1N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399457618 428539453 /nfs/dbraw/zinc/53/94/53/428539453.db2.gz QCMJRHAKRMDYIA-UHFFFAOYSA-N 1 2 308.385 2.597 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000373292240 428539875 /nfs/dbraw/zinc/53/98/75/428539875.db2.gz NTYCETASMJBUKB-HNNXBMFYSA-N 1 2 315.392 2.639 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000343254426 428541148 /nfs/dbraw/zinc/54/11/48/428541148.db2.gz BWAYIDOKWDFDLJ-MRXNPFEDSA-N 1 2 316.445 2.993 20 30 DFEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)C1CC1 ZINC000357532895 428543353 /nfs/dbraw/zinc/54/33/53/428543353.db2.gz QFDYKAOZYBGKDZ-UHFFFAOYSA-N 1 2 304.390 2.641 20 30 DFEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)C1CC1 ZINC000357532895 428543361 /nfs/dbraw/zinc/54/33/61/428543361.db2.gz QFDYKAOZYBGKDZ-UHFFFAOYSA-N 1 2 304.390 2.641 20 30 DFEDLO C#CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000361235140 428550065 /nfs/dbraw/zinc/55/00/65/428550065.db2.gz XKLTUEVSHARBOK-HUUCEWRRSA-N 1 2 323.799 2.547 20 30 DFEDLO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000361235140 428550067 /nfs/dbraw/zinc/55/00/67/428550067.db2.gz XKLTUEVSHARBOK-HUUCEWRRSA-N 1 2 323.799 2.547 20 30 DFEDLO C=CCN(Cc1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000361331870 428560662 /nfs/dbraw/zinc/56/06/62/428560662.db2.gz PUULGMJQGNFDBI-QGZVFWFLSA-N 1 2 313.401 2.572 20 30 DFEDLO C=CCN(Cc1c[nH]c[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000361331870 428560667 /nfs/dbraw/zinc/56/06/67/428560667.db2.gz PUULGMJQGNFDBI-QGZVFWFLSA-N 1 2 313.401 2.572 20 30 DFEDLO N#CCC[C@H](C#N)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357801315 428565109 /nfs/dbraw/zinc/56/51/09/428565109.db2.gz JNQKHADCDNZZIW-CQSZACIVSA-N 1 2 323.375 2.813 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000373578198 428611812 /nfs/dbraw/zinc/61/18/12/428611812.db2.gz QLFXWEXBPRDGGT-SJORKVTESA-N 1 2 322.412 2.824 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000347683507 428619662 /nfs/dbraw/zinc/61/96/62/428619662.db2.gz DVZIJWQPXMKSBK-WMZOPIPTSA-N 1 2 324.428 2.832 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1OC(F)F ZINC000347695902 428622560 /nfs/dbraw/zinc/62/25/60/428622560.db2.gz AXOXCMHPJIUHNK-SRVKXCTJSA-N 1 2 323.343 2.897 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000347711172 428623226 /nfs/dbraw/zinc/62/32/26/428623226.db2.gz YRLUDYPAVLAZNZ-XHDPSFHLSA-N 1 2 302.328 2.932 20 30 DFEDLO CC(C)n1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344104198 428624749 /nfs/dbraw/zinc/62/47/49/428624749.db2.gz HAAWHGOLDLXHIO-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO CC(C)n1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344104198 428624755 /nfs/dbraw/zinc/62/47/55/428624755.db2.gz HAAWHGOLDLXHIO-UHFFFAOYSA-N 1 2 312.417 2.984 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000347862370 428627129 /nfs/dbraw/zinc/62/71/29/428627129.db2.gz JJUTZLXCTUAJSG-UHFFFAOYSA-N 1 2 324.403 2.977 20 30 DFEDLO COCC1(C)CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000358733060 428646743 /nfs/dbraw/zinc/64/67/43/428646743.db2.gz ADIRBIKXYNWAME-INIZCTEOSA-N 1 2 316.401 2.521 20 30 DFEDLO CC(C)c1nc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)no1 ZINC000374311244 428674576 /nfs/dbraw/zinc/67/45/76/428674576.db2.gz OCQVSFKMRSUMGE-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)no1 ZINC000374311244 428674580 /nfs/dbraw/zinc/67/45/80/428674580.db2.gz OCQVSFKMRSUMGE-CYBMUJFWSA-N 1 2 306.410 2.896 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374362646 428677173 /nfs/dbraw/zinc/67/71/73/428677173.db2.gz RTHVCOBMAUDNMX-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374362646 428677176 /nfs/dbraw/zinc/67/71/76/428677176.db2.gz RTHVCOBMAUDNMX-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411194556 428757523 /nfs/dbraw/zinc/75/75/23/428757523.db2.gz QQIYPFYGRFHUEO-KRWDZBQOSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000411194556 428757527 /nfs/dbraw/zinc/75/75/27/428757527.db2.gz QQIYPFYGRFHUEO-KRWDZBQOSA-N 1 2 317.429 2.828 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000411297502 428772009 /nfs/dbraw/zinc/77/20/09/428772009.db2.gz UEDGUYCSVSHYTE-OAHLLOKOSA-N 1 2 320.458 2.916 20 30 DFEDLO CSc1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000411297502 428772013 /nfs/dbraw/zinc/77/20/13/428772013.db2.gz UEDGUYCSVSHYTE-OAHLLOKOSA-N 1 2 320.458 2.916 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000411297499 428773490 /nfs/dbraw/zinc/77/34/90/428773490.db2.gz UEDGUYCSVSHYTE-HNNXBMFYSA-N 1 2 320.458 2.916 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000411297499 428773496 /nfs/dbraw/zinc/77/34/96/428773496.db2.gz UEDGUYCSVSHYTE-HNNXBMFYSA-N 1 2 320.458 2.916 20 30 DFEDLO COCCc1noc(C[N@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000411321714 428779186 /nfs/dbraw/zinc/77/91/86/428779186.db2.gz VDLZVCALGXGPDK-UHFFFAOYSA-N 1 2 306.410 2.554 20 30 DFEDLO COCCc1noc(C[N@@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000411321714 428779192 /nfs/dbraw/zinc/77/91/92/428779192.db2.gz VDLZVCALGXGPDK-UHFFFAOYSA-N 1 2 306.410 2.554 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000348549569 428783010 /nfs/dbraw/zinc/78/30/10/428783010.db2.gz RWVZZVOCTCRORV-LFRPXUGBSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000348549569 428783014 /nfs/dbraw/zinc/78/30/14/428783014.db2.gz RWVZZVOCTCRORV-LFRPXUGBSA-N 1 2 307.459 2.983 20 30 DFEDLO C=C[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000353840623 428742323 /nfs/dbraw/zinc/74/23/23/428742323.db2.gz JTSFNEUHDBLMQG-ZDUSSCGKSA-N 1 2 309.413 2.917 20 30 DFEDLO C=C[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000353840623 428742326 /nfs/dbraw/zinc/74/23/26/428742326.db2.gz JTSFNEUHDBLMQG-ZDUSSCGKSA-N 1 2 309.413 2.917 20 30 DFEDLO CCCCOC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000362451523 428751554 /nfs/dbraw/zinc/75/15/54/428751554.db2.gz TUWCGMHRNJVYOE-UHFFFAOYSA-N 1 2 321.446 2.839 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000362654709 428797072 /nfs/dbraw/zinc/79/70/72/428797072.db2.gz ZUBARORIZHUAGH-ZWKOTPCHSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000362654709 428797075 /nfs/dbraw/zinc/79/70/75/428797075.db2.gz ZUBARORIZHUAGH-ZWKOTPCHSA-N 1 2 321.428 2.814 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000411496306 428805018 /nfs/dbraw/zinc/80/50/18/428805018.db2.gz XOSUYSSIJXAFSE-HNNXBMFYSA-N 1 2 323.400 2.755 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000411496306 428805024 /nfs/dbraw/zinc/80/50/24/428805024.db2.gz XOSUYSSIJXAFSE-HNNXBMFYSA-N 1 2 323.400 2.755 20 30 DFEDLO Cc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1C#N ZINC000362958696 428824402 /nfs/dbraw/zinc/82/44/02/428824402.db2.gz RNDVYQIERAPAEL-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000354057655 428840329 /nfs/dbraw/zinc/84/03/29/428840329.db2.gz XULJWVFPXHYZPY-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO COc1ccccc1[C@@H](NCc1ccc(C#N)o1)c1[nH+]ccn1C ZINC000363264136 428895140 /nfs/dbraw/zinc/89/51/40/428895140.db2.gz ITLPLAFDNZFZNF-QGZVFWFLSA-N 1 2 322.368 2.773 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CC(C)(C)C#N ZINC000354171646 428896811 /nfs/dbraw/zinc/89/68/11/428896811.db2.gz JBUBQXDERQSTAV-UHFFFAOYSA-N 1 2 310.401 2.830 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1)C1CC1 ZINC000363495697 428928544 /nfs/dbraw/zinc/92/85/44/428928544.db2.gz KVVJQBQNRANQCE-PBHICJAKSA-N 1 2 301.390 2.615 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1)C1CC1 ZINC000363495697 428928553 /nfs/dbraw/zinc/92/85/53/428928553.db2.gz KVVJQBQNRANQCE-PBHICJAKSA-N 1 2 301.390 2.615 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000363532016 428937244 /nfs/dbraw/zinc/93/72/44/428937244.db2.gz DISABHIPIGBXFI-AWEZNQCLSA-N 1 2 309.373 2.762 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000363571322 428946191 /nfs/dbraw/zinc/94/61/91/428946191.db2.gz LJVGNAVGUPWYHC-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000363571322 428946192 /nfs/dbraw/zinc/94/61/92/428946192.db2.gz LJVGNAVGUPWYHC-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO Cc1cc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000420855523 428969813 /nfs/dbraw/zinc/96/98/13/428969813.db2.gz WRRJGZMOOLTMEE-UHFFFAOYSA-N 1 2 308.385 2.912 20 30 DFEDLO CCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189958 429031774 /nfs/dbraw/zinc/03/17/74/429031774.db2.gz DCUXPZOXEYTCGB-BFUOFWGJSA-N 1 2 321.380 2.687 20 30 DFEDLO CCc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189958 429031778 /nfs/dbraw/zinc/03/17/78/429031778.db2.gz DCUXPZOXEYTCGB-BFUOFWGJSA-N 1 2 321.380 2.687 20 30 DFEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1c(Cl)cccc1C#N ZINC000432939136 428975010 /nfs/dbraw/zinc/97/50/10/428975010.db2.gz NDUZBTUVMSEWSV-UHFFFAOYSA-N 1 2 307.825 2.759 20 30 DFEDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1c(Cl)cccc1C#N ZINC000432939136 428975018 /nfs/dbraw/zinc/97/50/18/428975018.db2.gz NDUZBTUVMSEWSV-UHFFFAOYSA-N 1 2 307.825 2.759 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000421032832 428977869 /nfs/dbraw/zinc/97/78/69/428977869.db2.gz XJWOSIGCHTUBSH-NEPJUHHUSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000421032832 428977874 /nfs/dbraw/zinc/97/78/74/428977874.db2.gz XJWOSIGCHTUBSH-NEPJUHHUSA-N 1 2 321.446 2.814 20 30 DFEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000349472871 428992877 /nfs/dbraw/zinc/99/28/77/428992877.db2.gz HEHPBYUEQVIRLQ-CYBMUJFWSA-N 1 2 322.290 2.673 20 30 DFEDLO N#Cc1ccc(SCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452331477 429094919 /nfs/dbraw/zinc/09/49/19/429094919.db2.gz DFQNTVLUOFBNTF-UHFFFAOYSA-N 1 2 312.398 2.822 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000424499167 429147572 /nfs/dbraw/zinc/14/75/72/429147572.db2.gz DHZJQFWSOVHPCW-CVEARBPZSA-N 1 2 317.433 2.525 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413160914 429154047 /nfs/dbraw/zinc/15/40/47/429154047.db2.gz YRRQOUSKALYLGO-HZPDHXFCSA-N 1 2 318.465 2.866 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413160914 429154053 /nfs/dbraw/zinc/15/40/53/429154053.db2.gz YRRQOUSKALYLGO-HZPDHXFCSA-N 1 2 318.465 2.866 20 30 DFEDLO N#Cc1cccc(C#N)c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376427200 429111045 /nfs/dbraw/zinc/11/10/45/429111045.db2.gz JVXNOZDWXXNETK-UHFFFAOYSA-N 1 2 300.325 2.623 20 30 DFEDLO Cc1c2c(nc(SCC[N@H+]3CCOC[C@H]3C)c1C#N)CCC2 ZINC000412988968 429117969 /nfs/dbraw/zinc/11/79/69/429117969.db2.gz MPYDIPHCNHQGSB-GFCCVEGCSA-N 1 2 317.458 2.563 20 30 DFEDLO Cc1c2c(nc(SCC[N@@H+]3CCOC[C@H]3C)c1C#N)CCC2 ZINC000412988968 429117974 /nfs/dbraw/zinc/11/79/74/429117974.db2.gz MPYDIPHCNHQGSB-GFCCVEGCSA-N 1 2 317.458 2.563 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)nn1 ZINC000424299079 429122147 /nfs/dbraw/zinc/12/21/47/429122147.db2.gz UULNOVGXICNOPO-AWEZNQCLSA-N 1 2 304.394 2.930 20 30 DFEDLO Cc1cc(N[C@@H]2CC(C)(C)Oc3ccc(N)cc32)c(C#N)c[nH+]1 ZINC000424414211 429138188 /nfs/dbraw/zinc/13/81/88/429138188.db2.gz QHSJMNAZZFEANS-MRXNPFEDSA-N 1 2 308.385 2.980 20 30 DFEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000364049027 429162126 /nfs/dbraw/zinc/16/21/26/429162126.db2.gz SONBPANDWBLCKN-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454331101 429163511 /nfs/dbraw/zinc/16/35/11/429163511.db2.gz VWATWQNCDJBQIV-UHFFFAOYSA-N 1 2 312.417 2.943 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000292267823 335087129 /nfs/dbraw/zinc/08/71/29/335087129.db2.gz NRAFQRJIMMHQJY-UHFFFAOYSA-N 1 2 316.445 2.812 20 30 DFEDLO Cc1cc(C)c(CNC(=O)NCC2CCC(C#N)CC2)c[nH+]1 ZINC000454910463 429174957 /nfs/dbraw/zinc/17/49/57/429174957.db2.gz LAGVOKSYBZNWCP-UHFFFAOYSA-N 1 2 300.406 2.828 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccc1C#N ZINC000488132861 429176664 /nfs/dbraw/zinc/17/66/64/429176664.db2.gz XVWORGNETKDNCF-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC(C)(C)CCC#N)CC1(C)C ZINC000454958600 429176922 /nfs/dbraw/zinc/17/69/22/429176922.db2.gz LLTAOYRAPNKMPC-ZDUSSCGKSA-N 1 2 317.437 2.843 20 30 DFEDLO N#Cc1cnccc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000364319951 429180789 /nfs/dbraw/zinc/18/07/89/429180789.db2.gz CFZBPUXKAAMODF-UHFFFAOYSA-N 1 2 307.401 2.763 20 30 DFEDLO CC1=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000437211021 429203562 /nfs/dbraw/zinc/20/35/62/429203562.db2.gz UBBVUCIOYRGCGQ-UHFFFAOYSA-N 1 2 309.413 2.703 20 30 DFEDLO N#Cc1csc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000437545877 429205351 /nfs/dbraw/zinc/20/53/51/429205351.db2.gz IBNOAQQVDRPAAY-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489406784 429238528 /nfs/dbraw/zinc/23/85/28/429238528.db2.gz OZSZTDZNXLDZNU-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489406784 429238531 /nfs/dbraw/zinc/23/85/31/429238531.db2.gz OZSZTDZNXLDZNU-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000489472593 429245001 /nfs/dbraw/zinc/24/50/01/429245001.db2.gz CIEIGCVMEZSPJS-AWEZNQCLSA-N 1 2 309.431 2.509 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000489472593 429245004 /nfs/dbraw/zinc/24/50/04/429245004.db2.gz CIEIGCVMEZSPJS-AWEZNQCLSA-N 1 2 309.431 2.509 20 30 DFEDLO C=CCCOCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425221105 429246196 /nfs/dbraw/zinc/24/61/96/429246196.db2.gz FXAPASGAWLXJEW-MRXNPFEDSA-N 1 2 313.401 2.641 20 30 DFEDLO C=CCCOCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425221104 429247083 /nfs/dbraw/zinc/24/70/83/429247083.db2.gz FXAPASGAWLXJEW-INIZCTEOSA-N 1 2 313.401 2.641 20 30 DFEDLO Cc1cc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425251662 429250658 /nfs/dbraw/zinc/25/06/58/429250658.db2.gz FWYVOFDMBKOITK-OCCSQVGLSA-N 1 2 313.323 2.579 20 30 DFEDLO COCCCOc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425245779 429250746 /nfs/dbraw/zinc/25/07/46/429250746.db2.gz KHUJNYXQHZNOTN-UHFFFAOYSA-N 1 2 311.385 2.711 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000443520904 429254780 /nfs/dbraw/zinc/25/47/80/429254780.db2.gz HFGPLQWTAQGFIK-UHFFFAOYSA-N 1 2 323.322 3.437 20 30 DFEDLO Cc1cc(N2CC[C@](O)(Cc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425285261 429257081 /nfs/dbraw/zinc/25/70/81/429257081.db2.gz SMCLSLDQUNJZGO-SFHVURJKSA-N 1 2 311.360 2.585 20 30 DFEDLO N#C[C@H]1CC[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425322060 429263283 /nfs/dbraw/zinc/26/32/83/429263283.db2.gz ILAMQSKTNDERCB-IMJJTQAJSA-N 1 2 308.385 2.740 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709329 429275235 /nfs/dbraw/zinc/27/52/35/429275235.db2.gz QFIFWULZAGPBPW-ZDUSSCGKSA-N 1 2 308.372 2.986 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444709329 429275242 /nfs/dbraw/zinc/27/52/42/429275242.db2.gz QFIFWULZAGPBPW-ZDUSSCGKSA-N 1 2 308.372 2.986 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)nnn1CC)Cc1ccc(OC)cc1 ZINC000449015729 429323239 /nfs/dbraw/zinc/32/32/39/429323239.db2.gz LZNDMDNQOZBCNR-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO C=CC[N@H+](Cc1c(C)nnn1CC)Cc1ccc(OC)cc1 ZINC000449015729 429323243 /nfs/dbraw/zinc/32/32/43/429323243.db2.gz LZNDMDNQOZBCNR-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365469367 429324068 /nfs/dbraw/zinc/32/40/68/429324068.db2.gz KVKXLGJZCKWBCN-ZDUSSCGKSA-N 1 2 319.771 2.875 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(CC)cc2)n1 ZINC000491285703 429343729 /nfs/dbraw/zinc/34/37/29/429343729.db2.gz FDUNFVKJICTTKV-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(CC)cc2)n1 ZINC000491285703 429343733 /nfs/dbraw/zinc/34/37/33/429343733.db2.gz FDUNFVKJICTTKV-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447856323 429306713 /nfs/dbraw/zinc/30/67/13/429306713.db2.gz ZXZRFBLEKXCKDP-ZDUSSCGKSA-N 1 2 319.371 2.801 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447856323 429306716 /nfs/dbraw/zinc/30/67/16/429306716.db2.gz ZXZRFBLEKXCKDP-ZDUSSCGKSA-N 1 2 319.371 2.801 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841668 429306980 /nfs/dbraw/zinc/30/69/80/429306980.db2.gz YMKVRDNGEWGYOI-PBFPGSCMSA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841668 429306987 /nfs/dbraw/zinc/30/69/87/429306987.db2.gz YMKVRDNGEWGYOI-PBFPGSCMSA-N 1 2 320.820 2.980 20 30 DFEDLO COCC[N@H+](CC#Cc1ccc(F)cc1)Cc1cncs1 ZINC000447839751 429307227 /nfs/dbraw/zinc/30/72/27/429307227.db2.gz MOHFBSMQDJATQP-UHFFFAOYSA-N 1 2 304.390 2.782 20 30 DFEDLO COCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cncs1 ZINC000447839751 429307233 /nfs/dbraw/zinc/30/72/33/429307233.db2.gz MOHFBSMQDJATQP-UHFFFAOYSA-N 1 2 304.390 2.782 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821406 429307488 /nfs/dbraw/zinc/30/74/88/429307488.db2.gz LAEUZMWGPGFPOK-VKJFTORMSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821406 429307491 /nfs/dbraw/zinc/30/74/91/429307491.db2.gz LAEUZMWGPGFPOK-VKJFTORMSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC2(CCOCC2)O1 ZINC000447820560 429307688 /nfs/dbraw/zinc/30/76/88/429307688.db2.gz GLIXSAVSXAVJKI-ZDUSSCGKSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC2(CCOCC2)O1 ZINC000447820560 429307691 /nfs/dbraw/zinc/30/76/91/429307691.db2.gz GLIXSAVSXAVJKI-ZDUSSCGKSA-N 1 2 320.820 2.982 20 30 DFEDLO Cc1cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000496194899 429312257 /nfs/dbraw/zinc/31/22/57/429312257.db2.gz JKJXLZPNHHMHJH-LBPRGKRZSA-N 1 2 318.421 2.789 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000448768541 429317450 /nfs/dbraw/zinc/31/74/50/429317450.db2.gz DQMSWAUDYRVRRN-XHDPSFHLSA-N 1 2 304.419 2.617 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccc(F)cc1 ZINC000491694869 429391533 /nfs/dbraw/zinc/39/15/33/429391533.db2.gz BJIBGEZPBFVDDU-QGZVFWFLSA-N 1 2 308.360 2.949 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000491708417 429393755 /nfs/dbraw/zinc/39/37/55/429393755.db2.gz PWIQFVOYLOUANQ-INIZCTEOSA-N 1 2 314.433 2.673 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000491732305 429398525 /nfs/dbraw/zinc/39/85/25/429398525.db2.gz HPGCCFRIZIYZOD-VIFPVBQESA-N 1 2 314.288 2.658 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000491732305 429398528 /nfs/dbraw/zinc/39/85/28/429398528.db2.gz HPGCCFRIZIYZOD-VIFPVBQESA-N 1 2 314.288 2.658 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000491739299 429400728 /nfs/dbraw/zinc/40/07/28/429400728.db2.gz PVOZUNFYYSLWKM-LLVKDONJSA-N 1 2 300.383 2.992 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000491739299 429400730 /nfs/dbraw/zinc/40/07/30/429400730.db2.gz PVOZUNFYYSLWKM-LLVKDONJSA-N 1 2 300.383 2.992 20 30 DFEDLO C#CC[N@@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)C1CCCC1 ZINC000491750527 429402450 /nfs/dbraw/zinc/40/24/50/429402450.db2.gz IJMKCPONYDLOCD-UHFFFAOYSA-N 1 2 300.402 2.895 20 30 DFEDLO C#CC[N@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)C1CCCC1 ZINC000491750527 429402452 /nfs/dbraw/zinc/40/24/52/429402452.db2.gz IJMKCPONYDLOCD-UHFFFAOYSA-N 1 2 300.402 2.895 20 30 DFEDLO C#CCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491768676 429405225 /nfs/dbraw/zinc/40/52/25/429405225.db2.gz LDJNYVUUNZXZMM-KRWDZBQOSA-N 1 2 310.401 2.516 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000491783643 429408122 /nfs/dbraw/zinc/40/81/22/429408122.db2.gz RAOBYYCPPSHHBY-DZGCQCFKSA-N 1 2 305.447 2.548 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(Cl)cc1 ZINC000491474294 429364485 /nfs/dbraw/zinc/36/44/85/429364485.db2.gz LNCOXARYERJFQB-INIZCTEOSA-N 1 2 303.793 2.647 20 30 DFEDLO Cc1cc(Nc2ccc(C#N)c(N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000514679277 429367815 /nfs/dbraw/zinc/36/78/15/429367815.db2.gz KRBFPLODHAGGLQ-CYBMUJFWSA-N 1 2 322.416 3.361 20 30 DFEDLO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000514941292 429373423 /nfs/dbraw/zinc/37/34/23/429373423.db2.gz BSHFCFUYEBUSIF-SCTDSRPQSA-N 1 2 313.445 2.874 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000491555454 429374057 /nfs/dbraw/zinc/37/40/57/429374057.db2.gz RFJCEWGRNJPDKU-GFCCVEGCSA-N 1 2 306.356 2.582 20 30 DFEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000491555454 429374061 /nfs/dbraw/zinc/37/40/61/429374061.db2.gz RFJCEWGRNJPDKU-GFCCVEGCSA-N 1 2 306.356 2.582 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449282773 429376146 /nfs/dbraw/zinc/37/61/46/429376146.db2.gz IRICSDHLMMBIEJ-UHFFFAOYSA-N 1 2 324.852 2.811 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449282773 429376150 /nfs/dbraw/zinc/37/61/50/429376150.db2.gz IRICSDHLMMBIEJ-UHFFFAOYSA-N 1 2 324.852 2.811 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(F)cc1 ZINC000491628950 429381859 /nfs/dbraw/zinc/38/18/59/429381859.db2.gz LSXPFCZMOZFOAY-CQDKDKBSSA-N 1 2 312.348 2.702 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000491664395 429388170 /nfs/dbraw/zinc/38/81/70/429388170.db2.gz UABYERHORIZFNC-KRWDZBQOSA-N 1 2 324.428 2.779 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366228123 429438796 /nfs/dbraw/zinc/43/87/96/429438796.db2.gz LIKXTMTWWXYYDF-GDBMZVCRSA-N 1 2 308.385 2.773 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000366228123 429438802 /nfs/dbraw/zinc/43/88/02/429438802.db2.gz LIKXTMTWWXYYDF-GDBMZVCRSA-N 1 2 308.385 2.773 20 30 DFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000457377610 429454402 /nfs/dbraw/zinc/45/44/02/429454402.db2.gz CEDWJUUVLHWORR-OAHLLOKOSA-N 1 2 311.429 2.639 20 30 DFEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000491807016 429412312 /nfs/dbraw/zinc/41/23/12/429412312.db2.gz SEBZHZXFFAZFML-QGZVFWFLSA-N 1 2 321.355 2.815 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@]1(C#N)CC1(C)C)Cc1ccccc1Cl ZINC000427898584 429477441 /nfs/dbraw/zinc/47/74/41/429477441.db2.gz UBUNKBYFFZVJHL-QGZVFWFLSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@]1(C#N)CC1(C)C)Cc1ccccc1Cl ZINC000427898584 429477444 /nfs/dbraw/zinc/47/74/44/429477444.db2.gz UBUNKBYFFZVJHL-QGZVFWFLSA-N 1 2 319.836 2.970 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cccc(C#N)c1)CCC2 ZINC000366602420 429484141 /nfs/dbraw/zinc/48/41/41/429484141.db2.gz FJZZMNZTEQSGIG-CQSZACIVSA-N 1 2 309.373 2.762 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000366604711 429486719 /nfs/dbraw/zinc/48/67/19/429486719.db2.gz AUXZIKPVCJESQH-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCCOC2)O1 ZINC000428957670 429564633 /nfs/dbraw/zinc/56/46/33/429564633.db2.gz AKDHNDZKCQHBCA-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCCOC2)O1 ZINC000428957670 429564638 /nfs/dbraw/zinc/56/46/38/429564638.db2.gz AKDHNDZKCQHBCA-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO N#CC1(C[NH+]2CCN(c3ncnc4sccc43)CC2)CCC1 ZINC000450511510 429642302 /nfs/dbraw/zinc/64/23/02/429642302.db2.gz BGUJJVREWFLIHO-UHFFFAOYSA-N 1 2 313.430 2.507 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000522942918 429598264 /nfs/dbraw/zinc/59/82/64/429598264.db2.gz KLOBIGRNYZXFGL-YJBOKZPZSA-N 1 2 301.434 2.981 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000522942918 429598267 /nfs/dbraw/zinc/59/82/67/429598267.db2.gz KLOBIGRNYZXFGL-YJBOKZPZSA-N 1 2 301.434 2.981 20 30 DFEDLO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1(C#N)CCC1 ZINC000450371747 429612581 /nfs/dbraw/zinc/61/25/81/429612581.db2.gz KAYIBDHYPWAHTC-HNNXBMFYSA-N 1 2 319.474 2.747 20 30 DFEDLO C[N@@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1(C#N)CCC1 ZINC000450371747 429612586 /nfs/dbraw/zinc/61/25/86/429612586.db2.gz KAYIBDHYPWAHTC-HNNXBMFYSA-N 1 2 319.474 2.747 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC000367526279 429666538 /nfs/dbraw/zinc/66/65/38/429666538.db2.gz HGDJNCPDOCGFFD-ZDUSSCGKSA-N 1 2 312.348 2.510 20 30 DFEDLO CC(C)[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459493232 429698861 /nfs/dbraw/zinc/69/88/61/429698861.db2.gz YXNWBEADQIWOJY-INIZCTEOSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459493232 429698864 /nfs/dbraw/zinc/69/88/64/429698864.db2.gz YXNWBEADQIWOJY-INIZCTEOSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cc(CC#N)ccn1)C2 ZINC000526008527 429695018 /nfs/dbraw/zinc/69/50/18/429695018.db2.gz JHRFZVADKOUXJL-ZDUSSCGKSA-N 1 2 323.400 2.738 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cc(CC#N)ccn1)CC2 ZINC000526008527 429695021 /nfs/dbraw/zinc/69/50/21/429695021.db2.gz JHRFZVADKOUXJL-ZDUSSCGKSA-N 1 2 323.400 2.738 20 30 DFEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459615148 429701174 /nfs/dbraw/zinc/70/11/74/429701174.db2.gz OPMUKXGLABUEBE-UHFFFAOYSA-N 1 2 310.401 2.842 20 30 DFEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000493229789 429717310 /nfs/dbraw/zinc/71/73/10/429717310.db2.gz VZPIWEGXIKZNQY-VOTSOKGWSA-N 1 2 319.286 2.610 20 30 DFEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000482437579 429726973 /nfs/dbraw/zinc/72/69/73/429726973.db2.gz KMIVFENXABEKGT-IUODEOHRSA-N 1 2 311.809 2.777 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000451190976 429784716 /nfs/dbraw/zinc/78/47/16/429784716.db2.gz QVBDRVQNNBKFKW-HNNXBMFYSA-N 1 2 303.381 2.594 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000451190976 429784719 /nfs/dbraw/zinc/78/47/19/429784719.db2.gz QVBDRVQNNBKFKW-HNNXBMFYSA-N 1 2 303.381 2.594 20 30 DFEDLO N#C[C@H]1CC[C@@H](NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493770349 429825949 /nfs/dbraw/zinc/82/59/49/429825949.db2.gz JDBYPWCHCNVRSU-FMQFUMSTSA-N 1 2 306.369 2.694 20 30 DFEDLO Cc1ccc(CNc2ccn(-c3ccc(C#N)cc3F)n2)c(C)[nH+]1 ZINC000368382151 429840647 /nfs/dbraw/zinc/84/06/47/429840647.db2.gz DQHUGHHREOVHPT-UHFFFAOYSA-N 1 2 321.359 3.507 20 30 DFEDLO CCC(C#N)(CC)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000528182347 429858596 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COCCSCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369295944 429923113 /nfs/dbraw/zinc/92/31/13/429923113.db2.gz ZONZIQCVBAWUJA-HOTGVXAUSA-N 1 2 312.479 2.683 20 30 DFEDLO N#CCC[N@H+](CC1CC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000369310950 429923431 /nfs/dbraw/zinc/92/34/31/429923431.db2.gz CUICYMTZNMFHDS-SFHVURJKSA-N 1 2 311.429 2.803 20 30 DFEDLO N#CCC[N@@H+](CC1CC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000369310950 429923432 /nfs/dbraw/zinc/92/34/32/429923432.db2.gz CUICYMTZNMFHDS-SFHVURJKSA-N 1 2 311.429 2.803 20 30 DFEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000639724617 429959354 /nfs/dbraw/zinc/95/93/54/429959354.db2.gz AZNSEVRKEPTENX-MNOVXSKESA-N 1 2 313.357 2.854 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C1=O ZINC000529556138 430029537 /nfs/dbraw/zinc/02/95/37/430029537.db2.gz LAMDSNZPSXEWFG-LLVKDONJSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C1=O ZINC000529556138 430029539 /nfs/dbraw/zinc/02/95/39/430029539.db2.gz 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ZINC000574248322 430025848 /nfs/dbraw/zinc/02/58/48/430025848.db2.gz IURKSBSWEKZYDA-IYBDPMFKSA-N 1 2 300.450 2.769 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000575827877 430099950 /nfs/dbraw/zinc/09/99/50/430099950.db2.gz KRBZQLRUQORSAG-UHFFFAOYSA-N 1 2 318.465 2.711 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000575827877 430099955 /nfs/dbraw/zinc/09/99/55/430099955.db2.gz KRBZQLRUQORSAG-UHFFFAOYSA-N 1 2 318.465 2.711 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000575827877 430099961 /nfs/dbraw/zinc/09/99/61/430099961.db2.gz KRBZQLRUQORSAG-UHFFFAOYSA-N 1 2 318.465 2.711 20 30 DFEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000576870163 430108583 /nfs/dbraw/zinc/10/85/83/430108583.db2.gz MKCOBUXJXLEYNP-UHFFFAOYSA-N 1 2 316.361 2.549 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000530334391 430112989 /nfs/dbraw/zinc/11/29/89/430112989.db2.gz CFJAYSDDNVFIRN-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000530334391 430112995 /nfs/dbraw/zinc/11/29/95/430112995.db2.gz CFJAYSDDNVFIRN-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO C=CCN1C(=O)N=NC1SCCCc1[nH]c2ccccc2[nH+]1 ZINC000574613362 430050796 /nfs/dbraw/zinc/05/07/96/430050796.db2.gz QTAOYPXQNZQVCJ-UHFFFAOYSA-N 1 2 315.402 2.771 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000575069946 430054192 /nfs/dbraw/zinc/05/41/92/430054192.db2.gz NHEMQVCJNOZKBW-DZGCQCFKSA-N 1 2 316.380 2.743 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000575183992 430055959 /nfs/dbraw/zinc/05/59/59/430055959.db2.gz WCPGZHUWROOKJU-UFPBRMSXSA-N 1 2 303.450 2.553 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000532124963 430150486 /nfs/dbraw/zinc/15/04/86/430150486.db2.gz TVCDUWNBZBLQLZ-CABCVRRESA-N 1 2 305.422 2.874 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000532124963 430150491 /nfs/dbraw/zinc/15/04/91/430150491.db2.gz TVCDUWNBZBLQLZ-CABCVRRESA-N 1 2 305.422 2.874 20 30 DFEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccccc1C(C)(C)C#N ZINC000532267975 430152744 /nfs/dbraw/zinc/15/27/44/430152744.db2.gz OAOBVDFEKVHVEP-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccccc1C(C)(C)C#N ZINC000532267975 430152748 /nfs/dbraw/zinc/15/27/48/430152748.db2.gz OAOBVDFEKVHVEP-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO CCSCc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577876388 430117623 /nfs/dbraw/zinc/11/76/23/430117623.db2.gz WEPPBRRZQDGIKC-MRXNPFEDSA-N 1 2 305.447 2.513 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(O)c1 ZINC000530905377 430126461 /nfs/dbraw/zinc/12/64/61/430126461.db2.gz YMNRIWQJAKPQJM-CYBMUJFWSA-N 1 2 309.369 2.723 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(O)c1 ZINC000530905377 430126464 /nfs/dbraw/zinc/12/64/64/430126464.db2.gz YMNRIWQJAKPQJM-CYBMUJFWSA-N 1 2 309.369 2.723 20 30 DFEDLO Cc1cccn2cc(CC(=O)N3CCCC(C)(C)[C@@H]3C#N)[nH+]c12 ZINC000562421395 430131607 /nfs/dbraw/zinc/13/16/07/430131607.db2.gz GSWODWHPMDGTMC-HNNXBMFYSA-N 1 2 310.401 2.726 20 30 DFEDLO COCC[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580569531 430136775 /nfs/dbraw/zinc/13/67/75/430136775.db2.gz UGRJTOPNBOFFRW-UHFFFAOYSA-N 1 2 315.329 2.708 20 30 DFEDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580569531 430136779 /nfs/dbraw/zinc/13/67/79/430136779.db2.gz UGRJTOPNBOFFRW-UHFFFAOYSA-N 1 2 315.329 2.708 20 30 DFEDLO N#Cc1cc(F)c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000531911561 430149473 /nfs/dbraw/zinc/14/94/73/430149473.db2.gz ZBKOUEJHZJUOCJ-JKSUJKDBSA-N 1 2 321.371 2.892 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563372667 430183826 /nfs/dbraw/zinc/18/38/26/430183826.db2.gz AETSWTOTMNDBNN-CQSZACIVSA-N 1 2 308.385 2.675 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563372667 430183829 /nfs/dbraw/zinc/18/38/29/430183829.db2.gz AETSWTOTMNDBNN-CQSZACIVSA-N 1 2 308.385 2.675 20 30 DFEDLO C=CCOc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1OC ZINC000565105232 430202778 /nfs/dbraw/zinc/20/27/78/430202778.db2.gz LASNAEWMRCGNOV-UHFFFAOYSA-N 1 2 315.373 2.648 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 ZINC000565752374 430224704 /nfs/dbraw/zinc/22/47/04/430224704.db2.gz QZBLKTOHGUSZKT-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 ZINC000565752374 430224707 /nfs/dbraw/zinc/22/47/07/430224707.db2.gz QZBLKTOHGUSZKT-WMLDXEAASA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@H](C4CCC4)C3)o2)cc1 ZINC000565467530 430214230 /nfs/dbraw/zinc/21/42/30/430214230.db2.gz UUGVSDLDEFPJDU-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@H](C4CCC4)C3)o2)cc1 ZINC000565467530 430214233 /nfs/dbraw/zinc/21/42/33/430214233.db2.gz UUGVSDLDEFPJDU-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO CC(C)Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000567475623 430284470 /nfs/dbraw/zinc/28/44/70/430284470.db2.gz QWXRTEUAUBEVLK-MRXNPFEDSA-N 1 2 323.824 2.701 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000566434019 430259862 /nfs/dbraw/zinc/25/98/62/430259862.db2.gz ZAKUWVIVQLEUSU-CYBMUJFWSA-N 1 2 308.385 2.651 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000566434019 430259868 /nfs/dbraw/zinc/25/98/68/430259868.db2.gz ZAKUWVIVQLEUSU-CYBMUJFWSA-N 1 2 308.385 2.651 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635403812 430269020 /nfs/dbraw/zinc/26/90/20/430269020.db2.gz BSDWXEGXWRJEJI-UHFFFAOYSA-N 1 2 301.365 2.869 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1CC1 ZINC000566675097 430271380 /nfs/dbraw/zinc/27/13/80/430271380.db2.gz CASMDPLFPJJAMF-HNNXBMFYSA-N 1 2 315.421 2.597 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(-c2ccc(F)cc2F)n1 ZINC000566660447 430271875 /nfs/dbraw/zinc/27/18/75/430271875.db2.gz 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Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C#N)CCc2ccccc2)[nH+]1 ZINC000583446003 430396335 /nfs/dbraw/zinc/39/63/35/430396335.db2.gz KCPNJSFODBJNNP-HNNXBMFYSA-N 1 2 310.401 2.842 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000568957420 430407514 /nfs/dbraw/zinc/40/75/14/430407514.db2.gz FIHTUDQGWHQMMH-JYJNAYRXSA-N 1 2 317.433 2.556 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000569351363 430446395 /nfs/dbraw/zinc/44/63/95/430446395.db2.gz AOFIAQVEDFRYON-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000569351363 430446400 /nfs/dbraw/zinc/44/64/00/430446400.db2.gz AOFIAQVEDFRYON-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000569138542 430426496 /nfs/dbraw/zinc/42/64/96/430426496.db2.gz XMGVFDWFJUQEBF-LLVKDONJSA-N 1 2 309.797 2.877 20 30 DFEDLO C=CCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000641834858 430485574 /nfs/dbraw/zinc/48/55/74/430485574.db2.gz DIPWCCAAVIMKJV-AWEZNQCLSA-N 1 2 302.353 2.856 20 30 DFEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)nc(C2CC2)n1 ZINC000601101371 430535466 /nfs/dbraw/zinc/53/54/66/430535466.db2.gz MAIXPJYFTBIMHS-UHFFFAOYSA-N 1 2 320.400 3.355 20 30 DFEDLO CC(C)(C)c1nc(NCc2cc(F)c(C#N)c(F)c2)cc[nH+]1 ZINC000603400185 430549454 /nfs/dbraw/zinc/54/94/54/430549454.db2.gz DYSCGRMCRDQZSC-UHFFFAOYSA-N 1 2 302.328 3.536 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000570736735 430573713 /nfs/dbraw/zinc/57/37/13/430573713.db2.gz MXRYXACPNNWJDP-VHSXEESVSA-N 1 2 324.768 2.857 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Cc2ccccc2)c1 ZINC000571288751 430617817 /nfs/dbraw/zinc/61/78/17/430617817.db2.gz HJNBSGJNALIBLZ-FQEVSTJZSA-N 1 2 321.424 2.851 20 30 DFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1C#N ZINC000286499589 278017107 /nfs/dbraw/zinc/01/71/07/278017107.db2.gz YCESYILNIQCWDA-OCCSQVGLSA-N 1 2 305.809 2.511 20 30 DFEDLO C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134079408 278370061 /nfs/dbraw/zinc/37/00/61/278370061.db2.gz HABILQMRXKIXBG-LRDDRELGSA-N 1 2 311.345 2.750 20 30 DFEDLO C[C@@](O)(C[NH2+]Cc1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000644585853 430760271 /nfs/dbraw/zinc/76/02/71/430760271.db2.gz XQIUPTNERBOYGQ-SNVBAGLBSA-N 1 2 305.193 2.646 20 30 DFEDLO C[C@@H]1CCN(c2c(C#N)nnc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000268288444 278556765 /nfs/dbraw/zinc/55/67/65/278556765.db2.gz UGHXHXWRDOKOPL-CXAGYDPISA-N 1 2 318.384 2.785 20 30 DFEDLO C=CCCCCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665255191 430872304 /nfs/dbraw/zinc/87/23/04/430872304.db2.gz LBNBQLIDLMWAFQ-CQSZACIVSA-N 1 2 322.453 2.525 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665866169 431054603 /nfs/dbraw/zinc/05/46/03/431054603.db2.gz DTOCEOCKVXVIMB-ZIAGYGMSSA-N 1 2 301.415 2.800 20 30 DFEDLO C=CCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000666003942 431090387 /nfs/dbraw/zinc/09/03/87/431090387.db2.gz PFPDSWKUUFQLNV-CQSZACIVSA-N 1 2 303.406 2.777 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000655820053 431168784 /nfs/dbraw/zinc/16/87/84/431168784.db2.gz QTZIYCMKTDJXQC-OAHLLOKOSA-N 1 2 314.389 2.511 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660070052 431257529 /nfs/dbraw/zinc/25/75/29/431257529.db2.gz NVQDGPHRBNJGOV-KRWDZBQOSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660070052 431257539 /nfs/dbraw/zinc/25/75/39/431257539.db2.gz NVQDGPHRBNJGOV-KRWDZBQOSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CCCCS(=O)(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000656185317 431295808 /nfs/dbraw/zinc/29/58/08/431295808.db2.gz VSPSIVQCBUNISZ-UHFFFAOYSA-N 1 2 317.480 2.693 20 30 DFEDLO C=CCOCCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000666516076 431261268 /nfs/dbraw/zinc/26/12/68/431261268.db2.gz XSYJPARKUCPZSZ-OAHLLOKOSA-N 1 2 320.437 2.732 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(OC3CCCC3)CC2)nn1 ZINC000653526502 431420009 /nfs/dbraw/zinc/42/00/09/431420009.db2.gz DDIMNPUFLSOBHM-UHFFFAOYSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)nn1 ZINC000653534365 431425192 /nfs/dbraw/zinc/42/51/92/431425192.db2.gz ILBPKFVFRPLFAQ-SFHVURJKSA-N 1 2 312.417 2.600 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)nn1 ZINC000653534365 431425198 /nfs/dbraw/zinc/42/51/98/431425198.db2.gz ILBPKFVFRPLFAQ-SFHVURJKSA-N 1 2 312.417 2.600 20 30 DFEDLO CC#CC[NH2+]Cc1cn(-c2ccc(F)c(C(F)(F)F)c2)nn1 ZINC000656442537 431386410 /nfs/dbraw/zinc/38/64/10/431386410.db2.gz QXHSODIBYOMXLF-UHFFFAOYSA-N 1 2 312.270 2.538 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)nn1 ZINC000653596722 431453677 /nfs/dbraw/zinc/45/36/77/431453677.db2.gz HTPPXJMMYMGBPF-INIZCTEOSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)nn1 ZINC000653596722 431453683 /nfs/dbraw/zinc/45/36/83/431453683.db2.gz HTPPXJMMYMGBPF-INIZCTEOSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2c(F)cccc2OC)nn1 ZINC000653606644 431456416 /nfs/dbraw/zinc/45/64/16/431456416.db2.gz WJBHGIWSSNFCPT-GFCCVEGCSA-N 1 2 304.369 2.853 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](n3nc(C)cc3C)C2)nn1 ZINC000653552247 431430451 /nfs/dbraw/zinc/43/04/51/431430451.db2.gz NFPHWSANOBKUHZ-KRWDZBQOSA-N 1 2 314.437 2.505 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](n3nc(C)cc3C)C2)nn1 ZINC000653552247 431430457 /nfs/dbraw/zinc/43/04/57/431430457.db2.gz NFPHWSANOBKUHZ-KRWDZBQOSA-N 1 2 314.437 2.505 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)C2(CCCCC2)C1 ZINC000653724922 431502902 /nfs/dbraw/zinc/50/29/02/431502902.db2.gz SQEOENUJYYHMHX-QGZVFWFLSA-N 1 2 319.493 2.526 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000653724922 431502911 /nfs/dbraw/zinc/50/29/11/431502911.db2.gz SQEOENUJYYHMHX-QGZVFWFLSA-N 1 2 319.493 2.526 20 30 DFEDLO C=C[C@H]1CCCCN1c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663851437 431566803 /nfs/dbraw/zinc/56/68/03/431566803.db2.gz AKNFVZLHCXKDEW-NSHDSACASA-N 1 2 300.410 2.708 20 30 DFEDLO C=CCN1CC[C@H](N(C)c2cc(C(F)(F)F)cc(C)[nH+]2)C1=O ZINC000663872291 431574807 /nfs/dbraw/zinc/57/48/07/431574807.db2.gz PZBFGAVLEHGTSI-LBPRGKRZSA-N 1 2 313.323 2.632 20 30 DFEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)nn1 ZINC000653904015 431578621 /nfs/dbraw/zinc/57/86/21/431578621.db2.gz NERALOLSRLRJGX-OAHLLOKOSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)nn1 ZINC000653904015 431578626 /nfs/dbraw/zinc/57/86/26/431578626.db2.gz NERALOLSRLRJGX-OAHLLOKOSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000660938983 431670872 /nfs/dbraw/zinc/67/08/72/431670872.db2.gz SPTXFPFUVWEZQC-HUUCEWRRSA-N 1 2 302.422 2.758 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCn2cc[nH+]c2C1 ZINC000360976841 280525745 /nfs/dbraw/zinc/52/57/45/280525745.db2.gz WQDAEYYIKMMBRE-UHFFFAOYSA-N 1 2 307.332 2.771 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660966573 431681270 /nfs/dbraw/zinc/68/12/70/431681270.db2.gz FBRUHQGUKKAPEO-LSDHHAIUSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660966573 431681275 /nfs/dbraw/zinc/68/12/75/431681275.db2.gz FBRUHQGUKKAPEO-LSDHHAIUSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2COc3c2cccc3Cl)nn1 ZINC000657394151 431724576 /nfs/dbraw/zinc/72/45/76/431724576.db2.gz KKMOBDNMBVKHHU-AWEZNQCLSA-N 1 2 304.781 2.731 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661156128 431755970 /nfs/dbraw/zinc/75/59/70/431755970.db2.gz VQVPCCCLSHZNAH-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000661156128 431755974 /nfs/dbraw/zinc/75/59/74/431755974.db2.gz VQVPCCCLSHZNAH-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OCC)nn1 ZINC000657393043 431722727 /nfs/dbraw/zinc/72/27/27/431722727.db2.gz JOMMOJAKJOFNRJ-UHFFFAOYSA-N 1 2 300.406 2.851 20 30 DFEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)COC ZINC000661244183 431791750 /nfs/dbraw/zinc/79/17/50/431791750.db2.gz RACYSEBKRWIJRF-CYBMUJFWSA-N 1 2 320.824 2.944 20 30 DFEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)COC ZINC000661244183 431791757 /nfs/dbraw/zinc/79/17/57/431791757.db2.gz RACYSEBKRWIJRF-CYBMUJFWSA-N 1 2 320.824 2.944 20 30 DFEDLO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc(OC)c1O ZINC000657568839 431812987 /nfs/dbraw/zinc/81/29/87/431812987.db2.gz LQXIMBQPMITVQM-BXUZGUMPSA-N 1 2 314.389 2.516 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661325983 431823555 /nfs/dbraw/zinc/82/35/55/431823555.db2.gz NSTJPVWLKBTSKA-GOEBONIOSA-N 1 2 312.417 2.968 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCOC2)O1 ZINC000368444137 281246486 /nfs/dbraw/zinc/24/64/86/281246486.db2.gz BGFZYVOBJUGSLO-QGZVFWFLSA-N 1 2 320.820 2.982 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCOC2)O1 ZINC000368444137 281246487 /nfs/dbraw/zinc/24/64/87/281246487.db2.gz BGFZYVOBJUGSLO-QGZVFWFLSA-N 1 2 320.820 2.982 20 30 DFEDLO C=CCCCS(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292471679 335090385 /nfs/dbraw/zinc/09/03/85/335090385.db2.gz CKUZPFLVIKGEFU-OAHLLOKOSA-N 1 2 319.430 2.727 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(C#N)cc1Br)C2 ZINC000362467242 294465915 /nfs/dbraw/zinc/46/59/15/294465915.db2.gz SSVFUPBATPNQFK-UHFFFAOYSA-N 1 2 317.190 2.617 20 30 DFEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(F)c(C#N)c1 ZINC000154345324 295297699 /nfs/dbraw/zinc/29/76/99/295297699.db2.gz WTNFKBFWVVDLRX-UHFFFAOYSA-N 1 2 323.331 2.774 20 30 DFEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(F)c(C#N)c1 ZINC000154345324 295297701 /nfs/dbraw/zinc/29/77/01/295297701.db2.gz WTNFKBFWVVDLRX-UHFFFAOYSA-N 1 2 323.331 2.774 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000535980671 301266287 /nfs/dbraw/zinc/26/62/87/301266287.db2.gz ORXOYRKKNBULFS-UHFFFAOYSA-N 1 2 319.364 2.849 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000535980671 301266290 /nfs/dbraw/zinc/26/62/90/301266290.db2.gz ORXOYRKKNBULFS-UHFFFAOYSA-N 1 2 319.364 2.849 20 30 DFEDLO N#Cc1cnccc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000547361255 301528360 /nfs/dbraw/zinc/52/83/60/301528360.db2.gz HXDIZKYGSNDLNT-UHFFFAOYSA-N 1 2 317.396 2.817 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000551810456 301667986 /nfs/dbraw/zinc/66/79/86/301667986.db2.gz SYARWSKUABMEOW-INIZCTEOSA-N 1 2 321.384 2.532 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nc(-c2cccc(F)c2)no1 ZINC000554523662 301741284 /nfs/dbraw/zinc/74/12/84/301741284.db2.gz RJKOVZFQDWKLDB-NSHDSACASA-N 1 2 323.331 2.993 20 30 DFEDLO CCN1CCN(c2cccc(Cl)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000556214609 301789230 /nfs/dbraw/zinc/78/92/30/301789230.db2.gz RHZGJLDWVWCKRY-OAHLLOKOSA-N 1 2 315.808 2.818 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000560706726 301911255 /nfs/dbraw/zinc/91/12/55/301911255.db2.gz LNBQXUBEKQGOPA-UHFFFAOYSA-N 1 2 319.368 2.737 20 30 DFEDLO N#Cc1cncnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000561882919 301945523 /nfs/dbraw/zinc/94/55/23/301945523.db2.gz PAKRFGDPXMNUBF-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000563285576 302058911 /nfs/dbraw/zinc/05/89/11/302058911.db2.gz NQKXQRPNDMDOIS-CAPXZKIUSA-N 1 2 306.369 2.680 20 30 DFEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000564089885 302118226 /nfs/dbraw/zinc/11/82/26/302118226.db2.gz JSQBTUYNOIMPFE-GJZGRUSLSA-N 1 2 303.362 2.856 20 30 DFEDLO Cn1c2ccc(CNc3nccnc3C#N)cc2[nH+]c1C1CC1 ZINC000565226756 302210189 /nfs/dbraw/zinc/21/01/89/302210189.db2.gz MYLQANPRUWWPPC-UHFFFAOYSA-N 1 2 304.357 2.724 20 30 DFEDLO N#Cc1c(NCc2cn3c([nH+]2)CCCC3)cccc1-n1cccn1 ZINC000565429994 302225178 /nfs/dbraw/zinc/22/51/78/302225178.db2.gz BNAUWSRXRDKLCU-UHFFFAOYSA-N 1 2 318.384 2.889 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc1 ZINC000565900550 302248345 /nfs/dbraw/zinc/24/83/45/302248345.db2.gz MBGZLRKVEMYLIO-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc1 ZINC000565900550 302248349 /nfs/dbraw/zinc/24/83/49/302248349.db2.gz MBGZLRKVEMYLIO-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CCO2 ZINC000566884166 302319020 /nfs/dbraw/zinc/31/90/20/302319020.db2.gz BEAIUCRLBHANDI-ZDUSSCGKSA-N 1 2 301.371 2.637 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC(=O)CC12CCC2 ZINC000567058852 302332742 /nfs/dbraw/zinc/33/27/42/302332742.db2.gz HCQXCBMZBHXBAE-UHFFFAOYSA-N 1 2 314.385 2.533 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC(=O)CC12CCC2 ZINC000567058852 302332745 /nfs/dbraw/zinc/33/27/45/302332745.db2.gz HCQXCBMZBHXBAE-UHFFFAOYSA-N 1 2 314.385 2.533 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000571975477 302638953 /nfs/dbraw/zinc/63/89/53/302638953.db2.gz WMJSVXWGPWBBGC-ZANVPECISA-N 1 2 300.749 2.844 20 30 DFEDLO Cc1csc(NC(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000573978507 302733924 /nfs/dbraw/zinc/73/39/24/302733924.db2.gz AZQSMQASPKEFHS-UHFFFAOYSA-N 1 2 303.391 2.727 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000574109597 302740999 /nfs/dbraw/zinc/74/09/99/302740999.db2.gz GHHRLEPRSIKXDD-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000571832919 317992145 /nfs/dbraw/zinc/99/21/45/317992145.db2.gz ZGQCTYPWNTWQOV-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCOc1cc(C)ccc1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000576476931 318129554 /nfs/dbraw/zinc/12/95/54/318129554.db2.gz PGDKLJXOTXRSJC-CYBMUJFWSA-N 1 2 311.389 2.616 20 30 DFEDLO Cc1cccn2cc(Cc3noc(-c4ccc(C#N)cn4)n3)[nH+]c12 ZINC000576980994 318163454 /nfs/dbraw/zinc/16/34/54/318163454.db2.gz YPLWGMMBEDVMAF-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)nc1 ZINC000578663685 318276814 /nfs/dbraw/zinc/27/68/14/318276814.db2.gz JKMUVSQURNFVAS-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)nc1 ZINC000578663685 318276816 /nfs/dbraw/zinc/27/68/16/318276816.db2.gz JKMUVSQURNFVAS-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1Cl ZINC000580993557 323460508 /nfs/dbraw/zinc/46/05/08/323460508.db2.gz PYRXBHAXYFGFET-UHFFFAOYSA-N 1 2 300.749 2.997 20 30 DFEDLO Cn1c2ccc(CNc3cc(CC#N)cc[nH+]3)cc2sc1=O ZINC000556328964 331668542 /nfs/dbraw/zinc/66/85/42/331668542.db2.gz WTLDIOADLBRPBD-UHFFFAOYSA-N 1 2 310.382 2.673 20 30 DFEDLO N#CC1(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000075969477 331672132 /nfs/dbraw/zinc/67/21/32/331672132.db2.gz CCMOUJZXXMFDAL-UHFFFAOYSA-N 1 2 317.355 2.603 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000054183433 331770860 /nfs/dbraw/zinc/77/08/60/331770860.db2.gz RRHZNQDVLUHWQJ-JTQLQIEISA-N 1 2 311.179 2.960 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000569499564 332108489 /nfs/dbraw/zinc/10/84/89/332108489.db2.gz DFIGMTWWXILWPF-QMTHXVAHSA-N 1 2 309.772 2.866 20 30 DFEDLO Cc1cccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000092821819 332131369 /nfs/dbraw/zinc/13/13/69/332131369.db2.gz CXIRVAQWAFCQNL-HXUWFJFHSA-N 1 2 323.440 2.893 20 30 DFEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000092821819 332131370 /nfs/dbraw/zinc/13/13/70/332131370.db2.gz CXIRVAQWAFCQNL-HXUWFJFHSA-N 1 2 323.440 2.893 20 30 DFEDLO C=CCCCCC[N@@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000150888805 332197911 /nfs/dbraw/zinc/19/79/11/332197911.db2.gz GBUSCMIUMKHRBT-UHFFFAOYSA-N 1 2 321.446 2.687 20 30 DFEDLO C=CCCCCC[N@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000150888805 332197912 /nfs/dbraw/zinc/19/79/12/332197912.db2.gz GBUSCMIUMKHRBT-UHFFFAOYSA-N 1 2 321.446 2.687 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152391509 332283551 /nfs/dbraw/zinc/28/35/51/332283551.db2.gz WEXDIHMTLMCFGD-UONOGXRCSA-N 1 2 323.799 2.890 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152391509 332283553 /nfs/dbraw/zinc/28/35/53/332283553.db2.gz WEXDIHMTLMCFGD-UONOGXRCSA-N 1 2 323.799 2.890 20 30 DFEDLO C=CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000448034393 332312560 /nfs/dbraw/zinc/31/25/60/332312560.db2.gz ICFUYDHTOUEHAR-FLIBITNWSA-N 1 2 313.445 2.993 20 30 DFEDLO C=CCCCS(=O)(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000293154944 335100744 /nfs/dbraw/zinc/10/07/44/335100744.db2.gz XDBRQHYTEYBREA-UHFFFAOYSA-N 1 2 321.446 2.620 20 30 DFEDLO COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OC ZINC000114500756 332327829 /nfs/dbraw/zinc/32/78/29/332327829.db2.gz ZGWRYMZLRRGETG-VXGBXAGGSA-N 1 2 305.353 2.937 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1F ZINC000120574317 332387554 /nfs/dbraw/zinc/38/75/54/332387554.db2.gz PGDVBZSVHMOGJD-OAHLLOKOSA-N 1 2 317.408 2.822 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1F ZINC000120574317 332387555 /nfs/dbraw/zinc/38/75/55/332387555.db2.gz PGDVBZSVHMOGJD-OAHLLOKOSA-N 1 2 317.408 2.822 20 30 DFEDLO CCOC(=O)[C@@H]1CC[C@H](/[NH+]=C/c2cccc(OCC)c2O)C1 ZINC000121556579 332396981 /nfs/dbraw/zinc/39/69/81/332396981.db2.gz WEQMZUUIVCJIEQ-XAXRJAIVSA-N 1 2 305.374 2.942 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000153681766 332406033 /nfs/dbraw/zinc/40/60/33/332406033.db2.gz KVWSPHMLIWLPLD-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C#CCC(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000185168901 335119656 /nfs/dbraw/zinc/11/96/56/335119656.db2.gz VTCBBCIJQUQAEO-UHFFFAOYSA-N 1 2 313.445 2.984 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000294389781 335121784 /nfs/dbraw/zinc/12/17/84/335121784.db2.gz BYPLHONCVJDZGF-CYBMUJFWSA-N 1 2 310.419 2.659 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000294389781 335121785 /nfs/dbraw/zinc/12/17/85/335121785.db2.gz BYPLHONCVJDZGF-CYBMUJFWSA-N 1 2 310.419 2.659 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000177526109 333129686 /nfs/dbraw/zinc/12/96/86/333129686.db2.gz SDJQZSQMQJCCSN-WMLDXEAASA-N 1 2 308.385 2.672 20 30 DFEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)cs1 ZINC000177612739 333130542 /nfs/dbraw/zinc/13/05/42/333130542.db2.gz WLUCNFFGGKOHQJ-MNOVXSKESA-N 1 2 315.439 2.700 20 30 DFEDLO N#CCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000178387793 333137802 /nfs/dbraw/zinc/13/78/02/333137802.db2.gz HVXKLBOQOQBLPH-UHFFFAOYSA-N 1 2 307.397 2.975 20 30 DFEDLO N#CCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000178387793 333137803 /nfs/dbraw/zinc/13/78/03/333137803.db2.gz HVXKLBOQOQBLPH-UHFFFAOYSA-N 1 2 307.397 2.975 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1OCCCC#N ZINC000179868224 333155884 /nfs/dbraw/zinc/15/58/84/333155884.db2.gz CMHSJMPTUYLMLG-AWEZNQCLSA-N 1 2 304.390 2.598 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1OCCCC#N ZINC000179868224 333155886 /nfs/dbraw/zinc/15/58/86/333155886.db2.gz CMHSJMPTUYLMLG-AWEZNQCLSA-N 1 2 304.390 2.598 20 30 DFEDLO C=CC(C)(C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000294612629 335126402 /nfs/dbraw/zinc/12/64/02/335126402.db2.gz SACJNHQCUQOCIL-UHFFFAOYSA-N 1 2 301.434 2.585 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000183909808 333189418 /nfs/dbraw/zinc/18/94/18/333189418.db2.gz NZIHZZIPCMKZIG-HOTGVXAUSA-N 1 2 317.458 2.585 20 30 DFEDLO N#C[C@@H]1N(Cc2cn3ccccc3[nH+]2)CCC[C@@]12CCCCO2 ZINC000363919699 333202094 /nfs/dbraw/zinc/20/20/94/333202094.db2.gz AHRQFBJRAAYZFY-WMZOPIPTSA-N 1 2 310.401 2.762 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(-c2cnn(C)c2)no1 ZINC000185017181 333203617 /nfs/dbraw/zinc/20/36/17/333203617.db2.gz VSGQVAVESVHWRA-UHFFFAOYSA-N 1 2 301.394 2.837 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(-c2cnn(C)c2)no1 ZINC000185017181 333203618 /nfs/dbraw/zinc/20/36/18/333203618.db2.gz VSGQVAVESVHWRA-UHFFFAOYSA-N 1 2 301.394 2.837 20 30 DFEDLO CN(C)C(=O)COc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185725360 333212670 /nfs/dbraw/zinc/21/26/70/333212670.db2.gz HDOOLVDQSZYLKY-ZFWWWQNUSA-N 1 2 301.390 2.648 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000187395677 333231709 /nfs/dbraw/zinc/23/17/09/333231709.db2.gz HEKFOHBJXWDZES-GFCCVEGCSA-N 1 2 314.838 2.915 20 30 DFEDLO C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949876 335129160 /nfs/dbraw/zinc/12/91/60/335129160.db2.gz INGLHPGLNRKPQS-AZUAARDMSA-N 1 2 313.489 2.584 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189802118 333263133 /nfs/dbraw/zinc/26/31/33/333263133.db2.gz APYXSZFJSWSUNU-IUODEOHRSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189802118 333263135 /nfs/dbraw/zinc/26/31/35/333263135.db2.gz APYXSZFJSWSUNU-IUODEOHRSA-N 1 2 320.462 2.597 20 30 DFEDLO C[C@@H](CCN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000191055993 333277312 /nfs/dbraw/zinc/27/73/12/333277312.db2.gz XWDTXKIVUDFFJA-SFHVURJKSA-N 1 2 315.461 2.728 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000364362080 333299929 /nfs/dbraw/zinc/29/99/29/333299929.db2.gz VCZLKGWPSXXGSE-UHFFFAOYSA-N 1 2 318.465 2.855 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000364362080 333299931 /nfs/dbraw/zinc/29/99/31/333299931.db2.gz VCZLKGWPSXXGSE-UHFFFAOYSA-N 1 2 318.465 2.855 20 30 DFEDLO C=CCCCC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000364362080 333299933 /nfs/dbraw/zinc/29/99/33/333299933.db2.gz VCZLKGWPSXXGSE-UHFFFAOYSA-N 1 2 318.465 2.855 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000497994231 333318613 /nfs/dbraw/zinc/31/86/13/333318613.db2.gz MXOLFJUUJHAMIZ-XJKSGUPXSA-N 1 2 301.434 2.962 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000497994231 333318615 /nfs/dbraw/zinc/31/86/15/333318615.db2.gz MXOLFJUUJHAMIZ-XJKSGUPXSA-N 1 2 301.434 2.962 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C#N)CC1 ZINC000195311452 333322271 /nfs/dbraw/zinc/32/22/71/333322271.db2.gz WKWMEGKAKSAYQC-SWKXRBFHSA-N 1 2 316.449 2.541 20 30 DFEDLO C#CC[C@@H](NC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000364695653 333329584 /nfs/dbraw/zinc/32/95/84/333329584.db2.gz KQEIUQPWMFMAAU-DOTOQJQBSA-N 1 2 322.412 2.509 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364896177 333332745 /nfs/dbraw/zinc/33/27/45/333332745.db2.gz ORLAIKRZEKHNOU-HOTGVXAUSA-N 1 2 308.385 2.607 20 30 DFEDLO N#CCC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000365284217 333401661 /nfs/dbraw/zinc/40/16/61/333401661.db2.gz YJMQHEMOKLYMSW-QGZVFWFLSA-N 1 2 303.450 2.793 20 30 DFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366000926 333481360 /nfs/dbraw/zinc/48/13/60/333481360.db2.gz NSDUCBULLJLQAK-LBPRGKRZSA-N 1 2 313.332 2.619 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000366171180 333500197 /nfs/dbraw/zinc/50/01/97/333500197.db2.gz HQMUDVVNUXRQLU-IBGZPJMESA-N 1 2 322.383 2.523 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000411218054 333644317 /nfs/dbraw/zinc/64/43/17/333644317.db2.gz NFTOADOYAQBDKR-LBPRGKRZSA-N 1 2 323.799 2.929 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966132 335155553 /nfs/dbraw/zinc/15/55/53/335155553.db2.gz BXUOSWYKCZYQJW-JKSUJKDBSA-N 1 2 320.383 2.876 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966132 335155554 /nfs/dbraw/zinc/15/55/54/335155554.db2.gz BXUOSWYKCZYQJW-JKSUJKDBSA-N 1 2 320.383 2.876 20 30 DFEDLO C=CCC1(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000413620917 333860816 /nfs/dbraw/zinc/86/08/16/333860816.db2.gz XOPFNRLDFZNBDW-UHFFFAOYSA-N 1 2 323.481 2.533 20 30 DFEDLO N#CCCCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264139660 333953546 /nfs/dbraw/zinc/95/35/46/333953546.db2.gz PWHWTIDGONLMCS-UHFFFAOYSA-N 1 2 321.450 2.944 20 30 DFEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266243613 333972587 /nfs/dbraw/zinc/97/25/87/333972587.db2.gz XWGSDLNWKSSKJU-CQSZACIVSA-N 1 2 321.421 2.592 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000267008361 333978016 /nfs/dbraw/zinc/97/80/16/333978016.db2.gz LEXJNPZEHNQJPZ-JTQLQIEISA-N 1 2 313.329 2.584 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000274179626 334056406 /nfs/dbraw/zinc/05/64/06/334056406.db2.gz MBBDLPBHNORRBJ-CYBMUJFWSA-N 1 2 303.431 2.647 20 30 DFEDLO COCCN(C)c1ccc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000276727182 334084821 /nfs/dbraw/zinc/08/48/21/334084821.db2.gz GJEGRFCWIFFBKG-UHFFFAOYSA-N 1 2 318.465 2.926 20 30 DFEDLO COCCN(C)c1ccc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000276727182 334084822 /nfs/dbraw/zinc/08/48/22/334084822.db2.gz GJEGRFCWIFFBKG-UHFFFAOYSA-N 1 2 318.465 2.926 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000278692779 334099932 /nfs/dbraw/zinc/09/99/32/334099932.db2.gz FDDQXHPTERPYIY-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO CC(C)(C#N)CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000278818585 334101657 /nfs/dbraw/zinc/10/16/57/334101657.db2.gz PFRKICVBJHWFBX-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278810216 334101698 /nfs/dbraw/zinc/10/16/98/334101698.db2.gz HJBRZJJGHKAKFJ-UONOGXRCSA-N 1 2 302.353 2.507 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278810216 334101699 /nfs/dbraw/zinc/10/16/99/334101699.db2.gz HJBRZJJGHKAKFJ-UONOGXRCSA-N 1 2 302.353 2.507 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281134611 334123200 /nfs/dbraw/zinc/12/32/00/334123200.db2.gz AAFKXZCPVXHRFD-INIZCTEOSA-N 1 2 316.401 2.591 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2cccc(Cl)c2)n1)[C@H]1CCCO1 ZINC000283957305 334142021 /nfs/dbraw/zinc/14/20/21/334142021.db2.gz FXXCTAUFIDHGGX-CYBMUJFWSA-N 1 2 321.764 2.963 20 30 DFEDLO NC(=[NH+]OCc1ccc(Cl)c2cccnc12)[C@@H]1CCCO1 ZINC000284524813 334143861 /nfs/dbraw/zinc/14/38/61/334143861.db2.gz UTQNYBBROAWVRO-ZDUSSCGKSA-N 1 2 305.765 2.856 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000284837522 334144580 /nfs/dbraw/zinc/14/45/80/334144580.db2.gz BPGJPTSYJBCWIF-QGZVFWFLSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000285021384 334145147 /nfs/dbraw/zinc/14/51/47/334145147.db2.gz HMDPPLNEOOOUHU-INIZCTEOSA-N 1 2 300.337 2.567 20 30 DFEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+]CCC(C)(C)C#N ZINC000288757546 334162024 /nfs/dbraw/zinc/16/20/24/334162024.db2.gz RWJRBVGTSVDTES-MRXNPFEDSA-N 1 2 315.417 2.956 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292058898 334184092 /nfs/dbraw/zinc/18/40/92/334184092.db2.gz BWLQCJIKVVGTNN-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292058898 334184094 /nfs/dbraw/zinc/18/40/94/334184094.db2.gz BWLQCJIKVVGTNN-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(COC)CCOCC2)c1 ZINC000292172470 334185167 /nfs/dbraw/zinc/18/51/67/334185167.db2.gz XITYBDFVEHULSY-WOJGMQOQSA-N 1 2 307.390 2.653 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000292341064 334186928 /nfs/dbraw/zinc/18/69/28/334186928.db2.gz WYZGUCNNLWLFLB-IEBWSBKVSA-N 1 2 314.429 2.843 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000292341064 334186930 /nfs/dbraw/zinc/18/69/30/334186930.db2.gz WYZGUCNNLWLFLB-IEBWSBKVSA-N 1 2 314.429 2.843 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000292337026 334186990 /nfs/dbraw/zinc/18/69/90/334186990.db2.gz WSRJVGKJNJWTLR-RISCZKNCSA-N 1 2 322.206 2.516 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(C)C ZINC000292392849 334187533 /nfs/dbraw/zinc/18/75/33/334187533.db2.gz ZVPXSQVIQJFIJW-MRXNPFEDSA-N 1 2 302.418 2.951 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(C)C ZINC000292392849 334187535 /nfs/dbraw/zinc/18/75/35/334187535.db2.gz ZVPXSQVIQJFIJW-MRXNPFEDSA-N 1 2 302.418 2.951 20 30 DFEDLO CC1CCN(c2ccc(CNC(=O)CCCC#N)c[nH+]2)CC1 ZINC000292699018 334190971 /nfs/dbraw/zinc/19/09/71/334190971.db2.gz RWMJECLZEADLGE-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292919021 334194125 /nfs/dbraw/zinc/19/41/25/334194125.db2.gz XTZSRLIHAAZQLW-SFHVURJKSA-N 1 2 313.376 2.540 20 30 DFEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292919021 334194126 /nfs/dbraw/zinc/19/41/26/334194126.db2.gz XTZSRLIHAAZQLW-SFHVURJKSA-N 1 2 313.376 2.540 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1c[nH+]ccc1OC ZINC000294450784 334209790 /nfs/dbraw/zinc/20/97/90/334209790.db2.gz HJERHBRZLCUHOV-HNNXBMFYSA-N 1 2 307.394 2.678 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@]3(C#N)CC34CCCC4)cn2c1 ZINC000294575586 334211147 /nfs/dbraw/zinc/21/11/47/334211147.db2.gz PMJQHLYYQGGIIN-SFHVURJKSA-N 1 2 308.385 2.733 20 30 DFEDLO N#CC1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000298738788 334250931 /nfs/dbraw/zinc/25/09/31/334250931.db2.gz QQUWIONHPNZPHY-UHFFFAOYSA-N 1 2 308.385 2.888 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000299226205 334254156 /nfs/dbraw/zinc/25/41/56/334254156.db2.gz NOSJPFOENMRKNM-WCQYABFASA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000299226205 334254158 /nfs/dbraw/zinc/25/41/58/334254158.db2.gz NOSJPFOENMRKNM-WCQYABFASA-N 1 2 316.323 2.537 20 30 DFEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000299388933 334255253 /nfs/dbraw/zinc/25/52/53/334255253.db2.gz QRSJMYMUEJRFHQ-GOSISDBHSA-N 1 2 317.408 2.845 20 30 DFEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000299388933 334255254 /nfs/dbraw/zinc/25/52/54/334255254.db2.gz QRSJMYMUEJRFHQ-GOSISDBHSA-N 1 2 317.408 2.845 20 30 DFEDLO N#CC1(C[NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000341987416 334503451 /nfs/dbraw/zinc/50/34/51/334503451.db2.gz GVLTWLMQVVNVHE-UHFFFAOYSA-N 1 2 320.234 2.875 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342633230 334556446 /nfs/dbraw/zinc/55/64/46/334556446.db2.gz FXHMLDOGBNJZHO-QWHCGFSZSA-N 1 2 304.438 2.759 20 30 DFEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(C(F)F)CC1 ZINC000328601941 334748087 /nfs/dbraw/zinc/74/80/87/334748087.db2.gz GJUVRSAPWUIZKN-GFCCVEGCSA-N 1 2 312.364 2.652 20 30 DFEDLO CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)[C@@H]1CCCO1 ZINC000328865136 334761735 /nfs/dbraw/zinc/76/17/35/334761735.db2.gz NEJMRVRUKGWKEB-KKUMJFAQSA-N 1 2 320.437 2.530 20 30 DFEDLO Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328916363 334768256 /nfs/dbraw/zinc/76/82/56/334768256.db2.gz AKNSIOUOZOTNST-MFKMUULPSA-N 1 2 302.378 2.811 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCC(C)(C)C[C@@H](C)O)cc2n1C ZINC000331079680 334833797 /nfs/dbraw/zinc/83/37/97/334833797.db2.gz XDEJQIQVGBXHMX-LLVKDONJSA-N 1 2 303.406 2.983 20 30 DFEDLO CCc1ccc(CC)c(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000331252292 334851572 /nfs/dbraw/zinc/85/15/72/334851572.db2.gz QEDPHDTUQRLWOZ-CQSZACIVSA-N 1 2 319.449 2.858 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331360493 334858438 /nfs/dbraw/zinc/85/84/38/334858438.db2.gz XWRACEJZBAKQRK-MJBXVCDLSA-N 1 2 301.390 2.613 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190892802 335253680 /nfs/dbraw/zinc/25/36/80/335253680.db2.gz BCHCNNHIPPJQBM-ZDUSSCGKSA-N 1 2 321.852 2.962 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190892802 335253682 /nfs/dbraw/zinc/25/36/82/335253682.db2.gz BCHCNNHIPPJQBM-ZDUSSCGKSA-N 1 2 321.852 2.962 20 30 DFEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000345819686 335353188 /nfs/dbraw/zinc/35/31/88/335353188.db2.gz SISYVJUGEXJXMI-CHWSQXEVSA-N 1 2 305.809 2.705 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000345938891 335362428 /nfs/dbraw/zinc/36/24/28/335362428.db2.gz STRNDJKQASKVAX-UHFFFAOYSA-N 1 2 314.404 2.510 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000345938891 335362429 /nfs/dbraw/zinc/36/24/29/335362429.db2.gz STRNDJKQASKVAX-UHFFFAOYSA-N 1 2 314.404 2.510 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000366984646 335484591 /nfs/dbraw/zinc/48/45/91/335484591.db2.gz XKFHFQOYGJCQCT-GFCCVEGCSA-N 1 2 313.430 2.860 20 30 DFEDLO CCO[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C12CCC2 ZINC000329076940 335937427 /nfs/dbraw/zinc/93/74/27/335937427.db2.gz AZDPZYYTRDWVQN-LSDHHAIUSA-N 1 2 322.449 2.546 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000329376912 335969523 /nfs/dbraw/zinc/96/95/23/335969523.db2.gz LZCNHPXXBVGISO-AWEZNQCLSA-N 1 2 320.437 2.648 20 30 DFEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329449261 335977298 /nfs/dbraw/zinc/97/72/98/335977298.db2.gz LGVIPSBRVIGMKQ-RRFJBIMHSA-N 1 2 305.422 2.996 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@@]13CCOC3)C2 ZINC000329617464 336010936 /nfs/dbraw/zinc/01/09/36/336010936.db2.gz FWGMTUAXIAVDID-ZJNRKIDTSA-N 1 2 317.433 2.879 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1)CCC2 ZINC000329652491 336028592 /nfs/dbraw/zinc/02/85/92/336028592.db2.gz DJXOXETWWCJSBH-WXHSDQCUSA-N 1 2 304.394 2.780 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1noc(C)c1C(=O)OCC ZINC000351591843 336048002 /nfs/dbraw/zinc/04/80/02/336048002.db2.gz HVZPQDCSXIPGPC-UHFFFAOYSA-N 1 2 318.373 2.983 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1noc(C)c1C(=O)OCC ZINC000351591843 336048003 /nfs/dbraw/zinc/04/80/03/336048003.db2.gz HVZPQDCSXIPGPC-UHFFFAOYSA-N 1 2 318.373 2.983 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000329748735 336076693 /nfs/dbraw/zinc/07/66/93/336076693.db2.gz TWXSROKSJXKPBI-BRXULGCHSA-N 1 2 302.422 2.692 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329751508 336078085 /nfs/dbraw/zinc/07/80/85/336078085.db2.gz VRFBWTYJRCTDOS-CHWSQXEVSA-N 1 2 322.478 2.789 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329751508 336078088 /nfs/dbraw/zinc/07/80/88/336078088.db2.gz VRFBWTYJRCTDOS-CHWSQXEVSA-N 1 2 322.478 2.789 20 30 DFEDLO Cc1ncoc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329965823 336100761 /nfs/dbraw/zinc/10/07/61/336100761.db2.gz RJJQDTBBGXOGJE-LLVKDONJSA-N 1 2 302.378 2.797 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000330030939 336107857 /nfs/dbraw/zinc/10/78/57/336107857.db2.gz SIBNROFFIKUIPU-CQSZACIVSA-N 1 2 310.401 2.733 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1Cc2ccccc2C2(CC2)C1 ZINC000330030939 336107858 /nfs/dbraw/zinc/10/78/58/336107858.db2.gz SIBNROFFIKUIPU-CQSZACIVSA-N 1 2 310.401 2.733 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330146807 336117949 /nfs/dbraw/zinc/11/79/49/336117949.db2.gz IDMXVJBOBHNZGM-UGQLVKOPSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330146807 336117951 /nfs/dbraw/zinc/11/79/51/336117951.db2.gz IDMXVJBOBHNZGM-UGQLVKOPSA-N 1 2 324.465 2.790 20 30 DFEDLO CSC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000330221483 336126067 /nfs/dbraw/zinc/12/60/67/336126067.db2.gz RCMVTFHGFHYXJQ-KGLIPLIRSA-N 1 2 322.478 2.750 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330233452 336127902 /nfs/dbraw/zinc/12/79/02/336127902.db2.gz SCDCRVDQKDAUSZ-KGLIPLIRSA-N 1 2 318.421 2.952 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCCOCC1 ZINC000330243363 336128988 /nfs/dbraw/zinc/12/89/88/336128988.db2.gz CQQXJHHVKGSCHP-CABCVRRESA-N 1 2 320.437 2.913 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330248448 336129548 /nfs/dbraw/zinc/12/95/48/336129548.db2.gz ZJBPKYXYYQBOHB-AWEZNQCLSA-N 1 2 322.430 2.613 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330248448 336129550 /nfs/dbraw/zinc/12/95/50/336129550.db2.gz ZJBPKYXYYQBOHB-AWEZNQCLSA-N 1 2 322.430 2.613 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000330288146 336133515 /nfs/dbraw/zinc/13/35/15/336133515.db2.gz BLSUBDFONYCWCI-OCCSQVGLSA-N 1 2 317.776 2.812 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000331466137 336136689 /nfs/dbraw/zinc/13/66/89/336136689.db2.gz LKHUTJWPCNUQGP-UKRRQHHQSA-N 1 2 309.373 2.901 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1nc2ccccc2s1 ZINC000331504872 336138262 /nfs/dbraw/zinc/13/82/62/336138262.db2.gz QJODRSLTVKJGDE-SRVKXCTJSA-N 1 2 314.414 2.905 20 30 DFEDLO Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C#N)sc2c1 ZINC000331559993 336140293 /nfs/dbraw/zinc/14/02/93/336140293.db2.gz XWRZNFFJOCJFMZ-NEPJUHHUSA-N 1 2 314.414 2.825 20 30 DFEDLO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330314793 336152404 /nfs/dbraw/zinc/15/24/04/336152404.db2.gz YFHZVQLNDGYHMH-IXDOHACOSA-N 1 2 310.401 2.818 20 30 DFEDLO [O-]C(=[NH+][C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330314793 336152405 /nfs/dbraw/zinc/15/24/05/336152405.db2.gz YFHZVQLNDGYHMH-IXDOHACOSA-N 1 2 310.401 2.818 20 30 DFEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330321884 336158111 /nfs/dbraw/zinc/15/81/11/336158111.db2.gz SHUHCSISDZGVJE-WCQYABFASA-N 1 2 304.394 2.690 20 30 DFEDLO CCN1CCN(C(=O)NC2CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330337733 336168508 /nfs/dbraw/zinc/16/85/08/336168508.db2.gz UITYJGHZMQQZRB-OAHLLOKOSA-N 1 2 319.453 2.725 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352196063 336200881 /nfs/dbraw/zinc/20/08/81/336200881.db2.gz WFDYBDZLRDKNGK-GFCCVEGCSA-N 1 2 301.381 2.552 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000352221316 336203878 /nfs/dbraw/zinc/20/38/78/336203878.db2.gz HBBIXVWWFVPSIV-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000352221316 336203879 /nfs/dbraw/zinc/20/38/79/336203879.db2.gz HBBIXVWWFVPSIV-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO CCN(C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)C1CCCCC1 ZINC000352468784 336220860 /nfs/dbraw/zinc/22/08/60/336220860.db2.gz UQQHFKFIZBWYOP-CQSZACIVSA-N 1 2 309.429 2.884 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000352575921 336225326 /nfs/dbraw/zinc/22/53/26/336225326.db2.gz DNTGVQVAKMJKSY-KBXCAEBGSA-N 1 2 317.408 2.971 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000352588056 336225931 /nfs/dbraw/zinc/22/59/31/336225931.db2.gz FALUXNYZWDQDJW-UHFFFAOYSA-N 1 2 309.369 2.727 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367138557 336286563 /nfs/dbraw/zinc/28/65/63/336286563.db2.gz QLUUZKZCBNKWET-OAHLLOKOSA-N 1 2 315.417 2.526 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1Cl ZINC000352885849 336330871 /nfs/dbraw/zinc/33/08/71/336330871.db2.gz FBJFREHYDOCCGT-AWEZNQCLSA-N 1 2 320.820 2.711 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1Cl ZINC000352885849 336330872 /nfs/dbraw/zinc/33/08/72/336330872.db2.gz FBJFREHYDOCCGT-AWEZNQCLSA-N 1 2 320.820 2.711 20 30 DFEDLO CC(C)(C)c1cc(N2CC(O)(CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC000302396808 336358191 /nfs/dbraw/zinc/35/81/91/336358191.db2.gz DEDCQYVLGNDSQV-UHFFFAOYSA-N 1 2 302.422 2.536 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C2CC2)C1=O ZINC000352900903 336375443 /nfs/dbraw/zinc/37/54/43/336375443.db2.gz JAJUBIMZDALYKY-QGZVFWFLSA-N 1 2 316.449 2.605 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C2CC2)C1=O ZINC000352900903 336375444 /nfs/dbraw/zinc/37/54/44/336375444.db2.gz JAJUBIMZDALYKY-QGZVFWFLSA-N 1 2 316.449 2.605 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)CC)Cc1cnn(C(C)C)c1 ZINC000352905768 336375791 /nfs/dbraw/zinc/37/57/91/336375791.db2.gz ZCTHGPOFVJONIT-OAHLLOKOSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)CC)Cc1cnn(C(C)C)c1 ZINC000352905768 336375792 /nfs/dbraw/zinc/37/57/92/336375792.db2.gz ZCTHGPOFVJONIT-OAHLLOKOSA-N 1 2 306.454 2.757 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370421304 336884683 /nfs/dbraw/zinc/88/46/83/336884683.db2.gz NPPTVZKBCLDAAJ-HNNXBMFYSA-N 1 2 313.376 2.799 20 30 DFEDLO C=CCn1c(SCCn2cc[nH+]c2)nc2sccc2c1=O ZINC000121845628 336981503 /nfs/dbraw/zinc/98/15/03/336981503.db2.gz PCRODUFBORKVGT-UHFFFAOYSA-N 1 2 318.427 2.633 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294791 337007379 /nfs/dbraw/zinc/00/73/79/337007379.db2.gz ZGGNDNOIFQQABY-CQSZACIVSA-N 1 2 318.371 2.920 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294791 337007380 /nfs/dbraw/zinc/00/73/80/337007380.db2.gz ZGGNDNOIFQQABY-CQSZACIVSA-N 1 2 318.371 2.920 20 30 DFEDLO C#CCOCCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000375325386 337008245 /nfs/dbraw/zinc/00/82/45/337008245.db2.gz ZTKFSLXBRRCAOI-UHFFFAOYSA-N 1 2 324.380 2.832 20 30 DFEDLO N#C[C@@H]1[N@H+](C[C@H](O)C2CCCCC2)CCC[C@@]12CCCCO2 ZINC000375916259 337023106 /nfs/dbraw/zinc/02/31/06/337023106.db2.gz LHAPIRBBXJBCGJ-BZSNNMDCSA-N 1 2 306.450 2.855 20 30 DFEDLO N#C[C@@H]1[N@@H+](C[C@H](O)C2CCCCC2)CCC[C@@]12CCCCO2 ZINC000375916259 337023107 /nfs/dbraw/zinc/02/31/07/337023107.db2.gz LHAPIRBBXJBCGJ-BZSNNMDCSA-N 1 2 306.450 2.855 20 30 DFEDLO C=C(Cl)CNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376165692 337028672 /nfs/dbraw/zinc/02/86/72/337028672.db2.gz IPLMTYOBWJJYFV-CQSZACIVSA-N 1 2 315.804 2.981 20 30 DFEDLO C=C(CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000377056387 337046110 /nfs/dbraw/zinc/04/61/10/337046110.db2.gz LZGMVGFWWMTNKG-MRXNPFEDSA-N 1 2 324.428 2.800 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)cc1 ZINC000377679456 337058224 /nfs/dbraw/zinc/05/82/24/337058224.db2.gz LUEAYLIZZNAGET-DLBZAZTESA-N 1 2 323.396 2.890 20 30 DFEDLO C#Cc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)cc1 ZINC000377679456 337058225 /nfs/dbraw/zinc/05/82/25/337058225.db2.gz LUEAYLIZZNAGET-DLBZAZTESA-N 1 2 323.396 2.890 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378079797 337066184 /nfs/dbraw/zinc/06/61/84/337066184.db2.gz NJFQCKQBEQYWEX-CABCVRRESA-N 1 2 323.400 2.611 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378079797 337066185 /nfs/dbraw/zinc/06/61/85/337066185.db2.gz NJFQCKQBEQYWEX-CABCVRRESA-N 1 2 323.400 2.611 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC ZINC000181330234 337181333 /nfs/dbraw/zinc/18/13/33/337181333.db2.gz QNPQTHIWGHVNAS-UHFFFAOYSA-N 1 2 322.405 2.684 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC ZINC000181330234 337181334 /nfs/dbraw/zinc/18/13/34/337181334.db2.gz QNPQTHIWGHVNAS-UHFFFAOYSA-N 1 2 322.405 2.684 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000185077053 337202898 /nfs/dbraw/zinc/20/28/98/337202898.db2.gz WCUXRPJWRVUGSV-INIZCTEOSA-N 1 2 316.445 2.737 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186108109 337253638 /nfs/dbraw/zinc/25/36/38/337253638.db2.gz QZZDKRPVGQWARR-COLVAYQJSA-N 1 2 323.799 2.545 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186108109 337253639 /nfs/dbraw/zinc/25/36/39/337253639.db2.gz QZZDKRPVGQWARR-COLVAYQJSA-N 1 2 323.799 2.545 20 30 DFEDLO N#CCc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186506710 337257189 /nfs/dbraw/zinc/25/71/89/337257189.db2.gz SZXKZOPMJZLQST-UHFFFAOYSA-N 1 2 320.396 2.500 20 30 DFEDLO COc1ccccc1-c1ccc(C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000190980537 337291910 /nfs/dbraw/zinc/29/19/10/337291910.db2.gz GYDNUVMKAPTWAL-UHFFFAOYSA-N 1 2 308.381 2.823 20 30 DFEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000584445665 337326328 /nfs/dbraw/zinc/32/63/28/337326328.db2.gz INFGZYBPOINANN-QGZVFWFLSA-N 1 2 320.396 2.927 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000584478041 337348037 /nfs/dbraw/zinc/34/80/37/337348037.db2.gz FOUIPJJUXYACSV-INIZCTEOSA-N 1 2 312.417 2.832 20 30 DFEDLO C=CCC1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000584512684 337353781 /nfs/dbraw/zinc/35/37/81/337353781.db2.gz UUNIFHSPHGRKFO-ZDUSSCGKSA-N 1 2 302.422 2.703 20 30 DFEDLO C=CCC1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000584512684 337353782 /nfs/dbraw/zinc/35/37/82/337353782.db2.gz UUNIFHSPHGRKFO-ZDUSSCGKSA-N 1 2 302.422 2.703 20 30 DFEDLO N#CCCC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000584526353 337355927 /nfs/dbraw/zinc/35/59/27/337355927.db2.gz LGXQVZRTYNUDID-UHFFFAOYSA-N 1 2 315.421 2.609 20 30 DFEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000106801416 337387241 /nfs/dbraw/zinc/38/72/41/337387241.db2.gz XKMAINNLDJIODE-GOSISDBHSA-N 1 2 323.525 2.975 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057878324 337458162 /nfs/dbraw/zinc/45/81/62/337458162.db2.gz PWQMOENURLXQTH-OAHLLOKOSA-N 1 2 310.401 2.557 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C#N)CC1 ZINC000057880981 337458201 /nfs/dbraw/zinc/45/82/01/337458201.db2.gz IDCDLYSXNJGWSU-NSHDSACASA-N 1 2 323.343 2.851 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)nn1 ZINC000424299739 337817347 /nfs/dbraw/zinc/81/73/47/337817347.db2.gz WFTWIOHNIJQELS-CYBMUJFWSA-N 1 2 300.410 2.627 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000428472777 338054172 /nfs/dbraw/zinc/05/41/72/338054172.db2.gz JNKPXQBEANEICY-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000428472777 338054173 /nfs/dbraw/zinc/05/41/73/338054173.db2.gz JNKPXQBEANEICY-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000428952532 338066410 /nfs/dbraw/zinc/06/64/10/338066410.db2.gz CWTADRYJXZIHSQ-GJZGRUSLSA-N 1 2 317.437 2.559 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429406050 338079943 /nfs/dbraw/zinc/07/99/43/338079943.db2.gz OPRQAAQZEITEPM-AWEZNQCLSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429406050 338079944 /nfs/dbraw/zinc/07/99/44/338079944.db2.gz OPRQAAQZEITEPM-AWEZNQCLSA-N 1 2 303.406 2.751 20 30 DFEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1(CC#N)CC1 ZINC000430018968 338093622 /nfs/dbraw/zinc/09/36/22/338093622.db2.gz DZPCWDJLISWEBO-UHFFFAOYSA-N 1 2 312.822 2.527 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430258155 338103281 /nfs/dbraw/zinc/10/32/81/338103281.db2.gz NPGRIOKRGYXVFV-INIZCTEOSA-N 1 2 310.401 2.596 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433225736 338186676 /nfs/dbraw/zinc/18/66/76/338186676.db2.gz JTSFWNLJCBQPMS-MRXNPFEDSA-N 1 2 322.412 2.536 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433289591 338189612 /nfs/dbraw/zinc/18/96/12/338189612.db2.gz QMJJSDDTKYXOBT-ZDUSSCGKSA-N 1 2 303.406 2.894 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433289591 338189613 /nfs/dbraw/zinc/18/96/13/338189613.db2.gz QMJJSDDTKYXOBT-ZDUSSCGKSA-N 1 2 303.406 2.894 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434618230 338221361 /nfs/dbraw/zinc/22/13/61/338221361.db2.gz YNEWURCHGPQKMK-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434618230 338221362 /nfs/dbraw/zinc/22/13/62/338221362.db2.gz YNEWURCHGPQKMK-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO N#CCCCn1cc(C(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000434766752 338225254 /nfs/dbraw/zinc/22/52/54/338225254.db2.gz GMLSWJLPPNOPJE-UHFFFAOYSA-N 1 2 321.384 2.572 20 30 DFEDLO C=CCSCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000438300616 338338981 /nfs/dbraw/zinc/33/89/81/338338981.db2.gz DPAHHKXWYJUGGE-AWEZNQCLSA-N 1 2 313.850 2.933 20 30 DFEDLO C=CCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809602 338567354 /nfs/dbraw/zinc/56/73/54/338567354.db2.gz AWHCGMBXQNPKGG-UHFFFAOYSA-N 1 2 305.378 2.805 20 30 DFEDLO N#CC1(C[NH+]2CCN(c3ncnc4ccsc43)CC2)CCC1 ZINC000450440739 338684436 /nfs/dbraw/zinc/68/44/36/338684436.db2.gz ZOZQUBHPEPEHBQ-UHFFFAOYSA-N 1 2 313.430 2.507 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000451392840 338732431 /nfs/dbraw/zinc/73/24/31/338732431.db2.gz KBVVODWPRHJDHA-ILXRZTDVSA-N 1 2 303.406 2.548 20 30 DFEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000451506018 338736971 /nfs/dbraw/zinc/73/69/71/338736971.db2.gz TYDBGOHIOCQMLY-MRXNPFEDSA-N 1 2 308.466 2.692 20 30 DFEDLO C=C(C)CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000454269234 338859579 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/nfs/dbraw/zinc/39/25/09/398392509.db2.gz TVTXAPQTRIWVIP-AWEZNQCLSA-N 1 2 315.200 2.723 20 30 DFEDLO CC(C)c1nc(N2CCC(CCC#N)CC2)nc(N(C)C)[nH+]1 ZINC000581881634 398393736 /nfs/dbraw/zinc/39/37/36/398393736.db2.gz YYIFRYZNVXXOTR-UHFFFAOYSA-N 1 2 302.426 2.581 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(N2CCC(CCC#N)CC2)[nH+]1 ZINC000581881634 398393741 /nfs/dbraw/zinc/39/37/41/398393741.db2.gz YYIFRYZNVXXOTR-UHFFFAOYSA-N 1 2 302.426 2.581 20 30 DFEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000023618066 398425064 /nfs/dbraw/zinc/42/50/64/398425064.db2.gz UDQZVEQAOMAJIH-UHFFFAOYSA-N 1 2 307.313 2.769 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000592532077 398443556 /nfs/dbraw/zinc/44/35/56/398443556.db2.gz MHZJQRSGXWTQHP-CQSZACIVSA-N 1 2 310.401 2.739 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000592532077 398443560 /nfs/dbraw/zinc/44/35/60/398443560.db2.gz MHZJQRSGXWTQHP-CQSZACIVSA-N 1 2 310.401 2.739 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000592523058 398441153 /nfs/dbraw/zinc/44/11/53/398441153.db2.gz VHFCBRXBQNWBNU-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000592523058 398441155 /nfs/dbraw/zinc/44/11/55/398441155.db2.gz VHFCBRXBQNWBNU-ZDUSSCGKSA-N 1 2 302.271 2.695 20 30 DFEDLO COC(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000585767362 398446047 /nfs/dbraw/zinc/44/60/47/398446047.db2.gz VMDNNHDDCPQBBA-UHFFFAOYSA-N 1 2 320.352 2.913 20 30 DFEDLO N#CC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000057907192 334953969 /nfs/dbraw/zinc/95/39/69/334953969.db2.gz RWEABCIBUROCFO-UHFFFAOYSA-N 1 2 311.307 2.879 20 30 DFEDLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907929 334954028 /nfs/dbraw/zinc/95/40/28/334954028.db2.gz YFUIQVFMZXQBQA-GFCCVEGCSA-N 1 2 303.431 2.971 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000286747309 219144045 /nfs/dbraw/zinc/14/40/45/219144045.db2.gz GBLVCPLXNLVYIH-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000286747309 219144047 /nfs/dbraw/zinc/14/40/47/219144047.db2.gz GBLVCPLXNLVYIH-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000596606001 398459716 /nfs/dbraw/zinc/45/97/16/398459716.db2.gz JRFGOXHSDRGLQG-INIZCTEOSA-N 1 2 311.389 2.986 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000596606001 398459720 /nfs/dbraw/zinc/45/97/20/398459720.db2.gz JRFGOXHSDRGLQG-INIZCTEOSA-N 1 2 311.389 2.986 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC(C)(C)C1 ZINC000083416182 192369653 /nfs/dbraw/zinc/36/96/53/192369653.db2.gz XIXBOLJUWYOPRZ-AWEZNQCLSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)C1 ZINC000083416182 192369655 /nfs/dbraw/zinc/36/96/55/192369655.db2.gz XIXBOLJUWYOPRZ-AWEZNQCLSA-N 1 2 304.415 2.600 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596699975 398480931 /nfs/dbraw/zinc/48/09/31/398480931.db2.gz VRWLMRHCCXTNNF-UHFFFAOYSA-N 1 2 313.361 2.732 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596699975 398480935 /nfs/dbraw/zinc/48/09/35/398480935.db2.gz VRWLMRHCCXTNNF-UHFFFAOYSA-N 1 2 313.361 2.732 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000292037172 398481470 /nfs/dbraw/zinc/48/14/70/398481470.db2.gz ABSDCYJCLVAMGO-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000292037172 398481474 /nfs/dbraw/zinc/48/14/74/398481474.db2.gz ABSDCYJCLVAMGO-UHFFFAOYSA-N 1 2 316.361 2.634 20 30 DFEDLO N#CC1(CC(=O)Nc2ccccc2-n2cc[nH+]c2)CCOCC1 ZINC000596772436 398499098 /nfs/dbraw/zinc/49/90/98/398499098.db2.gz ULHXIQWYGCKYGD-UHFFFAOYSA-N 1 2 310.357 2.521 20 30 DFEDLO C[N@H+](CC(=O)Nc1n[nH]c(C(F)(F)F)n1)Cc1ccccc1 ZINC000068423401 398502279 /nfs/dbraw/zinc/50/22/79/398502279.db2.gz NYAGGNKOBOKXSG-UHFFFAOYSA-N 1 2 313.283 2.544 20 30 DFEDLO C[N@@H+](CC(=O)Nc1n[nH]c(C(F)(F)F)n1)Cc1ccccc1 ZINC000068423401 398502280 /nfs/dbraw/zinc/50/22/80/398502280.db2.gz NYAGGNKOBOKXSG-UHFFFAOYSA-N 1 2 313.283 2.544 20 30 DFEDLO N#Cc1csc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000091064605 398506756 /nfs/dbraw/zinc/50/67/56/398506756.db2.gz NHZPYAJWIIJSFW-UHFFFAOYSA-N 1 2 314.414 2.588 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000311885483 398515190 /nfs/dbraw/zinc/51/51/90/398515190.db2.gz WWKUYXDOMYHBCD-LBPRGKRZSA-N 1 2 323.234 2.915 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000311885483 398515192 /nfs/dbraw/zinc/51/51/92/398515192.db2.gz WWKUYXDOMYHBCD-LBPRGKRZSA-N 1 2 323.234 2.915 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3F)CC2)c1C#N ZINC000286862396 219199311 /nfs/dbraw/zinc/19/93/11/219199311.db2.gz HDPOVLGGABAXNQ-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 ZINC000589128702 398529562 /nfs/dbraw/zinc/52/95/62/398529562.db2.gz HNTYPCNYYFDELQ-INIZCTEOSA-N 1 2 308.385 2.854 20 30 DFEDLO C[C@@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000596935639 398533011 /nfs/dbraw/zinc/53/30/11/398533011.db2.gz HUIHNYISVABPBE-GFCCVEGCSA-N 1 2 311.389 2.587 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000083418046 192370995 /nfs/dbraw/zinc/37/09/95/192370995.db2.gz LYLGBVJMDUJOCN-LLVKDONJSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCSC(C)(C)C2)c(C#N)c1C ZINC000083418046 192370997 /nfs/dbraw/zinc/37/09/97/192370997.db2.gz LYLGBVJMDUJOCN-LLVKDONJSA-N 1 2 321.446 2.923 20 30 DFEDLO CCCn1nccc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000596984975 398541625 /nfs/dbraw/zinc/54/16/25/398541625.db2.gz YWIJVXMDXNOBPR-UHFFFAOYSA-N 1 2 312.417 2.813 20 30 DFEDLO CCCn1nccc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000596984975 398541627 /nfs/dbraw/zinc/54/16/27/398541627.db2.gz YWIJVXMDXNOBPR-UHFFFAOYSA-N 1 2 312.417 2.813 20 30 DFEDLO Cc1ncccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000589258877 398541973 /nfs/dbraw/zinc/54/19/73/398541973.db2.gz STHKAJYDZKBPPE-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000589349492 398547111 /nfs/dbraw/zinc/54/71/11/398547111.db2.gz ACRLPZATHMKGOY-AWEZNQCLSA-N 1 2 313.336 2.763 20 30 DFEDLO CC(C)CCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593156244 398560539 /nfs/dbraw/zinc/56/05/39/398560539.db2.gz OZHRMLRMNLDTAN-SFHVURJKSA-N 1 2 317.433 2.685 20 30 DFEDLO CC(C)CCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593156243 398560607 /nfs/dbraw/zinc/56/06/07/398560607.db2.gz OZHRMLRMNLDTAN-GOSISDBHSA-N 1 2 317.433 2.685 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000589560639 398560840 /nfs/dbraw/zinc/56/08/40/398560840.db2.gz QPTZBGWYBGXBQW-SNVBAGLBSA-N 1 2 313.311 2.504 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC2(CCC2)[C@@H]1C1CC1 ZINC000589605016 398563310 /nfs/dbraw/zinc/56/33/10/398563310.db2.gz AOXMDHIJBQSQDC-AWEZNQCLSA-N 1 2 308.389 2.509 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)o1 ZINC000597116105 398569193 /nfs/dbraw/zinc/56/91/93/398569193.db2.gz DQWXICLCDQFKRE-MRXNPFEDSA-N 1 2 324.384 2.507 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)o1 ZINC000597116105 398569198 /nfs/dbraw/zinc/56/91/98/398569198.db2.gz DQWXICLCDQFKRE-MRXNPFEDSA-N 1 2 324.384 2.507 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597159613 398579548 /nfs/dbraw/zinc/57/95/48/398579548.db2.gz PVKOMHLFMIQNRJ-CQSZACIVSA-N 1 2 302.422 2.693 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597159613 398579552 /nfs/dbraw/zinc/57/95/52/398579552.db2.gz PVKOMHLFMIQNRJ-CQSZACIVSA-N 1 2 302.422 2.693 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)C#Cc2ccccc2)c[nH+]1 ZINC000080568674 192168428 /nfs/dbraw/zinc/16/84/28/192168428.db2.gz APCTXIBZEJSPOM-UHFFFAOYSA-N 1 2 307.397 2.596 20 30 DFEDLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)C#N)n2)CC1 ZINC000042128121 398583711 /nfs/dbraw/zinc/58/37/11/398583711.db2.gz MMZIAFQXLSAEHG-UHFFFAOYSA-N 1 2 306.435 2.863 20 30 DFEDLO COC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000597189953 398585819 /nfs/dbraw/zinc/58/58/19/398585819.db2.gz FGWFDMSCPRREQE-BFHRDPOASA-N 1 2 316.401 2.971 20 30 DFEDLO CCCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000589988490 398588058 /nfs/dbraw/zinc/58/80/58/398588058.db2.gz KGGMZABEIYHPOJ-HNNXBMFYSA-N 1 2 304.438 2.601 20 30 DFEDLO Cc1nnc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)o1 ZINC000597199004 398588761 /nfs/dbraw/zinc/58/87/61/398588761.db2.gz QCRFCKBWGFWVMF-UHFFFAOYSA-N 1 2 300.362 2.693 20 30 DFEDLO Cc1nnc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)o1 ZINC000597199004 398588765 /nfs/dbraw/zinc/58/87/65/398588765.db2.gz QCRFCKBWGFWVMF-UHFFFAOYSA-N 1 2 300.362 2.693 20 30 DFEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000597211058 398592260 /nfs/dbraw/zinc/59/22/60/398592260.db2.gz KPEQLLGHKLMYEZ-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO COc1ccc2c(c1)CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000597211058 398592266 /nfs/dbraw/zinc/59/22/66/398592266.db2.gz KPEQLLGHKLMYEZ-UHFFFAOYSA-N 1 2 318.380 2.773 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000597229526 398598059 /nfs/dbraw/zinc/59/80/59/398598059.db2.gz BYLJJACKDCGQID-KRWDZBQOSA-N 1 2 319.836 2.912 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000597229526 398598063 /nfs/dbraw/zinc/59/80/63/398598063.db2.gz BYLJJACKDCGQID-KRWDZBQOSA-N 1 2 319.836 2.912 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1C[C@H]1c1ccccc1 ZINC000590143740 398599950 /nfs/dbraw/zinc/59/99/50/398599950.db2.gz AMKQSWNSJCUYOX-GJZGRUSLSA-N 1 2 318.384 2.956 20 30 DFEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000351028097 398614362 /nfs/dbraw/zinc/61/43/62/398614362.db2.gz UHNMYQCNPODHIJ-RRFJBIMHSA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000351028097 398614364 /nfs/dbraw/zinc/61/43/64/398614364.db2.gz UHNMYQCNPODHIJ-RRFJBIMHSA-N 1 2 321.421 2.519 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000590319155 398612925 /nfs/dbraw/zinc/61/29/25/398612925.db2.gz FWHXXFMWSXYQOT-GOEBONIOSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000590319155 398612930 /nfs/dbraw/zinc/61/29/30/398612930.db2.gz FWHXXFMWSXYQOT-GOEBONIOSA-N 1 2 319.355 2.520 20 30 DFEDLO CC[C@]([NH2+]CCCSCC#N)(C(=O)OC)c1ccccc1 ZINC000072517810 398618109 /nfs/dbraw/zinc/61/81/09/398618109.db2.gz VDURJKFIBYPAJO-MRXNPFEDSA-N 1 2 306.431 2.701 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000351188227 398622647 /nfs/dbraw/zinc/62/26/47/398622647.db2.gz KYQRUCZFXNDBDT-QLFBSQMISA-N 1 2 321.421 2.690 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000351188227 398622651 /nfs/dbraw/zinc/62/26/51/398622651.db2.gz KYQRUCZFXNDBDT-QLFBSQMISA-N 1 2 321.421 2.690 20 30 DFEDLO N#CC1(CNC(=O)NCCCCNc2cccc[nH+]2)CCCC1 ZINC000593428473 398625353 /nfs/dbraw/zinc/62/53/53/398625353.db2.gz YNIGRIGGMYIMSP-UHFFFAOYSA-N 1 2 315.421 2.657 20 30 DFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000072690104 398631035 /nfs/dbraw/zinc/63/10/35/398631035.db2.gz ZVDMRNRLNWKFCF-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000072690104 398631038 /nfs/dbraw/zinc/63/10/38/398631038.db2.gz ZVDMRNRLNWKFCF-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000590587054 398635557 /nfs/dbraw/zinc/63/55/57/398635557.db2.gz VAYRWGLEHBBLEB-MWLCHTKSSA-N 1 2 307.810 2.952 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3cnccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000094136634 398654464 /nfs/dbraw/zinc/65/44/64/398654464.db2.gz QNVPVXZYKOKKAL-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000597573277 398662826 /nfs/dbraw/zinc/66/28/26/398662826.db2.gz XTRYLWJJXKVFOI-DOMZBBRYSA-N 1 2 300.406 2.512 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597606880 398668694 /nfs/dbraw/zinc/66/86/94/398668694.db2.gz ZOHZFXNIZWXLOB-GFCCVEGCSA-N 1 2 321.384 2.599 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597606880 398668698 /nfs/dbraw/zinc/66/86/98/398668698.db2.gz ZOHZFXNIZWXLOB-GFCCVEGCSA-N 1 2 321.384 2.599 20 30 DFEDLO N#Cc1c(C#N)c2c(nc1NCCn1cc[nH+]c1)CCCCCC2 ZINC000280112849 215385352 /nfs/dbraw/zinc/38/53/52/215385352.db2.gz VXLMBLKVJIVDBW-UHFFFAOYSA-N 1 2 320.400 2.793 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1Cl ZINC000590767638 398669788 /nfs/dbraw/zinc/66/97/88/398669788.db2.gz MNLLIIZEZYQRPG-UHFFFAOYSA-N 1 2 300.749 2.997 20 30 DFEDLO N#CCCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597642742 398673044 /nfs/dbraw/zinc/67/30/44/398673044.db2.gz WREJWIVXHBIYII-UHFFFAOYSA-N 1 2 320.462 2.691 20 30 DFEDLO CC[C@@H](C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000593738411 398678777 /nfs/dbraw/zinc/67/87/77/398678777.db2.gz ZPOSDNNYIGUAKH-NSHDSACASA-N 1 2 302.765 2.692 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802184 191231100 /nfs/dbraw/zinc/23/11/00/191231100.db2.gz LGDCGGLCKWVPSJ-UHFFFAOYSA-N 1 2 317.336 2.833 20 30 DFEDLO N#CC1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000590823499 398681661 /nfs/dbraw/zinc/68/16/61/398681661.db2.gz KZXKJIOLPYYYSG-UHFFFAOYSA-N 1 2 319.368 2.589 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000281206444 334977935 /nfs/dbraw/zinc/97/79/35/334977935.db2.gz CUVSOSLJANWYAC-UKRRQHHQSA-N 1 2 311.385 2.779 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CCCC1 ZINC000593773960 398684632 /nfs/dbraw/zinc/68/46/32/398684632.db2.gz RMDOQRLEBPVCLZ-UHFFFAOYSA-N 1 2 310.401 2.799 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590855048 398687585 /nfs/dbraw/zinc/68/75/85/398687585.db2.gz PRMDIPUJYJOQRX-MRXNPFEDSA-N 1 2 309.373 2.818 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)c2[nH+]ccn21 ZINC000590875765 398692705 /nfs/dbraw/zinc/69/27/05/398692705.db2.gz WMNJVFHGSLKELW-JSGCOSHPSA-N 1 2 319.368 2.797 20 30 DFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cn2)cc1 ZINC000073869325 398706012 /nfs/dbraw/zinc/70/60/12/398706012.db2.gz YRWAQDJNKCGSGX-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000590956132 398708042 /nfs/dbraw/zinc/70/80/42/398708042.db2.gz YSNUTQNVAWWNGR-NSHDSACASA-N 1 2 311.288 2.670 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000590956132 398708045 /nfs/dbraw/zinc/70/80/45/398708045.db2.gz YSNUTQNVAWWNGR-NSHDSACASA-N 1 2 311.288 2.670 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000590956690 398708227 /nfs/dbraw/zinc/70/82/27/398708227.db2.gz LDVJNKOTMWJDPU-UHFFFAOYSA-N 1 2 315.373 2.859 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000590956690 398708231 /nfs/dbraw/zinc/70/82/31/398708231.db2.gz LDVJNKOTMWJDPU-UHFFFAOYSA-N 1 2 315.373 2.859 20 30 DFEDLO N#CCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000593968077 398710620 /nfs/dbraw/zinc/71/06/20/398710620.db2.gz KXVOVDGPRMMDAG-UHFFFAOYSA-N 1 2 300.337 2.712 20 30 DFEDLO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519022 398711776 /nfs/dbraw/zinc/71/17/76/398711776.db2.gz SDMPVVLFJIYDNI-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519022 398711781 /nfs/dbraw/zinc/71/17/81/398711781.db2.gz SDMPVVLFJIYDNI-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000591010399 398714599 /nfs/dbraw/zinc/71/45/99/398714599.db2.gz IIOINORRDYKQOZ-INIZCTEOSA-N 1 2 301.434 2.814 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597942381 398725264 /nfs/dbraw/zinc/72/52/64/398725264.db2.gz XALJHQNPNRAERR-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594040493 398728246 /nfs/dbraw/zinc/72/82/46/398728246.db2.gz GDCWIORNLCLSNL-KGLIPLIRSA-N 1 2 310.401 2.831 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[C@H]1C1CC1 ZINC000591186600 398736850 /nfs/dbraw/zinc/73/68/50/398736850.db2.gz HEURAVSLHPLNED-KBPBESRZSA-N 1 2 310.405 2.978 20 30 DFEDLO CC[C@@H](C#N)N(C)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000594088268 398740776 /nfs/dbraw/zinc/74/07/76/398740776.db2.gz LUIPCPAYRAYQEK-HOTGVXAUSA-N 1 2 317.458 2.537 20 30 DFEDLO C=CCNC(=O)C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000081019386 192214516 /nfs/dbraw/zinc/21/45/16/192214516.db2.gz WORVEHPBGMQBCY-UHFFFAOYSA-N 1 2 309.413 2.694 20 30 DFEDLO C=CCNC(=O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000081019386 192214519 /nfs/dbraw/zinc/21/45/19/192214519.db2.gz WORVEHPBGMQBCY-UHFFFAOYSA-N 1 2 309.413 2.694 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000281383050 334982065 /nfs/dbraw/zinc/98/20/65/334982065.db2.gz NUJKSHOSNJSQFQ-YOEHRIQHSA-N 1 2 310.401 2.890 20 30 DFEDLO Cc1ccc(-c2cccnc2)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000591776903 398786778 /nfs/dbraw/zinc/78/67/78/398786778.db2.gz FZDGGNISDHPKMV-SFHVURJKSA-N 1 2 324.428 2.675 20 30 DFEDLO Cc1ccc(-c2cccnc2)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000591776903 398786781 /nfs/dbraw/zinc/78/67/81/398786781.db2.gz FZDGGNISDHPKMV-SFHVURJKSA-N 1 2 324.428 2.675 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCCC[C@H]3c3cc[nH]n3)n2c1 ZINC000377633865 283201307 /nfs/dbraw/zinc/20/13/07/283201307.db2.gz YEZOEHIZMDHPAY-INIZCTEOSA-N 1 2 306.373 2.656 20 30 DFEDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(C#N)cc1 ZINC000049161924 398792105 /nfs/dbraw/zinc/79/21/05/398792105.db2.gz AZNLVPOJTMPKNI-ZDUSSCGKSA-N 1 2 323.400 2.580 20 30 DFEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCn2c[nH+]cc2C1 ZINC000357557788 283240481 /nfs/dbraw/zinc/24/04/81/283240481.db2.gz JQTBJONQHCWHHR-UHFFFAOYSA-N 1 2 311.295 2.601 20 30 DFEDLO C[C@]1(C#N)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598416512 398809215 /nfs/dbraw/zinc/80/92/15/398809215.db2.gz BRBSMWKVYQUMES-MAUKXSAKSA-N 1 2 308.385 2.694 20 30 DFEDLO COC(=O)C[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179396191 199028615 /nfs/dbraw/zinc/02/86/15/199028615.db2.gz UBNDHOSYUKPAJZ-UHFFFAOYSA-N 1 2 324.380 2.742 20 30 DFEDLO COC(=O)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179396191 199028617 /nfs/dbraw/zinc/02/86/17/199028617.db2.gz UBNDHOSYUKPAJZ-UHFFFAOYSA-N 1 2 324.380 2.742 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000179323642 199015466 /nfs/dbraw/zinc/01/54/66/199015466.db2.gz VCIQMJSWNZXHPW-MRXNPFEDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000179323642 199015467 /nfs/dbraw/zinc/01/54/67/199015467.db2.gz VCIQMJSWNZXHPW-MRXNPFEDSA-N 1 2 316.445 2.573 20 30 DFEDLO CCc1cnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000075626253 398814231 /nfs/dbraw/zinc/81/42/31/398814231.db2.gz RXLYKQZGBODTDB-UHFFFAOYSA-N 1 2 310.401 2.821 20 30 DFEDLO CCc1cnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000075626253 398814234 /nfs/dbraw/zinc/81/42/34/398814234.db2.gz RXLYKQZGBODTDB-UHFFFAOYSA-N 1 2 310.401 2.821 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507072 199047508 /nfs/dbraw/zinc/04/75/08/199047508.db2.gz VBJOVJVQFAZCPP-LLVKDONJSA-N 1 2 311.227 2.770 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179507072 199047510 /nfs/dbraw/zinc/04/75/10/199047510.db2.gz VBJOVJVQFAZCPP-LLVKDONJSA-N 1 2 311.227 2.770 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000075640190 398814973 /nfs/dbraw/zinc/81/49/73/398814973.db2.gz CCNVUNPTIACYPC-JKSUJKDBSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000075640190 398814974 /nfs/dbraw/zinc/81/49/74/398814974.db2.gz CCNVUNPTIACYPC-JKSUJKDBSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152113110 283310294 /nfs/dbraw/zinc/31/02/94/283310294.db2.gz FFIIFARQQQICLP-YOEHRIQHSA-N 1 2 323.400 2.547 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000594541530 398817971 /nfs/dbraw/zinc/81/79/71/398817971.db2.gz ASBGRIDJYOFXGZ-GFCCVEGCSA-N 1 2 307.357 2.612 20 30 DFEDLO Cc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)o1 ZINC000051966235 398828080 /nfs/dbraw/zinc/82/80/80/398828080.db2.gz CIEZYZVZHAMKME-QGZVFWFLSA-N 1 2 303.406 2.607 20 30 DFEDLO Cc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)o1 ZINC000051966235 398828081 /nfs/dbraw/zinc/82/80/81/398828081.db2.gz CIEZYZVZHAMKME-QGZVFWFLSA-N 1 2 303.406 2.607 20 30 DFEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052073850 398831818 /nfs/dbraw/zinc/83/18/18/398831818.db2.gz UPTAMQWUIXJNBL-PXAZEXFGSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052073850 398831819 /nfs/dbraw/zinc/83/18/19/398831819.db2.gz UPTAMQWUIXJNBL-PXAZEXFGSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1C#N ZINC000594710331 398846717 /nfs/dbraw/zinc/84/67/17/398846717.db2.gz HXXXZXAUOHATNG-WDEREUQCSA-N 1 2 300.387 2.693 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000594712949 398847301 /nfs/dbraw/zinc/84/73/01/398847301.db2.gz XKXJOGIFHXZJBB-IBGZPJMESA-N 1 2 322.408 2.865 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180302018 199143313 /nfs/dbraw/zinc/14/33/13/199143313.db2.gz FZDSROYXPIERQB-ZNMIVQPWSA-N 1 2 322.474 2.760 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180302018 199143314 /nfs/dbraw/zinc/14/33/14/199143314.db2.gz FZDSROYXPIERQB-ZNMIVQPWSA-N 1 2 322.474 2.760 20 30 DFEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598726164 398862837 /nfs/dbraw/zinc/86/28/37/398862837.db2.gz OKOXMLMUDQBTKW-INIZCTEOSA-N 1 2 317.433 2.544 20 30 DFEDLO N#Cc1ccccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076709237 398866607 /nfs/dbraw/zinc/86/66/07/398866607.db2.gz CPVJDTCVTCHXLN-OAHLLOKOSA-N 1 2 306.369 2.808 20 30 DFEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000054006366 398887055 /nfs/dbraw/zinc/88/70/55/398887055.db2.gz FLQCTCSDFLYWHG-INIZCTEOSA-N 1 2 310.401 2.893 20 30 DFEDLO N#CC1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000141162742 398893995 /nfs/dbraw/zinc/89/39/95/398893995.db2.gz KFYTWBXINMZKEF-UHFFFAOYSA-N 1 2 304.357 2.555 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000598946530 398895562 /nfs/dbraw/zinc/89/55/62/398895562.db2.gz IWEIOZMEBKIGAA-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000598946530 398895566 /nfs/dbraw/zinc/89/55/66/398895566.db2.gz IWEIOZMEBKIGAA-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000186960752 200038671 /nfs/dbraw/zinc/03/86/71/200038671.db2.gz DDVAPUYQAHZGAB-UHFFFAOYSA-N 1 2 317.820 2.798 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000599021770 398908646 /nfs/dbraw/zinc/90/86/46/398908646.db2.gz FLIBJVNTPNUFLD-CJNGLKHVSA-N 1 2 308.385 2.503 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000187701296 200146996 /nfs/dbraw/zinc/14/69/96/200146996.db2.gz AQXAIVMASKJDRT-KGLIPLIRSA-N 1 2 314.458 2.728 20 30 DFEDLO C/C(=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000055007437 398916345 /nfs/dbraw/zinc/91/63/45/398916345.db2.gz BXTISQCGWMCAAP-NTCAYCPXSA-N 1 2 309.413 2.559 20 30 DFEDLO Cc1nc(N2CC(Nc3cccc(C#N)c3)C2)c2c([nH+]1)CCCC2 ZINC000599112212 398922486 /nfs/dbraw/zinc/92/24/86/398922486.db2.gz VWRYVXNDDXTMBQ-UHFFFAOYSA-N 1 2 319.412 2.836 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000077790478 398925326 /nfs/dbraw/zinc/92/53/26/398925326.db2.gz JFSVZMUSVDCXSN-UHFFFAOYSA-N 1 2 308.813 2.624 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153178096 398935273 /nfs/dbraw/zinc/93/52/73/398935273.db2.gz PXLNCYGELKYQMZ-NSHDSACASA-N 1 2 323.322 2.841 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153178096 398935275 /nfs/dbraw/zinc/93/52/75/398935275.db2.gz PXLNCYGELKYQMZ-NSHDSACASA-N 1 2 323.322 2.841 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599299364 398950705 /nfs/dbraw/zinc/95/07/05/398950705.db2.gz DVGKABZWPPQWCL-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599299364 398950706 /nfs/dbraw/zinc/95/07/06/398950706.db2.gz DVGKABZWPPQWCL-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000078433350 398955791 /nfs/dbraw/zinc/95/57/91/398955791.db2.gz ZQJZASFZHSNSBA-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccc(C#N)cc1 ZINC000604559775 398958872 /nfs/dbraw/zinc/95/88/72/398958872.db2.gz RQUDAXUNMVGWAG-LBPRGKRZSA-N 1 2 317.356 2.785 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1C#N ZINC000599353780 398959825 /nfs/dbraw/zinc/95/98/25/398959825.db2.gz PVNKXGOAVYKNMS-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO Cc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1C#N ZINC000599353780 398959831 /nfs/dbraw/zinc/95/98/31/398959831.db2.gz PVNKXGOAVYKNMS-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncccc1C#N ZINC000078503456 398961594 /nfs/dbraw/zinc/96/15/94/398961594.db2.gz FSUBSEXYCDVBPJ-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296038357 291276760 /nfs/dbraw/zinc/27/67/60/291276760.db2.gz OACUOBPGNQEGCV-HZPDHXFCSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296038357 291276761 /nfs/dbraw/zinc/27/67/61/291276761.db2.gz OACUOBPGNQEGCV-HZPDHXFCSA-N 1 2 316.401 2.519 20 30 DFEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000281564678 216387389 /nfs/dbraw/zinc/38/73/89/216387389.db2.gz CFWPTFLUXSQESS-GXFFZTMASA-N 1 2 321.446 2.674 20 30 DFEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000281564678 216387393 /nfs/dbraw/zinc/38/73/93/216387393.db2.gz CFWPTFLUXSQESS-GXFFZTMASA-N 1 2 321.446 2.674 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)CC2 ZINC000599508012 398998717 /nfs/dbraw/zinc/99/87/17/398998717.db2.gz MAFQEOUUQSBAME-KSSFIOAISA-N 1 2 314.433 2.733 20 30 DFEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614524 399000619 /nfs/dbraw/zinc/00/06/19/399000619.db2.gz IUNZBSTWUAOIHH-CHWSQXEVSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614524 399000621 /nfs/dbraw/zinc/00/06/21/399000621.db2.gz IUNZBSTWUAOIHH-CHWSQXEVSA-N 1 2 316.361 2.547 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616143 399003113 /nfs/dbraw/zinc/00/31/13/399003113.db2.gz QHDXHECMAYTPFA-LSDHHAIUSA-N 1 2 315.417 2.956 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616143 399003115 /nfs/dbraw/zinc/00/31/15/399003115.db2.gz QHDXHECMAYTPFA-LSDHHAIUSA-N 1 2 315.417 2.956 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000595617292 399004758 /nfs/dbraw/zinc/00/47/58/399004758.db2.gz XXTVPZSDGYJIBK-MRXNPFEDSA-N 1 2 310.401 2.980 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000595617292 399004759 /nfs/dbraw/zinc/00/47/59/399004759.db2.gz XXTVPZSDGYJIBK-MRXNPFEDSA-N 1 2 310.401 2.980 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000595619433 399004697 /nfs/dbraw/zinc/00/46/97/399004697.db2.gz AZXSPFRENGPJOX-LBPRGKRZSA-N 1 2 318.446 2.586 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000595619433 399004699 /nfs/dbraw/zinc/00/46/99/399004699.db2.gz AZXSPFRENGPJOX-LBPRGKRZSA-N 1 2 318.446 2.586 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595621067 399006049 /nfs/dbraw/zinc/00/60/49/399006049.db2.gz SAOIOTRAAPUYDS-MRXNPFEDSA-N 1 2 320.458 2.785 20 30 DFEDLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595621067 399006053 /nfs/dbraw/zinc/00/60/53/399006053.db2.gz SAOIOTRAAPUYDS-MRXNPFEDSA-N 1 2 320.458 2.785 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000271806967 209232530 /nfs/dbraw/zinc/23/25/30/209232530.db2.gz QEYZMXYQBNYNBE-UHFFFAOYSA-N 1 2 312.398 2.752 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582296 399020676 /nfs/dbraw/zinc/02/06/76/399020676.db2.gz MOKHVOLIQNJWQV-CJNGLKHVSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582296 399020677 /nfs/dbraw/zinc/02/06/77/399020677.db2.gz MOKHVOLIQNJWQV-CJNGLKHVSA-N 1 2 315.417 2.753 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000170931609 399026915 /nfs/dbraw/zinc/02/69/15/399026915.db2.gz HPMFIKRUMAUCOW-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO Cc1noc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608638 399028433 /nfs/dbraw/zinc/02/84/33/399028433.db2.gz YLARYSHDYVASDZ-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608638 399028435 /nfs/dbraw/zinc/02/84/35/399028435.db2.gz YLARYSHDYVASDZ-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO CC(C)(C#N)CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315358 399032464 /nfs/dbraw/zinc/03/24/64/399032464.db2.gz MAUIBEDFJNSWKW-AWEZNQCLSA-N 1 2 300.337 2.694 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595687381 399035073 /nfs/dbraw/zinc/03/50/73/399035073.db2.gz CBDRZAXATLZBPQ-APHBMKBZSA-N 1 2 301.365 2.603 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595687384 399035415 /nfs/dbraw/zinc/03/54/15/399035415.db2.gz CBDRZAXATLZBPQ-VBNZEHGJSA-N 1 2 301.365 2.603 20 30 DFEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1F ZINC000091923380 193126411 /nfs/dbraw/zinc/12/64/11/193126411.db2.gz YNYLCODGKXFKQT-UHFFFAOYSA-N 1 2 315.348 2.621 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)cc1Cl ZINC000595702256 399044352 /nfs/dbraw/zinc/04/43/52/399044352.db2.gz WOHJJDRDZCHZCH-FZMZJTMJSA-N 1 2 321.808 2.959 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C#N)cc1Cl ZINC000595702257 399044434 /nfs/dbraw/zinc/04/44/34/399044434.db2.gz WOHJJDRDZCHZCH-RISCZKNCSA-N 1 2 321.808 2.959 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)c(C#N)c1C ZINC000595704205 399045854 /nfs/dbraw/zinc/04/58/54/399045854.db2.gz QWHIXADWOSNEPJ-WHOFXGATSA-N 1 2 314.389 2.767 20 30 DFEDLO COC(=O)[C@@]1([NH2+]CCOc2ccc(C#N)cc2)CC[C@@H](C)CC1 ZINC000595708092 399047250 /nfs/dbraw/zinc/04/72/50/399047250.db2.gz GZQZHXOTNQXBHV-PPUGGXLSSA-N 1 2 316.401 2.649 20 30 DFEDLO C=CCCSCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000595719589 399052833 /nfs/dbraw/zinc/05/28/33/399052833.db2.gz AMFKIWNLHSUHHP-UHFFFAOYSA-N 1 2 318.446 2.751 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000599670362 399055070 /nfs/dbraw/zinc/05/50/70/399055070.db2.gz JGIZNOBWPOMQTR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000599670362 399055071 /nfs/dbraw/zinc/05/50/71/399055071.db2.gz JGIZNOBWPOMQTR-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000599676876 399057059 /nfs/dbraw/zinc/05/70/59/399057059.db2.gz CPTSAYQOCYABSI-UHFFFAOYSA-N 1 2 323.352 2.925 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000599676876 399057064 /nfs/dbraw/zinc/05/70/64/399057064.db2.gz CPTSAYQOCYABSI-UHFFFAOYSA-N 1 2 323.352 2.925 20 30 DFEDLO C=C(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275286097 212249752 /nfs/dbraw/zinc/24/97/52/212249752.db2.gz XDCDIVMPSKFXCA-CQSZACIVSA-N 1 2 303.406 2.777 20 30 DFEDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000057845011 399066453 /nfs/dbraw/zinc/06/64/53/399066453.db2.gz FQBWIRRUNYQGSL-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000057845011 399066456 /nfs/dbraw/zinc/06/64/56/399066456.db2.gz FQBWIRRUNYQGSL-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000079651585 399072276 /nfs/dbraw/zinc/07/22/76/399072276.db2.gz RORMYQCSSZAJIC-OAHLLOKOSA-N 1 2 306.369 2.808 20 30 DFEDLO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755655 399070964 /nfs/dbraw/zinc/07/09/64/399070964.db2.gz CIGIXNPNNVFAMG-ZFWWWQNUSA-N 1 2 321.218 2.789 20 30 DFEDLO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755655 399070966 /nfs/dbraw/zinc/07/09/66/399070966.db2.gz CIGIXNPNNVFAMG-ZFWWWQNUSA-N 1 2 321.218 2.789 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000618284589 399071346 /nfs/dbraw/zinc/07/13/46/399071346.db2.gz UZDGVBXHZVCWAS-CQSZACIVSA-N 1 2 310.438 2.749 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000618284589 399071352 /nfs/dbraw/zinc/07/13/52/399071352.db2.gz UZDGVBXHZVCWAS-CQSZACIVSA-N 1 2 310.438 2.749 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000595779513 399081867 /nfs/dbraw/zinc/08/18/67/399081867.db2.gz BKUXTGCGLIANGK-MNOVXSKESA-N 1 2 321.446 2.674 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000595779513 399081871 /nfs/dbraw/zinc/08/18/71/399081871.db2.gz BKUXTGCGLIANGK-MNOVXSKESA-N 1 2 321.446 2.674 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(OC)cc1 ZINC000092217524 193174624 /nfs/dbraw/zinc/17/46/24/193174624.db2.gz XACSASSBOPRICE-UHFFFAOYSA-N 1 2 315.417 2.934 20 30 DFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(OC)cc1 ZINC000092217524 193174625 /nfs/dbraw/zinc/17/46/25/193174625.db2.gz XACSASSBOPRICE-UHFFFAOYSA-N 1 2 315.417 2.934 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000595784931 399083442 /nfs/dbraw/zinc/08/34/42/399083442.db2.gz KPFRGQNGQNMBKQ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000595784931 399083446 /nfs/dbraw/zinc/08/34/46/399083446.db2.gz KPFRGQNGQNMBKQ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600594850 399090929 /nfs/dbraw/zinc/09/09/29/399090929.db2.gz IFTQTBVPRFBMCY-BHYGNILZSA-N 1 2 318.392 2.972 20 30 DFEDLO Cc1cccnc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000093170184 193210198 /nfs/dbraw/zinc/21/01/98/193210198.db2.gz GTXMIHHGZLTWOT-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193611 284157743 /nfs/dbraw/zinc/15/77/43/284157743.db2.gz ZSVQZIGXRHLNCU-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193611 284157744 /nfs/dbraw/zinc/15/77/44/284157744.db2.gz ZSVQZIGXRHLNCU-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340191529 284156272 /nfs/dbraw/zinc/15/62/72/284156272.db2.gz IFPHXLYYMFRVMI-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340191529 284156275 /nfs/dbraw/zinc/15/62/75/284156275.db2.gz IFPHXLYYMFRVMI-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000600033155 399125841 /nfs/dbraw/zinc/12/58/41/399125841.db2.gz SJBDMPHWZZGKNR-YOEHRIQHSA-N 1 2 322.412 2.845 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC2 ZINC000600033153 399125884 /nfs/dbraw/zinc/12/58/84/399125884.db2.gz SJBDMPHWZZGKNR-RHSMWYFYSA-N 1 2 322.412 2.845 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)F)O1 ZINC000595916826 399134425 /nfs/dbraw/zinc/13/44/25/399134425.db2.gz LTVRMKVAWNFOIE-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)F)O1 ZINC000595916826 399134429 /nfs/dbraw/zinc/13/44/29/399134429.db2.gz LTVRMKVAWNFOIE-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO C=CCOc1ccccc1CNc1ncnc2c1C[N@H+](C)CC2 ZINC000264792528 204161142 /nfs/dbraw/zinc/16/11/42/204161142.db2.gz SPSDNOHPPVAEOG-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C=CCOc1ccccc1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000264792528 204161144 /nfs/dbraw/zinc/16/11/44/204161144.db2.gz SPSDNOHPPVAEOG-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185200254 399158635 /nfs/dbraw/zinc/15/86/35/399158635.db2.gz BZPVMIMPBWFTBX-OLZOCXBDSA-N 1 2 320.437 2.607 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185200335 399158919 /nfs/dbraw/zinc/15/89/19/399158919.db2.gz IYLKTYVOQALRKO-STQMWFEESA-N 1 2 322.453 2.831 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761281 335017080 /nfs/dbraw/zinc/01/70/80/335017080.db2.gz KDKLITBJIPZJKJ-OKZBNKHCSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761281 335017081 /nfs/dbraw/zinc/01/70/81/335017081.db2.gz KDKLITBJIPZJKJ-OKZBNKHCSA-N 1 2 319.832 2.553 20 30 DFEDLO C#CCN(C(=O)NCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000062475197 399170373 /nfs/dbraw/zinc/17/03/73/399170373.db2.gz ZBWAQWRROXVRGI-UHFFFAOYSA-N 1 2 310.401 2.812 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000282504446 217046450 /nfs/dbraw/zinc/04/64/50/217046450.db2.gz YKTHSRIOSSUPSR-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000282504446 217046452 /nfs/dbraw/zinc/04/64/52/217046452.db2.gz YKTHSRIOSSUPSR-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(C)c1 ZINC000618593857 399175652 /nfs/dbraw/zinc/17/56/52/399175652.db2.gz DXVHTJQXLIHMAA-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(C)c1 ZINC000618593857 399175657 /nfs/dbraw/zinc/17/56/57/399175657.db2.gz DXVHTJQXLIHMAA-UHFFFAOYSA-N 1 2 318.417 2.657 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000265973572 205010586 /nfs/dbraw/zinc/01/05/86/205010586.db2.gz WKPPAKZWJNUWIK-INIZCTEOSA-N 1 2 309.369 2.789 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080883194 399185358 /nfs/dbraw/zinc/18/53/58/399185358.db2.gz OOAMAJSAJQECLA-LSDHHAIUSA-N 1 2 306.369 2.761 20 30 DFEDLO Cn1ncc(C#N)c1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000596154178 399194408 /nfs/dbraw/zinc/19/44/08/399194408.db2.gz FGLDBDUKTYKMRN-UHFFFAOYSA-N 1 2 320.400 2.733 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000266292284 205241907 /nfs/dbraw/zinc/24/19/07/205241907.db2.gz OKDIDDUOSNTLIJ-UHFFFAOYSA-N 1 2 310.397 2.831 20 30 DFEDLO N#Cc1cc(O)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000614295473 399199421 /nfs/dbraw/zinc/19/94/21/399199421.db2.gz NJAFYERPKIWZOM-UHFFFAOYSA-N 1 2 304.309 2.702 20 30 DFEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000081020191 399203066 /nfs/dbraw/zinc/20/30/66/399203066.db2.gz NGJZPNMPOYULJQ-IILDEKEXSA-N 1 2 303.450 2.695 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000081020191 399203069 /nfs/dbraw/zinc/20/30/69/399203069.db2.gz NGJZPNMPOYULJQ-IILDEKEXSA-N 1 2 303.450 2.695 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601036941 399208102 /nfs/dbraw/zinc/20/81/02/399208102.db2.gz JGZGLXDIBSQHGP-UHFFFAOYSA-N 1 2 308.385 2.567 20 30 DFEDLO N#Cc1cc(O)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000614364083 399218006 /nfs/dbraw/zinc/21/80/06/399218006.db2.gz JCPAEMLEZVFLTF-UHFFFAOYSA-N 1 2 322.299 2.841 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285150222 335021340 /nfs/dbraw/zinc/02/13/40/335021340.db2.gz UDCLDOPQXCJFLD-LSDHHAIUSA-N 1 2 320.437 2.542 20 30 DFEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc2cccc(F)c12 ZINC000563809416 335023773 /nfs/dbraw/zinc/02/37/73/335023773.db2.gz QWQMGVUHBYCUBP-INIZCTEOSA-N 1 2 319.405 2.923 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000192223751 335023954 /nfs/dbraw/zinc/02/39/54/335023954.db2.gz DEJOJMVXDPRNQB-GOSISDBHSA-N 1 2 314.429 2.704 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000192223751 335023956 /nfs/dbraw/zinc/02/39/56/335023956.db2.gz DEJOJMVXDPRNQB-GOSISDBHSA-N 1 2 314.429 2.704 20 30 DFEDLO N#Cc1cnc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000601187433 399250499 /nfs/dbraw/zinc/25/04/99/399250499.db2.gz STYXHGWIPCGTGA-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO Cc1cc[nH+]c([C@@H]2CCN(c3cc(C#N)nc(C4CC4)n3)C2)c1 ZINC000601187089 399250560 /nfs/dbraw/zinc/25/05/60/399250560.db2.gz NOQPLCSFZWLKPE-CQSZACIVSA-N 1 2 305.385 2.923 20 30 DFEDLO C[C@@H](c1nccs1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192189929 335027309 /nfs/dbraw/zinc/02/73/09/335027309.db2.gz OWRJHTVCSCEEIF-INIZCTEOSA-N 1 2 311.454 2.873 20 30 DFEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601240918 399262526 /nfs/dbraw/zinc/26/25/26/399262526.db2.gz QYEXZYPVQPGZGC-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608436148 399264005 /nfs/dbraw/zinc/26/40/05/399264005.db2.gz HDQKHYMHJLCRPH-GDBMZVCRSA-N 1 2 312.417 2.968 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000267948771 206354283 /nfs/dbraw/zinc/35/42/83/206354283.db2.gz GEBHSVOZCGMSTL-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO C[C@@H](C#N)CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000601367840 399282154 /nfs/dbraw/zinc/28/21/54/399282154.db2.gz BVNFRULNUOPMFQ-AWEZNQCLSA-N 1 2 308.385 2.565 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609131300 399304555 /nfs/dbraw/zinc/30/45/55/399304555.db2.gz MJAOISOZQRELSB-KRWDZBQOSA-N 1 2 308.385 2.551 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c(F)c1 ZINC000609234775 399310116 /nfs/dbraw/zinc/31/01/16/399310116.db2.gz NECNLUMJAQPUQF-SFHVURJKSA-N 1 2 323.371 2.807 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(CCC#N)CC(C)(C)C)[nH+]c12 ZINC000609191776 399308406 /nfs/dbraw/zinc/30/84/06/399308406.db2.gz STRRBURCCAFTFI-UHFFFAOYSA-N 1 2 312.417 2.974 20 30 DFEDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000609257233 399310989 /nfs/dbraw/zinc/31/09/89/399310989.db2.gz DPTFCGBFJROFDV-CYBMUJFWSA-N 1 2 323.400 2.702 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCc2ccccc21 ZINC000609513068 399320703 /nfs/dbraw/zinc/32/07/03/399320703.db2.gz OGZRAYIVAYBJGG-CQSZACIVSA-N 1 2 318.384 2.882 20 30 DFEDLO Cc1ccnc(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)c1C#N ZINC000284635127 218108647 /nfs/dbraw/zinc/10/86/47/218108647.db2.gz TWGDAGIAWOMALZ-OAHLLOKOSA-N 1 2 311.389 2.575 20 30 DFEDLO CC[N@H+](CCCNC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615528426 399348308 /nfs/dbraw/zinc/34/83/08/399348308.db2.gz CSZUUIRRCOXULS-QGZVFWFLSA-N 1 2 318.396 2.550 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615528426 399348312 /nfs/dbraw/zinc/34/83/12/399348312.db2.gz CSZUUIRRCOXULS-QGZVFWFLSA-N 1 2 318.396 2.550 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC2(C1)CCCCC2 ZINC000610280803 399353202 /nfs/dbraw/zinc/35/32/02/399353202.db2.gz COHNGWYWSOLSAB-UHFFFAOYSA-N 1 2 310.405 2.901 20 30 DFEDLO COC[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000610279258 399353367 /nfs/dbraw/zinc/35/33/67/399353367.db2.gz NBKHKKLIPJNBFY-OAHLLOKOSA-N 1 2 322.372 2.540 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2n1C ZINC000610310341 399356288 /nfs/dbraw/zinc/35/62/88/399356288.db2.gz RZIBCFSBOBCQHB-UHFFFAOYSA-N 1 2 319.368 2.804 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610391126 399362871 /nfs/dbraw/zinc/36/28/71/399362871.db2.gz UJKDPUHVPMRLQQ-YOEHRIQHSA-N 1 2 316.405 2.822 20 30 DFEDLO CCN(CCC#N)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000610432704 399367157 /nfs/dbraw/zinc/36/71/57/399367157.db2.gz HIESUDWUTBKOOZ-UHFFFAOYSA-N 1 2 307.195 2.832 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000610448011 399368741 /nfs/dbraw/zinc/36/87/41/399368741.db2.gz IMWOVYGKMVELAB-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000610448011 399368744 /nfs/dbraw/zinc/36/87/44/399368744.db2.gz IMWOVYGKMVELAB-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000610448011 399368746 /nfs/dbraw/zinc/36/87/46/399368746.db2.gz IMWOVYGKMVELAB-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000610448011 399368749 /nfs/dbraw/zinc/36/87/49/399368749.db2.gz IMWOVYGKMVELAB-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO N#CC1(C[C@@H](O)Cn2cc[nH+]c2-c2ccccc2)CCOCC1 ZINC000601953383 399368014 /nfs/dbraw/zinc/36/80/14/399368014.db2.gz FQGIOXFDZSFHKI-MRXNPFEDSA-N 1 2 311.385 2.621 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610453157 399369477 /nfs/dbraw/zinc/36/94/77/399369477.db2.gz WXCWDLUCUMEPKR-XJKSGUPXSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610453157 399369482 /nfs/dbraw/zinc/36/94/82/399369482.db2.gz WXCWDLUCUMEPKR-XJKSGUPXSA-N 1 2 316.401 2.662 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cn2ccccc12 ZINC000601977497 399373014 /nfs/dbraw/zinc/37/30/14/399373014.db2.gz UZBHJVGHERFJQD-OAHLLOKOSA-N 1 2 305.328 2.667 20 30 DFEDLO N#Cc1c(C[N@H+]2CCO[C@@H](C(F)F)CC2)cn2ccccc12 ZINC000601977497 399373018 /nfs/dbraw/zinc/37/30/18/399373018.db2.gz UZBHJVGHERFJQD-OAHLLOKOSA-N 1 2 305.328 2.667 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000619716070 399381598 /nfs/dbraw/zinc/38/15/98/399381598.db2.gz MKJIMLUASOSNCA-LBPRGKRZSA-N 1 2 303.280 2.745 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000619716070 399381599 /nfs/dbraw/zinc/38/15/99/399381599.db2.gz MKJIMLUASOSNCA-LBPRGKRZSA-N 1 2 303.280 2.745 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000619719980 399382545 /nfs/dbraw/zinc/38/25/45/399382545.db2.gz QQKJURZCFYNTPD-CQSZACIVSA-N 1 2 309.793 2.911 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000619724594 399383579 /nfs/dbraw/zinc/38/35/79/399383579.db2.gz KCQVAGIORNITJU-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000619724594 399383584 /nfs/dbraw/zinc/38/35/84/399383584.db2.gz KCQVAGIORNITJU-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177500 399405648 /nfs/dbraw/zinc/40/56/48/399405648.db2.gz AMJAAEISVVDQJA-SRVKXCTJSA-N 1 2 314.311 2.575 20 30 DFEDLO N#CCc1ccnc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000610791336 399407329 /nfs/dbraw/zinc/40/73/29/399407329.db2.gz LPYFXAJEVOZORP-UHFFFAOYSA-N 1 2 317.352 2.645 20 30 DFEDLO C[N@H+](CCOC(C)(C)C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610859755 399413165 /nfs/dbraw/zinc/41/31/65/399413165.db2.gz LGSAGQSQZMEBJJ-UHFFFAOYSA-N 1 2 314.389 2.855 20 30 DFEDLO C[N@@H+](CCOC(C)(C)C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610859755 399413167 /nfs/dbraw/zinc/41/31/67/399413167.db2.gz LGSAGQSQZMEBJJ-UHFFFAOYSA-N 1 2 314.389 2.855 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000616047305 399415642 /nfs/dbraw/zinc/41/56/42/399415642.db2.gz KOGHCTGNDIRPIU-BXKDBHETSA-N 1 2 312.200 2.990 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(C(F)F)cc1 ZINC000602331138 399425750 /nfs/dbraw/zinc/42/57/50/399425750.db2.gz ACWUSVOHLOFAQP-MRXNPFEDSA-N 1 2 309.360 2.517 20 30 DFEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000610993428 399426221 /nfs/dbraw/zinc/42/62/21/399426221.db2.gz RFOASPAOMOVUPT-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000610993428 399426223 /nfs/dbraw/zinc/42/62/23/399426223.db2.gz RFOASPAOMOVUPT-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000611121584 399436217 /nfs/dbraw/zinc/43/62/17/399436217.db2.gz XTRYYPQDMWISJP-CJNGLKHVSA-N 1 2 323.400 2.552 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153791 399439299 /nfs/dbraw/zinc/43/92/99/399439299.db2.gz RCVQVFFTTLGAJD-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153791 399439302 /nfs/dbraw/zinc/43/93/02/399439302.db2.gz RCVQVFFTTLGAJD-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000611175979 399441271 /nfs/dbraw/zinc/44/12/71/399441271.db2.gz PTGITOLOMKHTNL-UHFFFAOYSA-N 1 2 322.412 2.905 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[NH+]3CC4(C3)CC(F)(F)C4)o2)cc1 ZINC000611180305 399442876 /nfs/dbraw/zinc/44/28/76/399442876.db2.gz BDIQCVSRGVUWTP-UHFFFAOYSA-N 1 2 316.311 2.839 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180284 399442919 /nfs/dbraw/zinc/44/29/19/399442919.db2.gz AVBXLDOPJGHSLF-NSHDSACASA-N 1 2 305.328 2.616 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616302768 399447414 /nfs/dbraw/zinc/44/74/14/399447414.db2.gz KKXOIFHNRJFJGK-HOTGVXAUSA-N 1 2 309.413 2.818 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616302768 399447417 /nfs/dbraw/zinc/44/74/17/399447417.db2.gz KKXOIFHNRJFJGK-HOTGVXAUSA-N 1 2 309.413 2.818 20 30 DFEDLO CC1(Nc2[nH+]cnc3c2cnn3CCC#N)Cc2ccccc2C1 ZINC000611256926 399452746 /nfs/dbraw/zinc/45/27/46/399452746.db2.gz FJNKUIAUHXNCMM-UHFFFAOYSA-N 1 2 318.384 2.709 20 30 DFEDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611387301 399468557 /nfs/dbraw/zinc/46/85/57/399468557.db2.gz JRQMWLPDHCCTTN-VXGBXAGGSA-N 1 2 300.362 2.890 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000611430549 399475646 /nfs/dbraw/zinc/47/56/46/399475646.db2.gz FGYOEXAMXFOTFY-INIZCTEOSA-N 1 2 312.417 2.966 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000611430549 399475648 /nfs/dbraw/zinc/47/56/48/399475648.db2.gz FGYOEXAMXFOTFY-INIZCTEOSA-N 1 2 312.417 2.966 20 30 DFEDLO CN(CCO)c1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]c1 ZINC000611475663 399480305 /nfs/dbraw/zinc/48/03/05/399480305.db2.gz WSLBVAOGOBWUNB-GOSISDBHSA-N 1 2 322.412 2.871 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1snc(OC)c1Br ZINC000602609600 399489435 /nfs/dbraw/zinc/48/94/35/399489435.db2.gz DPGWIEBVSBISCY-ZETCQYMHSA-N 1 2 304.213 2.696 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccns3)CC2)c(Cl)c1 ZINC000602634491 399497799 /nfs/dbraw/zinc/49/77/99/399497799.db2.gz RIXFKAUKWQGJIG-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC000425545598 335047449 /nfs/dbraw/zinc/04/74/49/335047449.db2.gz UOYPUXCUGLCPQB-HXUWFJFHSA-N 1 2 318.420 2.601 20 30 DFEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccccc1 ZINC000425545598 335047448 /nfs/dbraw/zinc/04/74/48/335047448.db2.gz UOYPUXCUGLCPQB-HXUWFJFHSA-N 1 2 318.420 2.601 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000616772646 399510916 /nfs/dbraw/zinc/51/09/16/399510916.db2.gz JVBKBMMIEZCGFL-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000119902840 195059202 /nfs/dbraw/zinc/05/92/02/195059202.db2.gz RBVIATLYTQBCNU-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO Cc1cc(N2CCN(c3cnccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000269950528 208001235 /nfs/dbraw/zinc/00/12/35/208001235.db2.gz JDAYZSONVSZLMN-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(C(=O)OC(C)(C)C)n1 ZINC000602700834 399527703 /nfs/dbraw/zinc/52/77/03/399527703.db2.gz WSXOFEPIOLRIEM-UHFFFAOYSA-N 1 2 318.421 2.549 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602706777 399531316 /nfs/dbraw/zinc/53/13/16/399531316.db2.gz MBAXGJSWMKZJKT-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602706777 399531320 /nfs/dbraw/zinc/53/13/20/399531320.db2.gz MBAXGJSWMKZJKT-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)C(=O)OC ZINC000602733523 399546711 /nfs/dbraw/zinc/54/67/11/399546711.db2.gz JAXPPSNOLIPCRR-DZGCQCFKSA-N 1 2 321.417 2.819 20 30 DFEDLO C=C(C)C[C@H](NCc1[nH+]ccn1Cc1ccccc1)C(=O)OC ZINC000602735166 399548297 /nfs/dbraw/zinc/54/82/97/399548297.db2.gz SZVVORJKOZWLPB-INIZCTEOSA-N 1 2 313.401 2.529 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000602747918 399555313 /nfs/dbraw/zinc/55/53/13/399555313.db2.gz JETNPESHCXANPP-UHFFFAOYSA-N 1 2 318.471 2.903 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602758250 399558498 /nfs/dbraw/zinc/55/84/98/399558498.db2.gz FPUXXDRJNMZUBN-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000602758250 399558500 /nfs/dbraw/zinc/55/85/00/399558500.db2.gz FPUXXDRJNMZUBN-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO CCOC(=O)c1ncc(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000602760379 399559666 /nfs/dbraw/zinc/55/96/66/399559666.db2.gz RPCJXHGFDIJLHJ-UHFFFAOYSA-N 1 2 315.398 2.823 20 30 DFEDLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000602760379 399559669 /nfs/dbraw/zinc/55/96/69/399559669.db2.gz RPCJXHGFDIJLHJ-UHFFFAOYSA-N 1 2 315.398 2.823 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158461206 197274311 /nfs/dbraw/zinc/27/43/11/197274311.db2.gz KGSUERPYWDVJND-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(CCCC2)C1 ZINC000158461206 197274312 /nfs/dbraw/zinc/27/43/12/197274312.db2.gz KGSUERPYWDVJND-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000288295721 335051452 /nfs/dbraw/zinc/05/14/52/335051452.db2.gz WAUCZYJSAQCDEG-KRWDZBQOSA-N 1 2 323.440 2.588 20 30 DFEDLO C=CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000271353947 208840158 /nfs/dbraw/zinc/84/01/58/208840158.db2.gz DRAGLODBNLLZEE-UHFFFAOYSA-N 1 2 314.364 2.871 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000612113534 399585563 /nfs/dbraw/zinc/58/55/63/399585563.db2.gz OIFJUQUQIDTKGQ-SFHVURJKSA-N 1 2 323.400 2.708 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000612163035 399595475 /nfs/dbraw/zinc/59/54/75/399595475.db2.gz NJSSIWWUAUDONJ-JFIYKMOQSA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000612163035 399595481 /nfs/dbraw/zinc/59/54/81/399595481.db2.gz NJSSIWWUAUDONJ-JFIYKMOQSA-N 1 2 303.450 2.793 20 30 DFEDLO COc1ccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c([N+](=O)[O-])c1 ZINC000612163258 399595575 /nfs/dbraw/zinc/59/55/75/399595575.db2.gz UTRHVTUFRXHYNS-MRXNPFEDSA-N 1 2 319.361 2.608 20 30 DFEDLO COc1ccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)c([N+](=O)[O-])c1 ZINC000612163258 399595579 /nfs/dbraw/zinc/59/55/79/399595579.db2.gz UTRHVTUFRXHYNS-MRXNPFEDSA-N 1 2 319.361 2.608 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162695 399595688 /nfs/dbraw/zinc/59/56/88/399595688.db2.gz LVNYUHGNIVZUGN-GOSISDBHSA-N 1 2 317.408 2.800 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162695 399595692 /nfs/dbraw/zinc/59/56/92/399595692.db2.gz LVNYUHGNIVZUGN-GOSISDBHSA-N 1 2 317.408 2.800 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156438296 197113416 /nfs/dbraw/zinc/11/34/16/197113416.db2.gz KDJZSECSMFVPMF-IRXDYDNUSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156438296 197113417 /nfs/dbraw/zinc/11/34/17/197113417.db2.gz KDJZSECSMFVPMF-IRXDYDNUSA-N 1 2 312.369 2.567 20 30 DFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602862164 399607638 /nfs/dbraw/zinc/60/76/38/399607638.db2.gz MRSLNWPKABFKQI-HZSPNIEDSA-N 1 2 304.438 2.951 20 30 DFEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602862164 399607643 /nfs/dbraw/zinc/60/76/43/399607643.db2.gz MRSLNWPKABFKQI-HZSPNIEDSA-N 1 2 304.438 2.951 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000602864727 399607926 /nfs/dbraw/zinc/60/79/26/399607926.db2.gz VDANNSAFWIAKOM-JTQLQIEISA-N 1 2 314.216 2.544 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000602863239 399607945 /nfs/dbraw/zinc/60/79/45/399607945.db2.gz MAWGYKMBDMKAEV-SNVBAGLBSA-N 1 2 314.216 2.844 20 30 DFEDLO CC(C)c1n[nH]c(CC2CC[NH+](Cc3ccncc3C#N)CC2)n1 ZINC000602867225 399608575 /nfs/dbraw/zinc/60/85/75/399608575.db2.gz ZBAIDIPLTVWWTL-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](Cc3ccncc3C#N)CC2)[nH]1 ZINC000602867225 399608582 /nfs/dbraw/zinc/60/85/82/399608582.db2.gz ZBAIDIPLTVWWTL-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO CC(C)c1nc(CC2CC[NH+](Cc3ccncc3C#N)CC2)n[nH]1 ZINC000602867225 399608586 /nfs/dbraw/zinc/60/85/86/399608586.db2.gz ZBAIDIPLTVWWTL-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602867438 399608730 /nfs/dbraw/zinc/60/87/30/399608730.db2.gz BXXFKTMOILUQKI-WMLDXEAASA-N 1 2 315.417 2.641 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@H](c2ccccc2)C1 ZINC000052029106 542445673 /nfs/dbraw/zinc/44/56/73/542445673.db2.gz LVYJPOFBEBPVHM-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@H](c2ccccc2)C1 ZINC000052029106 542445676 /nfs/dbraw/zinc/44/56/76/542445676.db2.gz LVYJPOFBEBPVHM-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602882289 399614699 /nfs/dbraw/zinc/61/46/99/399614699.db2.gz BUNPHGZSJLIKDQ-CYBMUJFWSA-N 1 2 302.374 2.607 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602882289 399614704 /nfs/dbraw/zinc/61/47/04/399614704.db2.gz BUNPHGZSJLIKDQ-CYBMUJFWSA-N 1 2 302.374 2.607 20 30 DFEDLO C=CCN(C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC000271570859 209021618 /nfs/dbraw/zinc/02/16/18/209021618.db2.gz PTMHTTOSDMFRPL-OAHLLOKOSA-N 1 2 323.387 2.928 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602900013 399620098 /nfs/dbraw/zinc/62/00/98/399620098.db2.gz WXCXRTCAKBIUCC-HNNXBMFYSA-N 1 2 307.401 2.878 20 30 DFEDLO Cc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1C1CC1 ZINC000602906423 399622394 /nfs/dbraw/zinc/62/23/94/399622394.db2.gz IHKKBANBTWFMKJ-UHFFFAOYSA-N 1 2 322.416 2.568 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000620901224 399627351 /nfs/dbraw/zinc/62/73/51/399627351.db2.gz SIZDGHQANQLFJN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/64/37/80/399643780.db2.gz ICZOMPRUMJFZGU-HOCLYGCPSA-N 1 2 319.836 2.623 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405925 399644808 /nfs/dbraw/zinc/64/48/08/399644808.db2.gz FDXAJUOOKWQJNE-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405925 399644812 /nfs/dbraw/zinc/64/48/12/399644812.db2.gz FDXAJUOOKWQJNE-KRWDZBQOSA-N 1 2 304.390 2.838 20 30 DFEDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977385 399645393 /nfs/dbraw/zinc/64/53/93/399645393.db2.gz AKVQYLLWKTZQJH-ZFWWWQNUSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977385 399645399 /nfs/dbraw/zinc/64/53/99/399645399.db2.gz AKVQYLLWKTZQJH-ZFWWWQNUSA-N 1 2 305.809 2.580 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602976014 399645739 /nfs/dbraw/zinc/64/57/39/399645739.db2.gz JTCILUVEBRUODI-ROUUACIJSA-N 1 2 313.445 2.831 20 30 DFEDLO 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C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347795096 267000351 /nfs/dbraw/zinc/00/03/51/267000351.db2.gz ZRSNAVWKIBZQRM-LBPRGKRZSA-N 1 2 308.341 2.981 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347795096 267000355 /nfs/dbraw/zinc/00/03/55/267000355.db2.gz ZRSNAVWKIBZQRM-LBPRGKRZSA-N 1 2 308.341 2.981 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000432059117 267016111 /nfs/dbraw/zinc/01/61/11/267016111.db2.gz FFQISIOTCYKZJW-UHFFFAOYSA-N 1 2 310.405 2.534 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000432059117 267016115 /nfs/dbraw/zinc/01/61/15/267016115.db2.gz FFQISIOTCYKZJW-UHFFFAOYSA-N 1 2 310.405 2.534 20 30 DFEDLO C[C@@H]1CCN(c2nccc(C#N)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000342629879 267023764 /nfs/dbraw/zinc/02/37/64/267023764.db2.gz BNRANDNXGQCZKU-DGCLKSJQSA-N 1 2 301.781 2.891 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000487917752 267069155 /nfs/dbraw/zinc/06/91/55/267069155.db2.gz LJGSDCPMWUAKQJ-AWEZNQCLSA-N 1 2 308.447 2.512 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000487917752 267069158 /nfs/dbraw/zinc/06/91/58/267069158.db2.gz LJGSDCPMWUAKQJ-AWEZNQCLSA-N 1 2 308.447 2.512 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000428238269 267203658 /nfs/dbraw/zinc/20/36/58/267203658.db2.gz OIQRNAFPFUZZFX-JKSUJKDBSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CN1C(C)=O ZINC000428238269 267203662 /nfs/dbraw/zinc/20/36/62/267203662.db2.gz OIQRNAFPFUZZFX-JKSUJKDBSA-N 1 2 317.408 2.919 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000456360405 267256629 /nfs/dbraw/zinc/25/66/29/267256629.db2.gz RRNKQCRASKREOO-ZDUSSCGKSA-N 1 2 308.385 2.684 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000454352565 267257744 /nfs/dbraw/zinc/25/77/44/267257744.db2.gz WHOZNIOEBFJDHO-QWHCGFSZSA-N 1 2 311.389 2.896 20 30 DFEDLO CN(C)c1[nH+]cc(CN(Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000425325917 267295577 /nfs/dbraw/zinc/29/55/77/267295577.db2.gz NAWVMHVLFLGUBV-UHFFFAOYSA-N 1 2 309.417 2.522 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425254121 267321428 /nfs/dbraw/zinc/32/14/28/267321428.db2.gz DIWOBBFIGGHZSL-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(C#N)nnc2ccccc21 ZINC000428677567 267322438 /nfs/dbraw/zinc/32/24/38/267322438.db2.gz FGZXRYCIDCPPAB-UHFFFAOYSA-N 1 2 318.384 2.671 20 30 DFEDLO Cc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)nc[nH+]1 ZINC000343525296 267335646 /nfs/dbraw/zinc/33/56/46/267335646.db2.gz OUMVGIXCOAUHTN-UHFFFAOYSA-N 1 2 312.348 2.844 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000349100953 267389131 /nfs/dbraw/zinc/38/91/31/267389131.db2.gz XFGVTPYTDWJLQB-HNNXBMFYSA-N 1 2 309.373 2.873 20 30 DFEDLO COc1ccc([C@@H](OC)[C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425246890 267641846 /nfs/dbraw/zinc/64/18/46/267641846.db2.gz MQOWIOYVNAQFCB-ACJLOTCBSA-N 1 2 311.385 2.880 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008161532 425662258 /nfs/dbraw/zinc/66/22/58/425662258.db2.gz WKZGVRBBSJJQEF-CQSZACIVSA-N 1 2 311.838 2.642 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008161532 425662263 /nfs/dbraw/zinc/66/22/63/425662263.db2.gz WKZGVRBBSJJQEF-CQSZACIVSA-N 1 2 311.838 2.642 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000455979855 267964625 /nfs/dbraw/zinc/96/46/25/267964625.db2.gz FAGCESDCPYYYBL-UHFFFAOYSA-N 1 2 309.373 2.721 20 30 DFEDLO N#Cc1cc2c(nc1NC1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000363434165 268025295 /nfs/dbraw/zinc/02/52/95/268025295.db2.gz WCHNUPUBUOBGME-UHFFFAOYSA-N 1 2 319.412 2.918 20 30 DFEDLO N#Cc1ccc(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000345680469 268057137 /nfs/dbraw/zinc/05/71/37/268057137.db2.gz FJYVMQYNEFQECF-UHFFFAOYSA-N 1 2 324.771 2.718 20 30 DFEDLO Cc1cn2cc(NC(=O)NCc3cc(C#N)ccc3F)ccc2[nH+]1 ZINC000438124106 268070264 /nfs/dbraw/zinc/07/02/64/268070264.db2.gz FIWOETHUMUGIFM-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194318204 268098460 /nfs/dbraw/zinc/09/84/60/268098460.db2.gz BQIXUWWXSZCJTQ-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3ccoc3C)CC2)c1C#N ZINC000414452647 268102748 /nfs/dbraw/zinc/10/27/48/268102748.db2.gz LMKCOMDGFPCZCZ-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC(C)=C[C@H](C)C2)c(C#N)c1C ZINC000430286101 268105217 /nfs/dbraw/zinc/10/52/17/268105217.db2.gz WMVNCMSTXRAIEN-GXFFZTMASA-N 1 2 301.390 2.993 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC(C)=C[C@H](C)C2)c(C#N)c1C ZINC000430286101 268105219 /nfs/dbraw/zinc/10/52/19/268105219.db2.gz WMVNCMSTXRAIEN-GXFFZTMASA-N 1 2 301.390 2.993 20 30 DFEDLO Cn1c(C#N)ccc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000450289537 268114967 /nfs/dbraw/zinc/11/49/67/268114967.db2.gz SIJQEPXATNQSSK-UHFFFAOYSA-N 1 2 319.368 2.913 20 30 DFEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cn1 ZINC000349868691 268127507 /nfs/dbraw/zinc/12/75/07/268127507.db2.gz NQFOMSHRYISSTA-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000411863345 268134215 /nfs/dbraw/zinc/13/42/15/268134215.db2.gz ZJVMHDZKXVSFRE-UHFFFAOYSA-N 1 2 300.793 2.894 20 30 DFEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000411863345 268134217 /nfs/dbraw/zinc/13/42/17/268134217.db2.gz ZJVMHDZKXVSFRE-UHFFFAOYSA-N 1 2 300.793 2.894 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000428300595 268163770 /nfs/dbraw/zinc/16/37/70/268163770.db2.gz HUNGVQGIBQDHSB-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000428300595 268163772 /nfs/dbraw/zinc/16/37/72/268163772.db2.gz HUNGVQGIBQDHSB-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccn3)CC2)c(F)c1 ZINC000353028267 268166395 /nfs/dbraw/zinc/16/63/95/268166395.db2.gz ZEIRPOZDXDWYOQ-UHFFFAOYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451894915 268180789 /nfs/dbraw/zinc/18/07/89/268180789.db2.gz SKJQLWPXLHAWSB-ZWNOBZJWSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451894915 268180791 /nfs/dbraw/zinc/18/07/91/268180791.db2.gz SKJQLWPXLHAWSB-ZWNOBZJWSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000426133664 268244590 /nfs/dbraw/zinc/24/45/90/268244590.db2.gz MOAMEVDKVGTUJZ-UHFFFAOYSA-N 1 2 315.764 2.840 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)c1 ZINC000340536185 268244926 /nfs/dbraw/zinc/24/49/26/268244926.db2.gz XXIJTSRSQNSHIC-SFHVURJKSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000340536185 268244928 /nfs/dbraw/zinc/24/49/28/268244928.db2.gz XXIJTSRSQNSHIC-SFHVURJKSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000340536185 268244929 /nfs/dbraw/zinc/24/49/29/268244929.db2.gz XXIJTSRSQNSHIC-SFHVURJKSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000438637024 268245165 /nfs/dbraw/zinc/24/51/65/268245165.db2.gz MTHWXVKWXFBDIY-UHFFFAOYSA-N 1 2 323.278 2.595 20 30 DFEDLO N#Cc1cccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c1F ZINC000340902473 268245882 /nfs/dbraw/zinc/24/58/82/268245882.db2.gz PUPNHEZKNRDABZ-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1cccc(C[N@H+](CCC2CCCCC2)CC(N)=O)c1F ZINC000340902473 268245883 /nfs/dbraw/zinc/24/58/83/268245883.db2.gz PUPNHEZKNRDABZ-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3ccccn3c1C#N)C2 ZINC000272908706 268253496 /nfs/dbraw/zinc/25/34/96/268253496.db2.gz NMKBMACGKOFOCR-UHFFFAOYSA-N 1 2 320.400 2.626 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000491577649 268268945 /nfs/dbraw/zinc/26/89/45/268268945.db2.gz YRUOQFFKPYASPV-KTKRTIGZSA-N 1 2 320.396 2.975 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOCC3CCC3)CCO2)c1 ZINC000419227560 268288131 /nfs/dbraw/zinc/28/81/31/268288131.db2.gz KVXFRGOULOCZEW-SFHVURJKSA-N 1 2 300.402 2.748 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOCC3CCC3)CCO2)c1 ZINC000419227560 268288132 /nfs/dbraw/zinc/28/81/32/268288132.db2.gz KVXFRGOULOCZEW-SFHVURJKSA-N 1 2 300.402 2.748 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000425231525 268293037 /nfs/dbraw/zinc/29/30/37/268293037.db2.gz DOOOSKOCVDGDTF-AWEZNQCLSA-N 1 2 310.313 2.519 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C[C@H](C)C#N ZINC000049982515 425881114 /nfs/dbraw/zinc/88/11/14/425881114.db2.gz JWMFVUZZYGEMJV-OLZOCXBDSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C[C@H](C)C#N ZINC000049982515 425881115 /nfs/dbraw/zinc/88/11/15/425881115.db2.gz JWMFVUZZYGEMJV-OLZOCXBDSA-N 1 2 307.825 2.999 20 30 DFEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000050049700 425881357 /nfs/dbraw/zinc/88/13/57/425881357.db2.gz RDIKRDXAVFQWAS-UHFFFAOYSA-N 1 2 323.347 2.662 20 30 DFEDLO C=C(C)C[N@H+](CC)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000050049700 425881358 /nfs/dbraw/zinc/88/13/58/425881358.db2.gz RDIKRDXAVFQWAS-UHFFFAOYSA-N 1 2 323.347 2.662 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000126075533 426003874 /nfs/dbraw/zinc/00/38/74/426003874.db2.gz YDXBENMOXMWOOM-HOCLYGCPSA-N 1 2 324.384 2.509 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000103226149 425939647 /nfs/dbraw/zinc/93/96/47/425939647.db2.gz SVPJALQQWLMUBM-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157944095 425941279 /nfs/dbraw/zinc/94/12/79/425941279.db2.gz DHYHHOGVAGQHFW-HNNXBMFYSA-N 1 2 316.449 2.591 20 30 DFEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000103469501 425948561 /nfs/dbraw/zinc/94/85/61/425948561.db2.gz OGXUZZZHSRJMGL-UHFFFAOYSA-N 1 2 316.430 2.673 20 30 DFEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000103469501 425948564 /nfs/dbraw/zinc/94/85/64/425948564.db2.gz OGXUZZZHSRJMGL-UHFFFAOYSA-N 1 2 316.430 2.673 20 30 DFEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccn1 ZINC000125384045 425969239 /nfs/dbraw/zinc/96/92/39/425969239.db2.gz JBUZXNJTZBSBGQ-UHFFFAOYSA-N 1 2 314.433 2.588 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccn1 ZINC000125384045 425969242 /nfs/dbraw/zinc/96/92/42/425969242.db2.gz JBUZXNJTZBSBGQ-UHFFFAOYSA-N 1 2 314.433 2.588 20 30 DFEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)N(C)CCC#N ZINC000070787444 425975857 /nfs/dbraw/zinc/97/58/57/425975857.db2.gz WZEFRFYWXBCBRX-PBHICJAKSA-N 1 2 311.385 2.719 20 30 DFEDLO N#Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000161908318 426045363 /nfs/dbraw/zinc/04/53/63/426045363.db2.gz AMFOXDDDSGKEHA-CYBMUJFWSA-N 1 2 323.356 2.800 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1Cl ZINC000161989133 426048899 /nfs/dbraw/zinc/04/88/99/426048899.db2.gz KIMPAOXLZJOAKD-AWEZNQCLSA-N 1 2 308.809 2.745 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1Cl ZINC000161989133 426048902 /nfs/dbraw/zinc/04/89/02/426048902.db2.gz KIMPAOXLZJOAKD-AWEZNQCLSA-N 1 2 308.809 2.745 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc(C#N)c2)c1 ZINC000074435227 426050205 /nfs/dbraw/zinc/05/02/05/426050205.db2.gz UAJOTGXGPBMANJ-UHFFFAOYSA-N 1 2 316.364 2.982 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000126257623 426012528 /nfs/dbraw/zinc/01/25/28/426012528.db2.gz WAMKLJRWBFGHAH-AWEZNQCLSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CCOc1cccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000126257623 426012529 /nfs/dbraw/zinc/01/25/29/426012529.db2.gz WAMKLJRWBFGHAH-AWEZNQCLSA-N 1 2 323.458 2.649 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000128277057 426109505 /nfs/dbraw/zinc/10/95/05/426109505.db2.gz WTSOQAOCOZYIDK-CYBMUJFWSA-N 1 2 307.463 2.712 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128624310 426125567 /nfs/dbraw/zinc/12/55/67/426125567.db2.gz MWRWLSOTMIRPIG-LSDHHAIUSA-N 1 2 322.474 2.935 20 30 DFEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000112643667 426086821 /nfs/dbraw/zinc/08/68/21/426086821.db2.gz VQGBVSVAACEASM-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000112643667 426086824 /nfs/dbraw/zinc/08/68/24/426086824.db2.gz VQGBVSVAACEASM-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000135050225 426204216 /nfs/dbraw/zinc/20/42/16/426204216.db2.gz WTARATYZCPBVJH-MAUKXSAKSA-N 1 2 301.434 2.889 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115545216 426166352 /nfs/dbraw/zinc/16/63/52/426166352.db2.gz CHFXMIIELIKKLE-SFHVURJKSA-N 1 2 323.396 2.615 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115545216 426166353 /nfs/dbraw/zinc/16/63/53/426166353.db2.gz CHFXMIIELIKKLE-SFHVURJKSA-N 1 2 323.396 2.615 20 30 DFEDLO CC(C)Oc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597839 426168811 /nfs/dbraw/zinc/16/88/11/426168811.db2.gz KWLKIVUWLLQRRJ-GOSISDBHSA-N 1 2 323.396 2.662 20 30 DFEDLO CC(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078687198 426180392 /nfs/dbraw/zinc/18/03/92/426180392.db2.gz PYQIEMHMWGFZMA-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO CC(C)c1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078687198 426180395 /nfs/dbraw/zinc/18/03/95/426180395.db2.gz PYQIEMHMWGFZMA-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078687198 426180398 /nfs/dbraw/zinc/18/03/98/426180398.db2.gz PYQIEMHMWGFZMA-UHFFFAOYSA-N 1 2 315.461 2.858 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133837411 426184132 /nfs/dbraw/zinc/18/41/32/426184132.db2.gz XJJBQWGRRQKDQK-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133837411 426184135 /nfs/dbraw/zinc/18/41/35/426184135.db2.gz XJJBQWGRRQKDQK-UGSOOPFHSA-N 1 2 317.408 2.627 20 30 DFEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000118414618 426235819 /nfs/dbraw/zinc/23/58/19/426235819.db2.gz HXPOSQUJDPLXRR-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000118414618 426235822 /nfs/dbraw/zinc/23/58/22/426235822.db2.gz HXPOSQUJDPLXRR-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO C=CCNc1ncc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000136234931 426238485 /nfs/dbraw/zinc/23/84/85/426238485.db2.gz AZSDWKMRLZUGKB-LLVKDONJSA-N 1 2 317.418 2.832 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000135166156 426207484 /nfs/dbraw/zinc/20/74/84/426207484.db2.gz GBNNCPCDBNEEEO-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000135166156 426207485 /nfs/dbraw/zinc/20/74/85/426207485.db2.gz GBNNCPCDBNEEEO-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000175283438 426294843 /nfs/dbraw/zinc/29/48/43/426294843.db2.gz OLVRLPCXKWECAI-GOSISDBHSA-N 1 2 316.445 2.841 20 30 DFEDLO C=CC[N@H+](Cc1cn2cccnc2n1)Cc1cccc(C#N)c1 ZINC000119655423 426301575 /nfs/dbraw/zinc/30/15/75/426301575.db2.gz BKOIBYJKJPKJBT-UHFFFAOYSA-N 1 2 303.369 2.789 20 30 DFEDLO C=CC[N@@H+](Cc1cn2cccnc2n1)Cc1cccc(C#N)c1 ZINC000119655423 426301577 /nfs/dbraw/zinc/30/15/77/426301577.db2.gz BKOIBYJKJPKJBT-UHFFFAOYSA-N 1 2 303.369 2.789 20 30 DFEDLO C=CCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176606131 426397988 /nfs/dbraw/zinc/39/79/88/426397988.db2.gz KHZCEAWUEHRFOA-KGLIPLIRSA-N 1 2 308.447 2.592 20 30 DFEDLO C=CCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176606131 426397990 /nfs/dbraw/zinc/39/79/90/426397990.db2.gz KHZCEAWUEHRFOA-KGLIPLIRSA-N 1 2 308.447 2.592 20 30 DFEDLO N#CCCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccccn1 ZINC000093100460 426353027 /nfs/dbraw/zinc/35/30/27/426353027.db2.gz PJSJWVWTSFBOLU-UHFFFAOYSA-N 1 2 316.368 2.517 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000093390677 426354043 /nfs/dbraw/zinc/35/40/43/426354043.db2.gz LXNVSQMRCFFJCN-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000093390677 426354047 /nfs/dbraw/zinc/35/40/47/426354047.db2.gz LXNVSQMRCFFJCN-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1 ZINC000176983604 426430461 /nfs/dbraw/zinc/43/04/61/426430461.db2.gz DVXJRUXFSNASGM-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1 ZINC000176983604 426430465 /nfs/dbraw/zinc/43/04/65/426430465.db2.gz DVXJRUXFSNASGM-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccn1 ZINC000340773259 269011188 /nfs/dbraw/zinc/01/11/88/269011188.db2.gz GTFFRMLSHQSLIO-LBPRGKRZSA-N 1 2 305.341 2.854 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@H]2C)c(C#N)c1C ZINC000177264961 426461738 /nfs/dbraw/zinc/46/17/38/426461738.db2.gz OESUDGPJNVXQOV-SECBINFHSA-N 1 2 309.460 2.612 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@H]2C)c(C#N)c1C ZINC000177264961 426461741 /nfs/dbraw/zinc/46/17/41/426461741.db2.gz OESUDGPJNVXQOV-SECBINFHSA-N 1 2 309.460 2.612 20 30 DFEDLO C[C@@H](CNC(=O)c1cccc(SCC#N)c1)Cn1cc[nH+]c1 ZINC000177307780 426467109 /nfs/dbraw/zinc/46/71/09/426467109.db2.gz QHCYDRZBQWVOEE-ZDUSSCGKSA-N 1 2 314.414 2.565 20 30 DFEDLO Cc1ncccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155283323 426468183 /nfs/dbraw/zinc/46/81/83/426468183.db2.gz JXYMGPZVVIVKIE-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000098072135 426477570 /nfs/dbraw/zinc/47/75/70/426477570.db2.gz CAIMRAZDYLCQGU-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000098072135 426477574 /nfs/dbraw/zinc/47/75/74/426477574.db2.gz CAIMRAZDYLCQGU-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000264172712 426510018 /nfs/dbraw/zinc/51/00/18/426510018.db2.gz ZSXXFCRJTMDWAS-GFCCVEGCSA-N 1 2 312.373 2.854 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000264337866 426539172 /nfs/dbraw/zinc/53/91/72/426539172.db2.gz BEWZBPWGXCAZPI-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000264337866 426539175 /nfs/dbraw/zinc/53/91/75/426539175.db2.gz BEWZBPWGXCAZPI-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO Cc1cc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)on1 ZINC000186290730 426500571 /nfs/dbraw/zinc/50/05/71/426500571.db2.gz KJEWQNBMOBDZKN-OAHLLOKOSA-N 1 2 310.401 2.734 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)on1 ZINC000186290730 426500572 /nfs/dbraw/zinc/50/05/72/426500572.db2.gz KJEWQNBMOBDZKN-OAHLLOKOSA-N 1 2 310.401 2.734 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000264137751 426503200 /nfs/dbraw/zinc/50/32/00/426503200.db2.gz PWAZIRHXJRWLKH-KOLCDFICSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000264137751 426503206 /nfs/dbraw/zinc/50/32/06/426503206.db2.gz PWAZIRHXJRWLKH-KOLCDFICSA-N 1 2 307.419 2.532 20 30 DFEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264590265 426576095 /nfs/dbraw/zinc/57/60/95/426576095.db2.gz YVNKGKPKIZXLGX-MRXNPFEDSA-N 1 2 302.374 2.507 20 30 DFEDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264590265 426576096 /nfs/dbraw/zinc/57/60/96/426576096.db2.gz YVNKGKPKIZXLGX-MRXNPFEDSA-N 1 2 302.374 2.507 20 30 DFEDLO C[N@H+](Cc1cnc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289174899 426598650 /nfs/dbraw/zinc/59/86/50/426598650.db2.gz SGQNYOGGEZABHU-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO C[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1cccc(C#N)c1 ZINC000289174899 426598653 /nfs/dbraw/zinc/59/86/53/426598653.db2.gz SGQNYOGGEZABHU-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCCCNc1cccc[nH+]1 ZINC000264448629 426555862 /nfs/dbraw/zinc/55/58/62/426555862.db2.gz HMAVCNFFHHMIPR-UHFFFAOYSA-N 1 2 312.333 2.561 20 30 DFEDLO C=C(Cl)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265554826 426654045 /nfs/dbraw/zinc/65/40/45/426654045.db2.gz RWFYXXAUBGUOAO-ZDUSSCGKSA-N 1 2 323.824 2.954 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000265562961 426655036 /nfs/dbraw/zinc/65/50/36/426655036.db2.gz SSRVDDCCHJDWSI-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#CC[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000265641930 426666123 /nfs/dbraw/zinc/66/61/23/426666123.db2.gz KBXDTQHPWGOJMB-KRWDZBQOSA-N 1 2 322.836 2.986 20 30 DFEDLO N#CC[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000265641930 426666127 /nfs/dbraw/zinc/66/61/27/426666127.db2.gz KBXDTQHPWGOJMB-KRWDZBQOSA-N 1 2 322.836 2.986 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000187532347 426669914 /nfs/dbraw/zinc/66/99/14/426669914.db2.gz VMJKUKSNQRSFBC-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000273240077 426623733 /nfs/dbraw/zinc/62/37/33/426623733.db2.gz TZURBFIVMJIEFG-UHFFFAOYSA-N 1 2 309.369 2.676 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000281202246 426704416 /nfs/dbraw/zinc/70/44/16/426704416.db2.gz BXIRLQNDXSCDAG-MRXNPFEDSA-N 1 2 317.433 2.995 20 30 DFEDLO C=C(Br)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000178862342 426710908 /nfs/dbraw/zinc/71/09/08/426710908.db2.gz HBIQSUTXVMGANT-SNVBAGLBSA-N 1 2 307.232 2.740 20 30 DFEDLO C=C(Br)C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000178862342 426710910 /nfs/dbraw/zinc/71/09/10/426710910.db2.gz HBIQSUTXVMGANT-SNVBAGLBSA-N 1 2 307.232 2.740 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3ccccc3)n2)C1=O ZINC000281402471 426717745 /nfs/dbraw/zinc/71/77/45/426717745.db2.gz XPMBMNZNGQLIEA-INIZCTEOSA-N 1 2 311.385 2.560 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3ccccc3)n2)C1=O ZINC000281402471 426717753 /nfs/dbraw/zinc/71/77/53/426717753.db2.gz XPMBMNZNGQLIEA-INIZCTEOSA-N 1 2 311.385 2.560 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000245770461 426770709 /nfs/dbraw/zinc/77/07/09/426770709.db2.gz KJOAPWRKLKRFFI-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000245770461 426770712 /nfs/dbraw/zinc/77/07/12/426770712.db2.gz KJOAPWRKLKRFFI-DOMZBBRYSA-N 1 2 305.809 2.927 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000188697990 426779162 /nfs/dbraw/zinc/77/91/62/426779162.db2.gz TZARRHRFHORXKS-GOSISDBHSA-N 1 2 313.401 2.717 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000274240409 426727720 /nfs/dbraw/zinc/72/77/20/426727720.db2.gz HESURVSKJJEHEY-CYBMUJFWSA-N 1 2 309.329 2.552 20 30 DFEDLO C=CCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000188194680 426730645 /nfs/dbraw/zinc/73/06/45/426730645.db2.gz LDMWGQIVJNDRQI-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000274284547 426737296 /nfs/dbraw/zinc/73/72/96/426737296.db2.gz WGXZIPPKZHZCML-AWEZNQCLSA-N 1 2 323.356 2.800 20 30 DFEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000245570093 426754146 /nfs/dbraw/zinc/75/41/46/426754146.db2.gz WRXUIZSYOBERTB-RBSFLKMASA-N 1 2 319.474 2.693 20 30 DFEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)C(F)(F)F ZINC000189516196 426875406 /nfs/dbraw/zinc/87/54/06/426875406.db2.gz GKTXLIQVCGEVRV-GFCCVEGCSA-N 1 2 306.715 2.957 20 30 DFEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)C(F)(F)F ZINC000189516196 426875413 /nfs/dbraw/zinc/87/54/13/426875413.db2.gz GKTXLIQVCGEVRV-GFCCVEGCSA-N 1 2 306.715 2.957 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000267354250 426877051 /nfs/dbraw/zinc/87/70/51/426877051.db2.gz VPHSBVVPFDBETD-UHFFFAOYSA-N 1 2 303.793 2.542 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000267354250 426877056 /nfs/dbraw/zinc/87/70/56/426877056.db2.gz VPHSBVVPFDBETD-UHFFFAOYSA-N 1 2 303.793 2.542 20 30 DFEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000181003606 426906482 /nfs/dbraw/zinc/90/64/82/426906482.db2.gz NYZTUGJXNWTKKP-MRXNPFEDSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268257683 426965662 /nfs/dbraw/zinc/96/56/62/426965662.db2.gz LNXBHFGDEXWTMU-BLLLJJGKSA-N 1 2 311.345 2.750 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000276038208 426972540 /nfs/dbraw/zinc/97/25/40/426972540.db2.gz VLMPXRCZCHZWFY-RDTXWAMCSA-N 1 2 317.433 2.730 20 30 DFEDLO CS[C@@H]1CCCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328600980 426980588 /nfs/dbraw/zinc/98/05/88/426980588.db2.gz DSFNRHYGUUDGHX-UONOGXRCSA-N 1 2 322.478 2.892 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1cccnc1)CCC2 ZINC000328693570 426988642 /nfs/dbraw/zinc/98/86/42/426988642.db2.gz FRCYFFHTPKSRQT-HNNXBMFYSA-N 1 2 313.405 2.510 20 30 DFEDLO CC[C@H](NC(=O)c1coc(C2CCOCC2)n1)c1[nH]cc[nH+]1 ZINC000328706966 426989968 /nfs/dbraw/zinc/98/99/68/426989968.db2.gz AMKXYVGTRWNZSU-NSHDSACASA-N 1 2 304.350 2.748 20 30 DFEDLO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000291610822 426927251 /nfs/dbraw/zinc/92/72/51/426927251.db2.gz JKTLDGQHTCGTIW-SFHVURJKSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000291610822 426927258 /nfs/dbraw/zinc/92/72/58/426927258.db2.gz JKTLDGQHTCGTIW-SFHVURJKSA-N 1 2 322.412 2.575 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCCCCNc1cccc[nH+]1 ZINC000275874026 426935515 /nfs/dbraw/zinc/93/55/15/426935515.db2.gz ZHMXQVBUDVJLFQ-QGZVFWFLSA-N 1 2 305.422 2.619 20 30 DFEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C[C@H](C)O1 ZINC000328928897 427013106 /nfs/dbraw/zinc/01/31/06/427013106.db2.gz YFSGGLAPFUBDTG-APIJFGDWSA-N 1 2 324.465 2.836 20 30 DFEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C[C@H](C)O1 ZINC000328928897 427013118 /nfs/dbraw/zinc/01/31/18/427013118.db2.gz YFSGGLAPFUBDTG-APIJFGDWSA-N 1 2 324.465 2.836 20 30 DFEDLO C[C@]1(F)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584870 427013191 /nfs/dbraw/zinc/01/31/91/427013191.db2.gz ZTVULOFWNBPEFD-WMZOPIPTSA-N 1 2 315.392 2.878 20 30 DFEDLO C[C@]1(F)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000295584870 427013196 /nfs/dbraw/zinc/01/31/96/427013196.db2.gz ZTVULOFWNBPEFD-WMZOPIPTSA-N 1 2 315.392 2.878 20 30 DFEDLO CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000328942366 427016229 /nfs/dbraw/zinc/01/62/29/427016229.db2.gz UBFPKYNQMCWLNE-ARFHVFGLSA-N 1 2 324.465 2.695 20 30 DFEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329021429 427028633 /nfs/dbraw/zinc/02/86/33/427028633.db2.gz MEFZUDVZERBHHC-MCIONIFRSA-N 1 2 305.422 2.996 20 30 DFEDLO C#CC[N@@H+](Cn1cc2[nH]cccc-2c1=O)[C@@H]1CCc2ccccc21 ZINC000190203961 427044430 /nfs/dbraw/zinc/04/44/30/427044430.db2.gz QXPLCFBJARGZFW-LJQANCHMSA-N 1 2 317.392 2.618 20 30 DFEDLO C#CC[N@H+](Cn1cc2[nH]cccc-2c1=O)[C@@H]1CCc2ccccc21 ZINC000190203961 427044436 /nfs/dbraw/zinc/04/44/36/427044436.db2.gz QXPLCFBJARGZFW-LJQANCHMSA-N 1 2 317.392 2.618 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CC12CCCCC2 ZINC000329118482 427046470 /nfs/dbraw/zinc/04/64/70/427046470.db2.gz ONBSTAVVDLFHMR-AWEZNQCLSA-N 1 2 302.422 2.946 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCOCC1)C1CCOCC1 ZINC000329102253 427047076 /nfs/dbraw/zinc/04/70/76/427047076.db2.gz ZYSBWNAXGCKOPB-MRXNPFEDSA-N 1 2 321.421 2.661 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248847989 427049525 /nfs/dbraw/zinc/04/95/25/427049525.db2.gz NPBASONSIBDESH-ACJLOTCBSA-N 1 2 313.376 2.998 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248847989 427049534 /nfs/dbraw/zinc/04/95/34/427049534.db2.gz NPBASONSIBDESH-ACJLOTCBSA-N 1 2 313.376 2.998 20 30 DFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2CC(C)(C)C2)nc[nH+]1 ZINC000329203678 427065429 /nfs/dbraw/zinc/06/54/29/427065429.db2.gz XHRVYYDXNQTDTR-ZDUSSCGKSA-N 1 2 317.437 2.880 20 30 DFEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2CC(C)(C)C2)[nH+]cn1 ZINC000329203678 427065434 /nfs/dbraw/zinc/06/54/34/427065434.db2.gz XHRVYYDXNQTDTR-ZDUSSCGKSA-N 1 2 317.437 2.880 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337971239 427066104 /nfs/dbraw/zinc/06/61/04/427066104.db2.gz HMCGIMUDGSBKRK-MRXNPFEDSA-N 1 2 307.353 2.555 20 30 DFEDLO C=CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000276456399 427074775 /nfs/dbraw/zinc/07/47/75/427074775.db2.gz QEFAZQITFREAHI-GFCCVEGCSA-N 1 2 315.186 2.623 20 30 DFEDLO C=CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000276456399 427074778 /nfs/dbraw/zinc/07/47/78/427074778.db2.gz QEFAZQITFREAHI-GFCCVEGCSA-N 1 2 315.186 2.623 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000292060529 427075852 /nfs/dbraw/zinc/07/58/52/427075852.db2.gz BZEVXLXIJBXERD-CYBMUJFWSA-N 1 2 315.323 2.885 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000292060529 427075859 /nfs/dbraw/zinc/07/58/59/427075859.db2.gz BZEVXLXIJBXERD-CYBMUJFWSA-N 1 2 315.323 2.885 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329261443 427076607 /nfs/dbraw/zinc/07/66/07/427076607.db2.gz DAYXKIMKHWCNSW-ZACQAIPSSA-N 1 2 324.465 2.505 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329261443 427076609 /nfs/dbraw/zinc/07/66/09/427076609.db2.gz DAYXKIMKHWCNSW-ZACQAIPSSA-N 1 2 324.465 2.505 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ccnc(C#N)c1)CCCC2 ZINC000283870370 427089312 /nfs/dbraw/zinc/08/93/12/427089312.db2.gz UWBVGNKBQWUXBU-KRWDZBQOSA-N 1 2 307.401 2.907 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000338022183 427098440 /nfs/dbraw/zinc/09/84/40/427098440.db2.gz GAUXNEIHKWUUID-OAHLLOKOSA-N 1 2 312.373 2.698 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000338022183 427098448 /nfs/dbraw/zinc/09/84/48/427098448.db2.gz GAUXNEIHKWUUID-OAHLLOKOSA-N 1 2 312.373 2.698 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329434907 427116954 /nfs/dbraw/zinc/11/69/54/427116954.db2.gz IPYOUSCNCFTRDH-GFCCVEGCSA-N 1 2 314.345 2.911 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329476623 427121203 /nfs/dbraw/zinc/12/12/03/427121203.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)[nH]1 ZINC000329476623 427121209 /nfs/dbraw/zinc/12/12/09/427121209.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)n1 ZINC000329476623 427121215 /nfs/dbraw/zinc/12/12/15/427121215.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)n1 ZINC000329476623 427121222 /nfs/dbraw/zinc/12/12/22/427121222.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329476623 427121228 /nfs/dbraw/zinc/12/12/28/427121228.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)n[nH]1 ZINC000329476623 427121236 /nfs/dbraw/zinc/12/12/36/427121236.db2.gz PNFASZVOENYPOX-OAHLLOKOSA-N 1 2 319.453 2.829 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329477720 427121409 /nfs/dbraw/zinc/12/14/09/427121409.db2.gz UOWTUINFAQLYPJ-LBPRGKRZSA-N 1 2 318.373 2.504 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCOCC2(CC2)C1 ZINC000329477720 427121417 /nfs/dbraw/zinc/12/14/17/427121417.db2.gz UOWTUINFAQLYPJ-LBPRGKRZSA-N 1 2 318.373 2.504 20 30 DFEDLO COC1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329523702 427133540 /nfs/dbraw/zinc/13/35/40/427133540.db2.gz GPLBZVQNIDLKCQ-PREGVCBESA-N 1 2 324.465 2.792 20 30 DFEDLO COC1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329523702 427133548 /nfs/dbraw/zinc/13/35/48/427133548.db2.gz GPLBZVQNIDLKCQ-PREGVCBESA-N 1 2 324.465 2.792 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000249949853 427151925 /nfs/dbraw/zinc/15/19/25/427151925.db2.gz IPRJTKHHSXQZKS-SWLSCSKDSA-N 1 2 322.836 2.991 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000249949853 427151935 /nfs/dbraw/zinc/15/19/35/427151935.db2.gz IPRJTKHHSXQZKS-SWLSCSKDSA-N 1 2 322.836 2.991 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C2CC2)O1 ZINC000329891796 427178512 /nfs/dbraw/zinc/17/85/12/427178512.db2.gz IJUQOPKORKCWGX-WBMJQRKESA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C2CC2)O1 ZINC000329891796 427178520 /nfs/dbraw/zinc/17/85/20/427178520.db2.gz IJUQOPKORKCWGX-WBMJQRKESA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C#N)cc1 ZINC000292803103 427202039 /nfs/dbraw/zinc/20/20/39/427202039.db2.gz BPHVCBGFLDCJDB-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(CC(C)C)c2)c1 ZINC000183136851 427206670 /nfs/dbraw/zinc/20/66/70/427206670.db2.gz URUQVFAMNGHTCR-UHFFFAOYSA-N 1 2 324.428 2.591 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(CC(C)C)c2)c1 ZINC000183136851 427206676 /nfs/dbraw/zinc/20/66/76/427206676.db2.gz URUQVFAMNGHTCR-UHFFFAOYSA-N 1 2 324.428 2.591 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000338264605 427221110 /nfs/dbraw/zinc/22/11/10/427221110.db2.gz VDANWXALGVOURP-VIFPVBQESA-N 1 2 311.179 2.769 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000338264605 427221119 /nfs/dbraw/zinc/22/11/19/427221119.db2.gz VDANWXALGVOURP-VIFPVBQESA-N 1 2 311.179 2.769 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000338264604 427221827 /nfs/dbraw/zinc/22/18/27/427221827.db2.gz VDANWXALGVOURP-SECBINFHSA-N 1 2 311.179 2.769 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000338264604 427221832 /nfs/dbraw/zinc/22/18/32/427221832.db2.gz VDANWXALGVOURP-SECBINFHSA-N 1 2 311.179 2.769 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC1CCC(F)(F)CC1 ZINC000330408409 427231331 /nfs/dbraw/zinc/23/13/31/427231331.db2.gz JOUFMZQGKPCTNX-UHFFFAOYSA-N 1 2 300.353 2.591 20 30 DFEDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000338351836 427273051 /nfs/dbraw/zinc/27/30/51/427273051.db2.gz CPERAEXKNMDGOU-NEPJUHHUSA-N 1 2 300.362 2.890 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000191170566 427273362 /nfs/dbraw/zinc/27/33/62/427273362.db2.gz VZWAYDGYTUDHGB-XUWXXGDYSA-N 1 2 323.396 2.584 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000191170566 427273371 /nfs/dbraw/zinc/27/33/71/427273371.db2.gz VZWAYDGYTUDHGB-XUWXXGDYSA-N 1 2 323.396 2.584 20 30 DFEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330773272 427302384 /nfs/dbraw/zinc/30/23/84/427302384.db2.gz FGYGRBHADAOPEM-CYBMUJFWSA-N 1 2 301.390 2.648 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000331136163 427352699 /nfs/dbraw/zinc/35/26/99/427352699.db2.gz KRUMCMJFMGHHSY-CQSZACIVSA-N 1 2 304.438 2.926 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000331136163 427352703 /nfs/dbraw/zinc/35/27/03/427352703.db2.gz KRUMCMJFMGHHSY-CQSZACIVSA-N 1 2 304.438 2.926 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331088777 427343709 /nfs/dbraw/zinc/34/37/09/427343709.db2.gz FUHYHWNVNFZBBI-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331088777 427343712 /nfs/dbraw/zinc/34/37/12/427343712.db2.gz FUHYHWNVNFZBBI-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331119176 427351090 /nfs/dbraw/zinc/35/10/90/427351090.db2.gz NPGYEAWRWQYFIN-QZTJIDSGSA-N 1 2 302.418 2.729 20 30 DFEDLO CC(C)CC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331119176 427351096 /nfs/dbraw/zinc/35/10/96/427351096.db2.gz NPGYEAWRWQYFIN-QZTJIDSGSA-N 1 2 302.418 2.729 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293350414 427296030 /nfs/dbraw/zinc/29/60/30/427296030.db2.gz ZFVYDDAEEYKJMR-SJORKVTESA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293350414 427296034 /nfs/dbraw/zinc/29/60/34/427296034.db2.gz ZFVYDDAEEYKJMR-SJORKVTESA-N 1 2 316.401 2.519 20 30 DFEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255868157 427296860 /nfs/dbraw/zinc/29/68/60/427296860.db2.gz XRVAFYIDLJKIAP-JSGCOSHPSA-N 1 2 313.426 2.571 20 30 DFEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255868157 427296865 /nfs/dbraw/zinc/29/68/65/427296865.db2.gz XRVAFYIDLJKIAP-JSGCOSHPSA-N 1 2 313.426 2.571 20 30 DFEDLO Cc1nn(C)c(C)c1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241776 427378234 /nfs/dbraw/zinc/37/82/34/427378234.db2.gz QJRQBGDHOPBMOH-UHFFFAOYSA-N 1 2 301.394 2.883 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000285887225 427365810 /nfs/dbraw/zinc/36/58/10/427365810.db2.gz ZURAAQOEUYXTAA-HNNXBMFYSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000285887225 427365812 /nfs/dbraw/zinc/36/58/12/427365812.db2.gz ZURAAQOEUYXTAA-HNNXBMFYSA-N 1 2 312.373 2.856 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000183967588 427366975 /nfs/dbraw/zinc/36/69/75/427366975.db2.gz KGWNCHQMUYEDMU-AWEZNQCLSA-N 1 2 315.385 2.799 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000183967588 427366979 /nfs/dbraw/zinc/36/69/79/427366979.db2.gz KGWNCHQMUYEDMU-AWEZNQCLSA-N 1 2 315.385 2.799 20 30 DFEDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(C#N)s3)n2)c1 ZINC000278800873 427457986 /nfs/dbraw/zinc/45/79/86/427457986.db2.gz RKQLDUKVMPWRIP-NSHDSACASA-N 1 2 324.413 2.959 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000297723921 427439267 /nfs/dbraw/zinc/43/92/67/427439267.db2.gz BZRRYTJLAWCFKF-NSHDSACASA-N 1 2 303.797 2.856 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000297723921 427439276 /nfs/dbraw/zinc/43/92/76/427439276.db2.gz BZRRYTJLAWCFKF-NSHDSACASA-N 1 2 303.797 2.856 20 30 DFEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000192232139 427505400 /nfs/dbraw/zinc/50/54/00/427505400.db2.gz IFMCNRAJQUNECD-UHFFFAOYSA-N 1 2 306.163 2.564 20 30 DFEDLO C#CC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000192232139 427505404 /nfs/dbraw/zinc/50/54/04/427505404.db2.gz IFMCNRAJQUNECD-UHFFFAOYSA-N 1 2 306.163 2.564 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000263683293 427539349 /nfs/dbraw/zinc/53/93/49/427539349.db2.gz JLSPYFBEMAVTBL-INIZCTEOSA-N 1 2 324.428 2.692 20 30 DFEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000263683293 427539354 /nfs/dbraw/zinc/53/93/54/427539354.db2.gz JLSPYFBEMAVTBL-INIZCTEOSA-N 1 2 324.428 2.692 20 30 DFEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000192813440 427615535 /nfs/dbraw/zinc/61/55/35/427615535.db2.gz FRCKOTHMCPQPDD-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1OC ZINC000338999262 427616687 /nfs/dbraw/zinc/61/66/87/427616687.db2.gz QKAKOGIBFZDZMX-QGZVFWFLSA-N 1 2 309.381 2.556 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1OC ZINC000338999262 427616690 /nfs/dbraw/zinc/61/66/90/427616690.db2.gz QKAKOGIBFZDZMX-QGZVFWFLSA-N 1 2 309.381 2.556 20 30 DFEDLO C=CCn1cccc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338916591 427559169 /nfs/dbraw/zinc/55/91/69/427559169.db2.gz DNLWAAUIWSPSAC-UHFFFAOYSA-N 1 2 309.373 2.869 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298293382 427561364 /nfs/dbraw/zinc/56/13/64/427561364.db2.gz REEQJVBIMQFGIX-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298293382 427561371 /nfs/dbraw/zinc/56/13/71/427561371.db2.gz REEQJVBIMQFGIX-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO CCn1c2ccc(F)cc2[nH+]c1Cn1ccc(C)c(C#N)c1=O ZINC000185034776 427583599 /nfs/dbraw/zinc/58/35/99/427583599.db2.gz CWVMOBOCLJHUNK-UHFFFAOYSA-N 1 2 310.332 2.585 20 30 DFEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000287363294 427590648 /nfs/dbraw/zinc/59/06/48/427590648.db2.gz SDSBMUGGPTWIDR-UHFFFAOYSA-N 1 2 311.429 2.639 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(C#N)c1)C2 ZINC000332633325 427623769 /nfs/dbraw/zinc/62/37/69/427623769.db2.gz JVIITSRTRFCDTA-OAHLLOKOSA-N 1 2 322.412 2.797 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)nc1 ZINC000332414558 427606664 /nfs/dbraw/zinc/60/66/64/427606664.db2.gz LAQMKNSMBDPOAV-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1C#N ZINC000343906729 272234317 /nfs/dbraw/zinc/23/43/17/272234317.db2.gz JEJORFAGWYXTEW-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C(F)(F)F)cc1C#N ZINC000343906729 272234319 /nfs/dbraw/zinc/23/43/19/272234319.db2.gz JEJORFAGWYXTEW-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000185609969 427681077 /nfs/dbraw/zinc/68/10/77/427681077.db2.gz DLCYNXGSFYQYTF-LBPRGKRZSA-N 1 2 318.471 2.955 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000298713417 427683562 /nfs/dbraw/zinc/68/35/62/427683562.db2.gz LNGBDMAYUXOACF-AWEZNQCLSA-N 1 2 308.385 2.790 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000287735051 427682001 /nfs/dbraw/zinc/68/20/01/427682001.db2.gz KWINGPKFDFRKIG-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000287735051 427682005 /nfs/dbraw/zinc/68/20/05/427682005.db2.gz KWINGPKFDFRKIG-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000193547592 427698375 /nfs/dbraw/zinc/69/83/75/427698375.db2.gz ISQQBKQLRIGPBU-UHFFFAOYSA-N 1 2 320.352 2.786 20 30 DFEDLO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279631391 427714839 /nfs/dbraw/zinc/71/48/39/427714839.db2.gz USCZEDQIRAABIL-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO C=CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000279631391 427714842 /nfs/dbraw/zinc/71/48/42/427714842.db2.gz USCZEDQIRAABIL-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000336795026 427753494 /nfs/dbraw/zinc/75/34/94/427753494.db2.gz HHTMGZNOLRDKMG-ZDUSSCGKSA-N 1 2 309.207 2.666 20 30 DFEDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000336795026 427753495 /nfs/dbraw/zinc/75/34/95/427753495.db2.gz HHTMGZNOLRDKMG-ZDUSSCGKSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339564940 427793563 /nfs/dbraw/zinc/79/35/63/427793563.db2.gz BEDHUIZOZRDXFK-OUAUKWLOSA-N 1 2 303.431 2.776 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339564940 427793565 /nfs/dbraw/zinc/79/35/65/427793565.db2.gz BEDHUIZOZRDXFK-OUAUKWLOSA-N 1 2 303.431 2.776 20 30 DFEDLO Cc1cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)ccc1C#N ZINC000339580055 427795812 /nfs/dbraw/zinc/79/58/12/427795812.db2.gz GLKILPLXVKZBML-UHFFFAOYSA-N 1 2 303.369 2.737 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)nc3)c[nH+]2)C[C@H](C)O1 ZINC000301508197 427800720 /nfs/dbraw/zinc/80/07/20/427800720.db2.gz JTYZDWHSXMXJMI-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)c(C#N)c(C)[nH+]1 ZINC000301756113 427821533 /nfs/dbraw/zinc/82/15/33/427821533.db2.gz DMRRXXVRQIPCPK-UHFFFAOYSA-N 1 2 317.396 2.768 20 30 DFEDLO Cc1cccc(OC[C@H](O)CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301753426 427821974 /nfs/dbraw/zinc/82/19/74/427821974.db2.gz BWBFZIDYJQCQTC-OAHLLOKOSA-N 1 2 311.385 2.730 20 30 DFEDLO Cc1cc(Nc2ccc3c(c2)N(C)C(=O)CO3)c(C#N)c(C)[nH+]1 ZINC000301766232 427822539 /nfs/dbraw/zinc/82/25/39/427822539.db2.gz HKDVPYXCKBUVEG-UHFFFAOYSA-N 1 2 308.341 2.669 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000339766613 427825177 /nfs/dbraw/zinc/82/51/77/427825177.db2.gz RTEVWRPSOGRECD-JTQLQIEISA-N 1 2 305.378 2.718 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000339766613 427825179 /nfs/dbraw/zinc/82/51/79/427825179.db2.gz RTEVWRPSOGRECD-JTQLQIEISA-N 1 2 305.378 2.718 20 30 DFEDLO C=CC[N@H+](CCSC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000337324255 427842960 /nfs/dbraw/zinc/84/29/60/427842960.db2.gz UFFMVQWQLJZYNB-CQSZACIVSA-N 1 2 317.520 2.727 20 30 DFEDLO C=CC[N@@H+](CCSC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000337324255 427842965 /nfs/dbraw/zinc/84/29/65/427842965.db2.gz UFFMVQWQLJZYNB-CQSZACIVSA-N 1 2 317.520 2.727 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1C ZINC000355676984 427844113 /nfs/dbraw/zinc/84/41/13/427844113.db2.gz XVITZSMEINWMDX-GOSISDBHSA-N 1 2 308.381 2.913 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000340036617 427907121 /nfs/dbraw/zinc/90/71/21/427907121.db2.gz QEEMICJLHHUPDU-UHFFFAOYSA-N 1 2 324.384 2.857 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000345808321 427915281 /nfs/dbraw/zinc/91/52/81/427915281.db2.gz MILBXFKJAJHLIU-BRWVUGGUSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000345808321 427915288 /nfs/dbraw/zinc/91/52/88/427915288.db2.gz MILBXFKJAJHLIU-BRWVUGGUSA-N 1 2 318.392 2.713 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000345955681 427964883 /nfs/dbraw/zinc/96/48/83/427964883.db2.gz KVLAWCPPXFKKOS-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000345955681 427964886 /nfs/dbraw/zinc/96/48/86/427964886.db2.gz KVLAWCPPXFKKOS-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO C=C(C)CCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000350750360 427968668 /nfs/dbraw/zinc/96/86/68/427968668.db2.gz VFQIATZSGBHJLB-UHFFFAOYSA-N 1 2 319.474 2.820 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413220772 427992849 /nfs/dbraw/zinc/99/28/49/427992849.db2.gz HLVGIZGUBGBGKZ-ZNMIVQPWSA-N 1 2 304.438 2.840 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413220772 427992858 /nfs/dbraw/zinc/99/28/58/427992858.db2.gz HLVGIZGUBGBGKZ-ZNMIVQPWSA-N 1 2 304.438 2.840 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304640218 427939692 /nfs/dbraw/zinc/93/96/92/427939692.db2.gz WSOOTGKGELCUQZ-SECBINFHSA-N 1 2 302.134 2.674 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304640218 427939696 /nfs/dbraw/zinc/93/96/96/427939696.db2.gz WSOOTGKGELCUQZ-SECBINFHSA-N 1 2 302.134 2.674 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3nnc(C)o3)C2)c1 ZINC000369681081 428033051 /nfs/dbraw/zinc/03/30/51/428033051.db2.gz HUEZWCBGZSHJEF-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3nnc(C)o3)C2)c1 ZINC000369681081 428033052 /nfs/dbraw/zinc/03/30/52/428033052.db2.gz HUEZWCBGZSHJEF-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCCC3)c2)c1Cl ZINC000341355157 428045105 /nfs/dbraw/zinc/04/51/05/428045105.db2.gz IMYGZBIUFHZWFA-UHFFFAOYSA-N 1 2 313.792 3.214 20 30 DFEDLO Cc1nc2[nH]ccc2c(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000341392633 428059463 /nfs/dbraw/zinc/05/94/63/428059463.db2.gz ZJAUEKRGKOTHNC-MRXNPFEDSA-N 1 2 319.368 2.716 20 30 DFEDLO Cc1noc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000359757542 428007525 /nfs/dbraw/zinc/00/75/25/428007525.db2.gz MNNYFBXAVYTJEH-NSHDSACASA-N 1 2 322.372 2.501 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(OC)co1 ZINC000351637120 428104042 /nfs/dbraw/zinc/10/40/42/428104042.db2.gz FEUIMFMQIOWFMJ-UHFFFAOYSA-N 1 2 310.353 2.708 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(OC)co1 ZINC000351637120 428104050 /nfs/dbraw/zinc/10/40/50/428104050.db2.gz FEUIMFMQIOWFMJ-UHFFFAOYSA-N 1 2 310.353 2.708 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000360010542 428113962 /nfs/dbraw/zinc/11/39/62/428113962.db2.gz OFCKTCYYHZFQMP-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc2)n1C ZINC000370109862 428137657 /nfs/dbraw/zinc/13/76/57/428137657.db2.gz GLHKGCXYPHHPMH-INIZCTEOSA-N 1 2 323.425 2.936 20 30 DFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C#N)cs1 ZINC000356334249 428130307 /nfs/dbraw/zinc/13/03/07/428130307.db2.gz IDUUZUWINFAUFL-UHFFFAOYSA-N 1 2 312.398 2.535 20 30 DFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C#N)cs1 ZINC000356334249 428130313 /nfs/dbraw/zinc/13/03/13/428130313.db2.gz IDUUZUWINFAUFL-UHFFFAOYSA-N 1 2 312.398 2.535 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ncnn1C ZINC000356394086 428160081 /nfs/dbraw/zinc/16/00/81/428160081.db2.gz MADYEJXAHGMYOH-SECBINFHSA-N 1 2 309.295 2.556 20 30 DFEDLO Cc1ccc2[nH+]c(CNc3nc4ccccn4c3C#N)cn2c1 ZINC000360146762 428180835 /nfs/dbraw/zinc/18/08/35/428180835.db2.gz GESVHMLPFGUXPF-UHFFFAOYSA-N 1 2 302.341 2.774 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000414108236 428208649 /nfs/dbraw/zinc/20/86/49/428208649.db2.gz GDRYTWFJSFYJGV-SECBINFHSA-N 1 2 319.361 2.791 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000414163364 428222576 /nfs/dbraw/zinc/22/25/76/428222576.db2.gz NBUIKYBRYQYCFJ-KRWDZBQOSA-N 1 2 310.397 2.939 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000414163364 428222582 /nfs/dbraw/zinc/22/25/82/428222582.db2.gz NBUIKYBRYQYCFJ-KRWDZBQOSA-N 1 2 310.397 2.939 20 30 DFEDLO C=CCC[C@@H](O)C[NH2+][C@@H](c1noc(C2CC2)n1)c1ccccc1 ZINC000370502758 428224435 /nfs/dbraw/zinc/22/44/35/428224435.db2.gz JVTUXDVAVKTIDL-HZPDHXFCSA-N 1 2 313.401 2.953 20 30 DFEDLO CC(C)[N@H+](CCOc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000346478860 428187541 /nfs/dbraw/zinc/18/75/41/428187541.db2.gz HGXLTNZJSIXFGS-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000346478860 428187547 /nfs/dbraw/zinc/18/75/47/428187547.db2.gz HGXLTNZJSIXFGS-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000377705044 428203183 /nfs/dbraw/zinc/20/31/83/428203183.db2.gz RWVDOTMPMUHBJF-GFCCVEGCSA-N 1 2 319.405 2.596 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000377705044 428203184 /nfs/dbraw/zinc/20/31/84/428203184.db2.gz RWVDOTMPMUHBJF-GFCCVEGCSA-N 1 2 319.405 2.596 20 30 DFEDLO CCOc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360362597 428267836 /nfs/dbraw/zinc/26/78/36/428267836.db2.gz NJTFVFAJFRXCAH-GOSISDBHSA-N 1 2 323.396 2.615 20 30 DFEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360362597 428267841 /nfs/dbraw/zinc/26/78/41/428267841.db2.gz NJTFVFAJFRXCAH-GOSISDBHSA-N 1 2 323.396 2.615 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)n1 ZINC000352835002 428271389 /nfs/dbraw/zinc/27/13/89/428271389.db2.gz NGSTVPZGAOAWFE-UHFFFAOYSA-N 1 2 309.398 2.549 20 30 DFEDLO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352835151 428272058 /nfs/dbraw/zinc/27/20/58/428272058.db2.gz JZMYDUBEQSNJOI-UHFFFAOYSA-N 1 2 309.398 2.799 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000360376322 428275058 /nfs/dbraw/zinc/27/50/58/428275058.db2.gz MALFNJOJKZLVKG-PBHICJAKSA-N 1 2 322.412 2.861 20 30 DFEDLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000360383387 428276501 /nfs/dbraw/zinc/27/65/01/428276501.db2.gz WNTCPRQOQUISIX-CYBMUJFWSA-N 1 2 304.353 2.626 20 30 DFEDLO CC(C)C[N@H+](Cc1nnnn1C1CC1)Cc1ccc(C#N)cc1 ZINC000346799348 428322862 /nfs/dbraw/zinc/32/28/62/428322862.db2.gz WGJYKHGKFAOCID-UHFFFAOYSA-N 1 2 310.405 2.538 20 30 DFEDLO CC(C)C[N@@H+](Cc1nnnn1C1CC1)Cc1ccc(C#N)cc1 ZINC000346799348 428322865 /nfs/dbraw/zinc/32/28/65/428322865.db2.gz WGJYKHGKFAOCID-UHFFFAOYSA-N 1 2 310.405 2.538 20 30 DFEDLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)[nH]1 ZINC000370944859 428326199 /nfs/dbraw/zinc/32/61/99/428326199.db2.gz OTYRVOBDYPRSSU-INIZCTEOSA-N 1 2 311.389 2.591 20 30 DFEDLO Cc1nnc([C@@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)[nH]1 ZINC000370944859 428326206 /nfs/dbraw/zinc/32/62/06/428326206.db2.gz OTYRVOBDYPRSSU-INIZCTEOSA-N 1 2 311.389 2.591 20 30 DFEDLO N#Cc1csc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)n1 ZINC000352899212 428304771 /nfs/dbraw/zinc/30/47/71/428304771.db2.gz QQSAXQNOSVVACR-CYBMUJFWSA-N 1 2 307.806 2.881 20 30 DFEDLO N#Cc1cc(Oc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)ccn1 ZINC000360593526 428361073 /nfs/dbraw/zinc/36/10/73/428361073.db2.gz DIEJSVRDUGOCOS-UHFFFAOYSA-N 1 2 319.324 2.581 20 30 DFEDLO C=C(C)COCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000357032895 428371391 /nfs/dbraw/zinc/37/13/91/428371391.db2.gz XUNIMVOBJKBDOI-MRXNPFEDSA-N 1 2 303.381 2.831 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357031022 428372438 /nfs/dbraw/zinc/37/24/38/428372438.db2.gz YQLRTKIDNXDMGC-OAHLLOKOSA-N 1 2 323.396 2.990 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357031022 428372441 /nfs/dbraw/zinc/37/24/41/428372441.db2.gz YQLRTKIDNXDMGC-OAHLLOKOSA-N 1 2 323.396 2.990 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371366756 428384491 /nfs/dbraw/zinc/38/44/91/428384491.db2.gz ZUBGTWKAXRZZQM-AWEZNQCLSA-N 1 2 307.438 2.760 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371366756 428384493 /nfs/dbraw/zinc/38/44/93/428384493.db2.gz ZUBGTWKAXRZZQM-AWEZNQCLSA-N 1 2 307.438 2.760 20 30 DFEDLO COCC1=CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000360795305 428443066 /nfs/dbraw/zinc/44/30/66/428443066.db2.gz HBEDSSKJKNZYTR-UHFFFAOYSA-N 1 2 308.328 2.938 20 30 DFEDLO COCC1=CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000360795305 428443075 /nfs/dbraw/zinc/44/30/75/428443075.db2.gz HBEDSSKJKNZYTR-UHFFFAOYSA-N 1 2 308.328 2.938 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372124580 428417137 /nfs/dbraw/zinc/41/71/37/428417137.db2.gz QCHSXIHSVAWONZ-SFHVURJKSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372124580 428417142 /nfs/dbraw/zinc/41/71/42/428417142.db2.gz QCHSXIHSVAWONZ-SFHVURJKSA-N 1 2 305.418 2.877 20 30 DFEDLO N#Cc1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000342419114 428427080 /nfs/dbraw/zinc/42/70/80/428427080.db2.gz VEGVSFZLMANOEE-UHFFFAOYSA-N 1 2 309.760 3.404 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000342440557 428427588 /nfs/dbraw/zinc/42/75/88/428427588.db2.gz BDLKOQUBVMXOSY-UHFFFAOYSA-N 1 2 315.421 2.725 20 30 DFEDLO Cc1cc(C#N)cc(NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000342476920 428428531 /nfs/dbraw/zinc/42/85/31/428428531.db2.gz DPTIFPYTPKUREZ-UHFFFAOYSA-N 1 2 317.396 3.313 20 30 DFEDLO Cc1oc2ccccc2c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342462719 428429633 /nfs/dbraw/zinc/42/96/33/428429633.db2.gz ZRWDSPGPBJMRRP-SFHVURJKSA-N 1 2 319.364 2.929 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342573426 428433045 /nfs/dbraw/zinc/43/30/45/428433045.db2.gz NUDXDURMGGAYFE-ZDUSSCGKSA-N 1 2 304.438 2.713 20 30 DFEDLO N#C[C@]1(C(=O)Nc2cccc3[nH+]ccn32)CCc2ccccc2C1 ZINC000373185443 428521311 /nfs/dbraw/zinc/52/13/11/428521311.db2.gz IRGXIGFONGUNFW-IBGZPJMESA-N 1 2 316.364 2.972 20 30 DFEDLO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676181 428523971 /nfs/dbraw/zinc/52/39/71/428523971.db2.gz VIBQVKYITZMBQS-RYUDHWBXSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676181 428523979 /nfs/dbraw/zinc/52/39/79/428523979.db2.gz VIBQVKYITZMBQS-RYUDHWBXSA-N 1 2 323.234 2.771 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000343149568 428524048 /nfs/dbraw/zinc/52/40/48/428524048.db2.gz OWNGMCHBGFDKLS-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000343149568 428524056 /nfs/dbraw/zinc/52/40/56/428524056.db2.gz OWNGMCHBGFDKLS-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000342861677 428476583 /nfs/dbraw/zinc/47/65/83/428476583.db2.gz VCWLQBUXXRCZOU-CYBMUJFWSA-N 1 2 304.390 2.663 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000347443838 428580529 /nfs/dbraw/zinc/58/05/29/428580529.db2.gz ZGMCYGDONGGVAF-UHFFFAOYSA-N 1 2 309.369 2.676 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCCOC2)O1 ZINC000373470937 428584924 /nfs/dbraw/zinc/58/49/24/428584924.db2.gz UYBZROJNLHFZRZ-SJLPKXTDSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCCOC2)O1 ZINC000373470937 428584927 /nfs/dbraw/zinc/58/49/27/428584927.db2.gz UYBZROJNLHFZRZ-SJLPKXTDSA-N 1 2 318.392 2.857 20 30 DFEDLO CC#CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000361645823 428586072 /nfs/dbraw/zinc/58/60/72/428586072.db2.gz FNJMKYAFAWCYHH-QZTJIDSGSA-N 1 2 322.412 2.824 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)CCC2 ZINC000357434012 428533843 /nfs/dbraw/zinc/53/38/43/428533843.db2.gz BSIDFJWMFSMFIP-ZDUSSCGKSA-N 1 2 311.345 2.961 20 30 DFEDLO COc1cccc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000399375305 428539492 /nfs/dbraw/zinc/53/94/92/428539492.db2.gz BABIVQVRXVQRIB-UHFFFAOYSA-N 1 2 308.385 2.597 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000361179882 428544155 /nfs/dbraw/zinc/54/41/55/428544155.db2.gz PQBAENUEYLVONZ-MRXNPFEDSA-N 1 2 301.415 2.578 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000361179882 428544158 /nfs/dbraw/zinc/54/41/58/428544158.db2.gz PQBAENUEYLVONZ-MRXNPFEDSA-N 1 2 301.415 2.578 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751763 428560882 /nfs/dbraw/zinc/56/08/82/428560882.db2.gz DUPJNDCULVMVAR-HUUCEWRRSA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751763 428560885 /nfs/dbraw/zinc/56/08/85/428560885.db2.gz DUPJNDCULVMVAR-HUUCEWRRSA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347387004 428568647 /nfs/dbraw/zinc/56/86/47/428568647.db2.gz MCJCWLYQXKXBCV-GUYCJALGSA-N 1 2 321.371 2.895 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347387004 428568652 /nfs/dbraw/zinc/56/86/52/428568652.db2.gz MCJCWLYQXKXBCV-GUYCJALGSA-N 1 2 321.371 2.895 20 30 DFEDLO O=C1OCC[C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]12 ZINC000373445831 428579978 /nfs/dbraw/zinc/57/99/78/428579978.db2.gz ARIVSBFXHVKIGW-ZFWWWQNUSA-N 1 2 323.314 2.694 20 30 DFEDLO O=C1OCC[C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]12 ZINC000373445831 428579982 /nfs/dbraw/zinc/57/99/82/428579982.db2.gz ARIVSBFXHVKIGW-ZFWWWQNUSA-N 1 2 323.314 2.694 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000361996941 428609545 /nfs/dbraw/zinc/60/95/45/428609545.db2.gz QYOSJBFFLRVUQH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000361996941 428609553 /nfs/dbraw/zinc/60/95/53/428609553.db2.gz QYOSJBFFLRVUQH-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC000353601014 428617252 /nfs/dbraw/zinc/61/72/52/428617252.db2.gz JPGZBAZRHSROKH-CYBMUJFWSA-N 1 2 319.368 2.766 20 30 DFEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1C(F)F ZINC000344074791 428622926 /nfs/dbraw/zinc/62/29/26/428622926.db2.gz QYJRUBMFFFCUML-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1C(F)F ZINC000344074791 428622932 /nfs/dbraw/zinc/62/29/32/428622932.db2.gz QYJRUBMFFFCUML-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000344316789 428631330 /nfs/dbraw/zinc/63/13/30/428631330.db2.gz NSCQPEWRPMUXLI-UHFFFAOYSA-N 1 2 319.368 2.682 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985817 428657233 /nfs/dbraw/zinc/65/72/33/428657233.db2.gz ZTKGTEPAYMNCIQ-FRRDWIJNSA-N 1 2 304.228 2.553 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373985817 428657240 /nfs/dbraw/zinc/65/72/40/428657240.db2.gz ZTKGTEPAYMNCIQ-FRRDWIJNSA-N 1 2 304.228 2.553 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000374241133 428670317 /nfs/dbraw/zinc/67/03/17/428670317.db2.gz JWDNFDUQICEQJL-UHFFFAOYSA-N 1 2 315.421 2.629 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374241133 428670321 /nfs/dbraw/zinc/67/03/21/428670321.db2.gz JWDNFDUQICEQJL-UHFFFAOYSA-N 1 2 315.421 2.629 20 30 DFEDLO Cc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000348323794 428707443 /nfs/dbraw/zinc/70/74/43/428707443.db2.gz YLSPCGCHCMQVQX-JTQLQIEISA-N 1 2 300.387 2.613 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C1=O ZINC000348348451 428715119 /nfs/dbraw/zinc/71/51/19/428715119.db2.gz LHNJEBMTAUBQIU-INIZCTEOSA-N 1 2 311.385 2.560 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C1=O ZINC000348348451 428715126 /nfs/dbraw/zinc/71/51/26/428715126.db2.gz LHNJEBMTAUBQIU-INIZCTEOSA-N 1 2 311.385 2.560 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000348382823 428724798 /nfs/dbraw/zinc/72/47/98/428724798.db2.gz LPKXCXAZRVHYJA-MNOVXSKESA-N 1 2 316.361 2.742 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362279889 428684639 /nfs/dbraw/zinc/68/46/39/428684639.db2.gz SEWRAURVOLSYNN-CQSZACIVSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362279889 428684642 /nfs/dbraw/zinc/68/46/42/428684642.db2.gz SEWRAURVOLSYNN-CQSZACIVSA-N 1 2 303.381 2.578 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(C)C(C)C ZINC000411190146 428755837 /nfs/dbraw/zinc/75/58/37/428755837.db2.gz HNVATPPHELUFDC-CQSZACIVSA-N 1 2 319.405 2.838 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(C)C(C)C ZINC000411190146 428755840 /nfs/dbraw/zinc/75/58/40/428755840.db2.gz HNVATPPHELUFDC-CQSZACIVSA-N 1 2 319.405 2.838 20 30 DFEDLO C[C@H]1CCC[C@@H](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000362481031 428762505 /nfs/dbraw/zinc/76/25/05/428762505.db2.gz VSINEWDNSMENSQ-ROUUACIJSA-N 1 2 307.482 2.751 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000362583287 428792773 /nfs/dbraw/zinc/79/27/73/428792773.db2.gz IFRBRRHJBADLDG-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000362583287 428792777 /nfs/dbraw/zinc/79/27/77/428792777.db2.gz IFRBRRHJBADLDG-CYBMUJFWSA-N 1 2 306.837 2.927 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374877577 428773291 /nfs/dbraw/zinc/77/32/91/428773291.db2.gz OLTJVEQECMRDSJ-BBRMVZONSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000348550815 428787331 /nfs/dbraw/zinc/78/73/31/428787331.db2.gz UAFCUCAPMDELCC-MSOLQXFVSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000348550815 428787336 /nfs/dbraw/zinc/78/73/36/428787336.db2.gz UAFCUCAPMDELCC-MSOLQXFVSA-N 1 2 303.402 2.631 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC1CC1 ZINC000348572169 428791362 /nfs/dbraw/zinc/79/13/62/428791362.db2.gz RWWPBYBRQDYLQU-SFHVURJKSA-N 1 2 311.429 2.806 20 30 DFEDLO N#CCC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC1CC1 ZINC000348572169 428791365 /nfs/dbraw/zinc/79/13/65/428791365.db2.gz RWWPBYBRQDYLQU-SFHVURJKSA-N 1 2 311.429 2.806 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)CC1CC1 ZINC000348572166 428791449 /nfs/dbraw/zinc/79/14/49/428791449.db2.gz RWWPBYBRQDYLQU-GOSISDBHSA-N 1 2 311.429 2.806 20 30 DFEDLO N#CCC[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)CC1CC1 ZINC000348572166 428791454 /nfs/dbraw/zinc/79/14/54/428791454.db2.gz RWWPBYBRQDYLQU-GOSISDBHSA-N 1 2 311.429 2.806 20 30 DFEDLO C=CC[NH+](CC=C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000358931230 428736053 /nfs/dbraw/zinc/73/60/53/428736053.db2.gz GUOGZDBVQYDRGC-UHFFFAOYSA-N 1 2 321.384 2.695 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCCC4)CC2)cc1 ZINC000353980449 428802047 /nfs/dbraw/zinc/80/20/47/428802047.db2.gz DURZYIIPZHWXGD-SFHVURJKSA-N 1 2 323.440 2.783 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1CC(F)F ZINC000362931476 428813070 /nfs/dbraw/zinc/81/30/70/428813070.db2.gz CCVQJGKFAWFPBN-UHFFFAOYSA-N 1 2 306.360 2.774 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1CC(F)F ZINC000362931476 428813074 /nfs/dbraw/zinc/81/30/74/428813074.db2.gz CCVQJGKFAWFPBN-UHFFFAOYSA-N 1 2 306.360 2.774 20 30 DFEDLO C=CCOc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000354143863 428884898 /nfs/dbraw/zinc/88/48/98/428884898.db2.gz WXLACAIESRHIGN-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO C=CC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000354203217 428914796 /nfs/dbraw/zinc/91/47/96/428914796.db2.gz KQIIEFXNVSYOSS-UHFFFAOYSA-N 1 2 309.413 2.899 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000412044446 428924547 /nfs/dbraw/zinc/92/45/47/428924547.db2.gz QNVQZYHHOSFKGR-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000412044446 428924550 /nfs/dbraw/zinc/92/45/50/428924550.db2.gz QNVQZYHHOSFKGR-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000412044446 428924552 /nfs/dbraw/zinc/92/45/52/428924552.db2.gz QNVQZYHHOSFKGR-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000412044446 428924557 /nfs/dbraw/zinc/92/45/57/428924557.db2.gz QNVQZYHHOSFKGR-AWEZNQCLSA-N 1 2 300.793 2.608 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1)C1CC1 ZINC000363495702 428930265 /nfs/dbraw/zinc/93/02/65/428930265.db2.gz KVVJQBQNRANQCE-RHSMWYFYSA-N 1 2 301.390 2.615 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1)C1CC1 ZINC000363495702 428930273 /nfs/dbraw/zinc/93/02/73/428930273.db2.gz KVVJQBQNRANQCE-RHSMWYFYSA-N 1 2 301.390 2.615 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349237999 428943880 /nfs/dbraw/zinc/94/38/80/428943880.db2.gz JIHJYJPSXLDNDL-WMZOPIPTSA-N 1 2 320.477 2.857 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349237999 428943885 /nfs/dbraw/zinc/94/38/85/428943885.db2.gz JIHJYJPSXLDNDL-WMZOPIPTSA-N 1 2 320.477 2.857 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354896557 429017408 /nfs/dbraw/zinc/01/74/08/429017408.db2.gz LOQYJRHIHMWAAJ-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354896557 429017415 /nfs/dbraw/zinc/01/74/15/429017415.db2.gz LOQYJRHIHMWAAJ-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421012695 428973684 /nfs/dbraw/zinc/97/36/84/428973684.db2.gz JWNSLOFVFFKTNM-KGLIPLIRSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421012695 428973692 /nfs/dbraw/zinc/97/36/92/428973692.db2.gz JWNSLOFVFFKTNM-KGLIPLIRSA-N 1 2 320.458 2.748 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000349379515 428978020 /nfs/dbraw/zinc/97/80/20/428978020.db2.gz ZSNRFPCTYIVCLU-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000349379515 428978026 /nfs/dbraw/zinc/97/80/26/428978026.db2.gz ZSNRFPCTYIVCLU-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000349379515 428978029 /nfs/dbraw/zinc/97/80/29/428978029.db2.gz ZSNRFPCTYIVCLU-OAHLLOKOSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)c1ccccc1F ZINC000349483638 428992681 /nfs/dbraw/zinc/99/26/81/428992681.db2.gz JLRPMWNJFGINLE-INIZCTEOSA-N 1 2 322.343 2.865 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000354592055 428998680 /nfs/dbraw/zinc/99/86/80/428998680.db2.gz CBXYHBKGQRWMJF-KRWDZBQOSA-N 1 2 302.422 2.842 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000354588801 428999915 /nfs/dbraw/zinc/99/99/15/428999915.db2.gz XBXKSVRLCYUYCE-SNVBAGLBSA-N 1 2 320.343 2.631 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000376117686 429060166 /nfs/dbraw/zinc/06/01/66/429060166.db2.gz SEQVVUOZSIUADN-GFCCVEGCSA-N 1 2 314.776 2.575 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)nn1 ZINC000424175876 429104467 /nfs/dbraw/zinc/10/44/67/429104467.db2.gz VTIMKABHPYDFRH-UHFFFAOYSA-N 1 2 314.286 2.912 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)nn1 ZINC000424291651 429121713 /nfs/dbraw/zinc/12/17/13/429121713.db2.gz DZPHLKOUBHAGOQ-LBPRGKRZSA-N 1 2 303.385 2.520 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)nn1 ZINC000424300438 429122530 /nfs/dbraw/zinc/12/25/30/429122530.db2.gz XOPPGODBTRDQCW-AWEZNQCLSA-N 1 2 322.416 2.715 20 30 DFEDLO C=C(C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000454385202 429164677 /nfs/dbraw/zinc/16/46/77/429164677.db2.gz MZPMMHRBHXJZFC-UHFFFAOYSA-N 1 2 302.353 2.777 20 30 DFEDLO C=C(CC)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000454542142 429166716 /nfs/dbraw/zinc/16/67/16/429166716.db2.gz PXRLYNCTLFGMDS-UHFFFAOYSA-N 1 2 303.406 2.607 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454754762 429172708 /nfs/dbraw/zinc/17/27/08/429172708.db2.gz SHUWGDRGEFQGIC-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454754762 429172713 /nfs/dbraw/zinc/17/27/13/429172713.db2.gz SHUWGDRGEFQGIC-HOTGVXAUSA-N 1 2 323.387 2.975 20 30 DFEDLO C#C[C@@H](C)NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279788262 275385603 /nfs/dbraw/zinc/38/56/03/275385603.db2.gz BLFBOZYNNNFXCZ-CYBMUJFWSA-N 1 2 310.401 2.713 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858745 429218675 /nfs/dbraw/zinc/21/86/75/429218675.db2.gz CLBOYMOEIIUBLL-QMMMGPOBSA-N 1 2 313.199 2.606 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439449802 429219298 /nfs/dbraw/zinc/21/92/98/429219298.db2.gz JQKXEVVRWQUMII-CQSZACIVSA-N 1 2 305.809 2.702 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439449802 429219300 /nfs/dbraw/zinc/21/93/00/429219300.db2.gz JQKXEVVRWQUMII-CQSZACIVSA-N 1 2 305.809 2.702 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000455922463 429224945 /nfs/dbraw/zinc/22/49/45/429224945.db2.gz QVSGCNCZEXWLIJ-MRXNPFEDSA-N 1 2 309.373 2.646 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000425126272 429236314 /nfs/dbraw/zinc/23/63/14/429236314.db2.gz HTIRYLIIIVSTSF-CJNGLKHVSA-N 1 2 308.385 2.537 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000489426936 429240060 /nfs/dbraw/zinc/24/00/60/429240060.db2.gz NJIZPEKKZBOZFW-GFCCVEGCSA-N 1 2 324.222 2.823 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000489426936 429240064 /nfs/dbraw/zinc/24/00/64/429240064.db2.gz NJIZPEKKZBOZFW-GFCCVEGCSA-N 1 2 324.222 2.823 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000489456993 429244524 /nfs/dbraw/zinc/24/45/24/429244524.db2.gz AZLNQQGERQWCDY-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000489456993 429244527 /nfs/dbraw/zinc/24/45/27/429244527.db2.gz AZLNQQGERQWCDY-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000489491858 429246276 /nfs/dbraw/zinc/24/62/76/429246276.db2.gz CWJXWFCHDPSGDX-CYBMUJFWSA-N 1 2 304.390 2.641 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000489491858 429246281 /nfs/dbraw/zinc/24/62/81/429246281.db2.gz CWJXWFCHDPSGDX-CYBMUJFWSA-N 1 2 304.390 2.641 20 30 DFEDLO Cc1cc(N2CCC[C@@H](c3nnc4ccccn43)C2)c(C#N)c[nH+]1 ZINC000425211370 429246438 /nfs/dbraw/zinc/24/64/38/429246438.db2.gz TVJOYVPGRFNDRU-CQSZACIVSA-N 1 2 318.384 2.688 20 30 DFEDLO Cc1cc(NCc2cccnc2OCC(F)(F)F)c(C#N)c[nH+]1 ZINC000425211834 429246965 /nfs/dbraw/zinc/24/69/65/429246965.db2.gz YGXDXXDYEBLSDE-UHFFFAOYSA-N 1 2 322.290 2.632 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000489516762 429249115 /nfs/dbraw/zinc/24/91/15/429249115.db2.gz UBDPVJPSESGMSK-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000489516762 429249117 /nfs/dbraw/zinc/24/91/17/429249117.db2.gz UBDPVJPSESGMSK-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO Cc1cc(N2CCC[C@H](c3nncn3C(C)C)C2)c(C#N)c[nH+]1 ZINC000425235133 429250119 /nfs/dbraw/zinc/25/01/19/429250119.db2.gz OSHCHJNWDRXEPF-AWEZNQCLSA-N 1 2 310.405 2.818 20 30 DFEDLO Cc1cc(N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425256882 429253079 /nfs/dbraw/zinc/25/30/79/429253079.db2.gz CACQJTOPKQNLTR-BXUZGUMPSA-N 1 2 301.390 2.676 20 30 DFEDLO C=CCn1cc(CNc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)nn1 ZINC000425265714 429254054 /nfs/dbraw/zinc/25/40/54/429254054.db2.gz WPKFIWIURGJOOR-UHFFFAOYSA-N 1 2 314.437 3.287 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC000425278008 429256655 /nfs/dbraw/zinc/25/66/55/429256655.db2.gz GDDXFKGRGRRHCA-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC000425278008 429256656 /nfs/dbraw/zinc/25/66/56/429256656.db2.gz GDDXFKGRGRRHCA-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO COCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccnn1C ZINC000489882192 429266319 /nfs/dbraw/zinc/26/63/19/429266319.db2.gz HDCRKZRMRKZPEB-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccnn1C ZINC000489882192 429266324 /nfs/dbraw/zinc/26/63/24/429266324.db2.gz HDCRKZRMRKZPEB-UHFFFAOYSA-N 1 2 317.820 2.574 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000425339278 429268639 /nfs/dbraw/zinc/26/86/39/429268639.db2.gz ROOMFPSQMJGXGQ-ROUUACIJSA-N 1 2 323.444 2.758 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000425339278 429268641 /nfs/dbraw/zinc/26/86/41/429268641.db2.gz ROOMFPSQMJGXGQ-ROUUACIJSA-N 1 2 323.444 2.758 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Cl)ccc1F ZINC000444708562 429274727 /nfs/dbraw/zinc/27/47/27/429274727.db2.gz RIGKVHSQLKHPSP-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Cl)ccc1F ZINC000444708562 429274733 /nfs/dbraw/zinc/27/47/33/429274733.db2.gz RIGKVHSQLKHPSP-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO N#CCCCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445541540 429289539 /nfs/dbraw/zinc/28/95/39/429289539.db2.gz RNZHBWDZHXMRQB-NRFANRHFSA-N 1 2 301.415 2.874 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1OC ZINC000365440712 429318492 /nfs/dbraw/zinc/31/84/92/429318492.db2.gz DKFUINUUJQNNER-JLCFBVMHSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1OC ZINC000365440712 429318494 /nfs/dbraw/zinc/31/84/94/429318494.db2.gz DKFUINUUJQNNER-JLCFBVMHSA-N 1 2 323.458 2.603 20 30 DFEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000448901628 429320553 /nfs/dbraw/zinc/32/05/53/429320553.db2.gz WWYFBCVBYANRLO-LBTNJELSSA-N 1 2 315.392 2.581 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000491072936 429323043 /nfs/dbraw/zinc/32/30/43/429323043.db2.gz WEIKAQWHRIUCAC-UHFFFAOYSA-N 1 2 303.337 2.631 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000491072936 429323048 /nfs/dbraw/zinc/32/30/48/429323048.db2.gz WEIKAQWHRIUCAC-UHFFFAOYSA-N 1 2 303.337 2.631 20 30 DFEDLO C#C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491181802 429331906 /nfs/dbraw/zinc/33/19/06/429331906.db2.gz VYEZLSBZVQEDKE-ZDUSSCGKSA-N 1 2 319.767 2.971 20 30 DFEDLO C#CC[N@@H+](CN1C[C@@H](C(F)F)CC1=O)[C@@H]1CCc2ccccc21 ZINC000491209822 429335065 /nfs/dbraw/zinc/33/50/65/429335065.db2.gz MEZXONWVIMOJEH-GOEBONIOSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CC[N@H+](CN1C[C@@H](C(F)F)CC1=O)[C@@H]1CCc2ccccc21 ZINC000491209822 429335066 /nfs/dbraw/zinc/33/50/66/429335066.db2.gz MEZXONWVIMOJEH-GOEBONIOSA-N 1 2 318.367 2.680 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@@H](C)O1 ZINC000446085462 429296482 /nfs/dbraw/zinc/29/64/82/429296482.db2.gz WMKILYVIMQSSML-GRYCIOLGSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@@H](C)O1 ZINC000446085462 429296486 /nfs/dbraw/zinc/29/64/86/429296486.db2.gz WMKILYVIMQSSML-GRYCIOLGSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821403 429307020 /nfs/dbraw/zinc/30/70/20/429307020.db2.gz LAEUZMWGPGFPOK-IIDMSEBBSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821403 429307023 /nfs/dbraw/zinc/30/70/23/429307023.db2.gz LAEUZMWGPGFPOK-IIDMSEBBSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)c2[nH+]ccn21 ZINC000456440263 429307857 /nfs/dbraw/zinc/30/78/57/429307857.db2.gz YKIDWXVUKCWEOQ-VNQPRFMTSA-N 1 2 308.385 2.778 20 30 DFEDLO C#C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(F)cc1 ZINC000491316986 429346922 /nfs/dbraw/zinc/34/69/22/429346922.db2.gz YTKKOKPKQVPCPD-OAHLLOKOSA-N 1 2 324.346 2.593 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)s1 ZINC000425491827 429308219 /nfs/dbraw/zinc/30/82/19/429308219.db2.gz RDXQYMSQSXZXNB-SECBINFHSA-N 1 2 319.361 2.791 20 30 DFEDLO C#CC[N@@H+](Cn1nc(CO)n(CCC)c1=S)C1CCCCC1 ZINC000490854088 429308338 /nfs/dbraw/zinc/30/83/38/429308338.db2.gz XKZBCOAHXRYZDY-UHFFFAOYSA-N 1 2 322.478 2.542 20 30 DFEDLO C#CC[N@H+](Cn1nc(CO)n(CCC)c1=S)C1CCCCC1 ZINC000490854088 429308341 /nfs/dbraw/zinc/30/83/41/429308341.db2.gz XKZBCOAHXRYZDY-UHFFFAOYSA-N 1 2 322.478 2.542 20 30 DFEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000490917807 429313123 /nfs/dbraw/zinc/31/31/23/429313123.db2.gz ZHPYKGNNCLVEFX-UHFFFAOYSA-N 1 2 308.385 2.675 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000491702895 429394803 /nfs/dbraw/zinc/39/48/03/429394803.db2.gz YGUUCXQLOGTBGB-JTQLQIEISA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000491702895 429394805 /nfs/dbraw/zinc/39/48/05/429394805.db2.gz YGUUCXQLOGTBGB-JTQLQIEISA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000491738242 429399155 /nfs/dbraw/zinc/39/91/55/429399155.db2.gz HWFFVESWGYVVHF-HOTGVXAUSA-N 1 2 324.428 2.857 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000491754471 429404257 /nfs/dbraw/zinc/40/42/57/429404257.db2.gz SYQVDDFYVWYJCS-QMMMGPOBSA-N 1 2 310.151 2.546 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000491754471 429404261 /nfs/dbraw/zinc/40/42/61/429404261.db2.gz SYQVDDFYVWYJCS-QMMMGPOBSA-N 1 2 310.151 2.546 20 30 DFEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491774310 429407453 /nfs/dbraw/zinc/40/74/53/429407453.db2.gz CLFGFWZEKNRPND-HZPDHXFCSA-N 1 2 310.401 2.611 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(F)cc1 ZINC000491348986 429349983 /nfs/dbraw/zinc/34/99/83/429349983.db2.gz FXYACHAWZUPLGL-QGZVFWFLSA-N 1 2 301.365 2.523 20 30 DFEDLO C=C(CC)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000456810989 429351330 /nfs/dbraw/zinc/35/13/30/429351330.db2.gz IDMCXQPXJOSGHF-UHFFFAOYSA-N 1 2 310.401 3.093 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(F)cc1 ZINC000491475171 429364799 /nfs/dbraw/zinc/36/47/99/429364799.db2.gz UJNKVUXVTKIMRS-CQSZACIVSA-N 1 2 318.373 2.792 20 30 DFEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000515161198 429374724 /nfs/dbraw/zinc/37/47/24/429374724.db2.gz FFYAZLNHXYVINL-MRXNPFEDSA-N 1 2 300.333 2.529 20 30 DFEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000515161197 429374917 /nfs/dbraw/zinc/37/49/17/429374917.db2.gz FFYAZLNHXYVINL-INIZCTEOSA-N 1 2 300.333 2.529 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(C)c2C)n1 ZINC000491616736 429378599 /nfs/dbraw/zinc/37/85/99/429378599.db2.gz JFBFISQZVVBNOT-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(C)c2C)n1 ZINC000491616736 429378602 /nfs/dbraw/zinc/37/86/02/429378602.db2.gz JFBFISQZVVBNOT-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(Cl)cc1F ZINC000491621298 429380209 /nfs/dbraw/zinc/38/02/09/429380209.db2.gz GWCKREBRYSCOGC-INIZCTEOSA-N 1 2 321.783 2.786 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1Cl ZINC000365830450 429381730 /nfs/dbraw/zinc/38/17/30/429381730.db2.gz GWRUSGZAETYJQM-LBPRGKRZSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c1Cl ZINC000365830450 429381732 /nfs/dbraw/zinc/38/17/32/429381732.db2.gz GWRUSGZAETYJQM-LBPRGKRZSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCO[C@]3(CCSC3)C2)cn2ccccc12 ZINC000516924786 429384312 /nfs/dbraw/zinc/38/43/12/429384312.db2.gz YDEOLYRPYVNISF-QGZVFWFLSA-N 1 2 313.426 2.519 20 30 DFEDLO N#Cc1c(C[N@H+]2CCO[C@]3(CCSC3)C2)cn2ccccc12 ZINC000516924786 429384315 /nfs/dbraw/zinc/38/43/15/429384315.db2.gz YDEOLYRPYVNISF-QGZVFWFLSA-N 1 2 313.426 2.519 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009712 429385280 /nfs/dbraw/zinc/38/52/80/429385280.db2.gz NNCPEWBXUBXSOT-UHFFFAOYSA-N 1 2 306.454 2.564 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009712 429385285 /nfs/dbraw/zinc/38/52/85/429385285.db2.gz NNCPEWBXUBXSOT-UHFFFAOYSA-N 1 2 306.454 2.564 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(CC#N)cc2)n1 ZINC000457320258 429444969 /nfs/dbraw/zinc/44/49/69/429444969.db2.gz ZLPHLIFJRBZIJZ-UHFFFAOYSA-N 1 2 300.387 2.523 20 30 DFEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000366275701 429445969 /nfs/dbraw/zinc/44/59/69/429445969.db2.gz YUTCKVXNYFSYMN-HZPDHXFCSA-N 1 2 312.373 2.510 20 30 DFEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000366275701 429445972 /nfs/dbraw/zinc/44/59/72/429445972.db2.gz YUTCKVXNYFSYMN-HZPDHXFCSA-N 1 2 312.373 2.510 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000366401255 429449169 /nfs/dbraw/zinc/44/91/69/429449169.db2.gz INKPAXPOWJUSCG-IAGOWNOFSA-N 1 2 308.385 2.641 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366401255 429449173 /nfs/dbraw/zinc/44/91/73/429449173.db2.gz INKPAXPOWJUSCG-IAGOWNOFSA-N 1 2 308.385 2.641 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000519542896 429463873 /nfs/dbraw/zinc/46/38/73/429463873.db2.gz LSQOGCBMLPQSRV-AWEZNQCLSA-N 1 2 324.384 2.767 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC1 ZINC000491804660 429412686 /nfs/dbraw/zinc/41/26/86/429412686.db2.gz MGHHYDSXICKPRO-UHFFFAOYSA-N 1 2 324.346 2.675 20 30 DFEDLO C#CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC1 ZINC000491804660 429412690 /nfs/dbraw/zinc/41/26/90/429412690.db2.gz MGHHYDSXICKPRO-UHFFFAOYSA-N 1 2 324.346 2.675 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000491813633 429413987 /nfs/dbraw/zinc/41/39/87/429413987.db2.gz KVFPDWHCCYZHBS-ZDUSSCGKSA-N 1 2 314.385 2.620 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000491813633 429413992 /nfs/dbraw/zinc/41/39/92/429413992.db2.gz KVFPDWHCCYZHBS-ZDUSSCGKSA-N 1 2 314.385 2.620 20 30 DFEDLO N#C[C@@H]1N(Cc2cccc3[nH+]ccn32)CCC[C@]12CCCCO2 ZINC000366151110 429426580 /nfs/dbraw/zinc/42/65/80/429426580.db2.gz INCCGHLQMAYKDK-FUHWJXTLSA-N 1 2 310.401 2.762 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000519713141 429481024 /nfs/dbraw/zinc/48/10/24/429481024.db2.gz OKOUURXIUKKWOQ-SFHVURJKSA-N 1 2 302.393 2.758 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000519713141 429481028 /nfs/dbraw/zinc/48/10/28/429481028.db2.gz OKOUURXIUKKWOQ-SFHVURJKSA-N 1 2 302.393 2.758 20 30 DFEDLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000519743511 429483635 /nfs/dbraw/zinc/48/36/35/429483635.db2.gz SCFPXJIZEOGADL-SJORKVTESA-N 1 2 309.417 2.878 20 30 DFEDLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000519743511 429483639 /nfs/dbraw/zinc/48/36/39/429483639.db2.gz SCFPXJIZEOGADL-SJORKVTESA-N 1 2 309.417 2.878 20 30 DFEDLO N#Cc1nccc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000521643989 429559761 /nfs/dbraw/zinc/55/97/61/429559761.db2.gz UWBSLCXUWVVEIR-QWHCGFSZSA-N 1 2 318.384 2.785 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@]3(C#N)CCC[C@H](C)C3)[nH+]c12 ZINC000523971591 429617363 /nfs/dbraw/zinc/61/73/63/429617363.db2.gz NPRQRYOSMVWFAC-SCLBCKFNSA-N 1 2 310.401 2.774 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458407464 429635387 /nfs/dbraw/zinc/63/53/87/429635387.db2.gz LBGCBWZQYNSYFT-UHFFFAOYSA-N 1 2 311.389 2.563 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CSC)C1 ZINC000429294833 429597265 /nfs/dbraw/zinc/59/72/65/429597265.db2.gz SHQZFWJOPIVSJC-HOCLYGCPSA-N 1 2 318.442 2.847 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CSC)C1 ZINC000429294833 429597270 /nfs/dbraw/zinc/59/72/70/429597270.db2.gz SHQZFWJOPIVSJC-HOCLYGCPSA-N 1 2 318.442 2.847 20 30 DFEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)CC1(C#N)CCC1 ZINC000450346535 429604119 /nfs/dbraw/zinc/60/41/19/429604119.db2.gz NKJIMHOLFDBHHH-UHFFFAOYSA-N 1 2 320.389 2.599 20 30 DFEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)CC1(C#N)CCC1 ZINC000450346535 429604122 /nfs/dbraw/zinc/60/41/22/429604122.db2.gz NKJIMHOLFDBHHH-UHFFFAOYSA-N 1 2 320.389 2.599 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429406354 429607126 /nfs/dbraw/zinc/60/71/26/429607126.db2.gz OPRQAAQZEITEPM-CQSZACIVSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429406354 429607133 /nfs/dbraw/zinc/60/71/33/429607133.db2.gz OPRQAAQZEITEPM-CQSZACIVSA-N 1 2 303.406 2.751 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)/C=C\c2[nH+]ccn2CC)cc1 ZINC000493010682 429666605 /nfs/dbraw/zinc/66/66/05/429666605.db2.gz YVCFAXJRHFENEM-ZBTGYSDGSA-N 1 2 308.385 2.860 20 30 DFEDLO CSCC[C@H]([NH2+]CC1(C#N)CCC1)c1nnc2ccccn21 ZINC000450722627 429684296 /nfs/dbraw/zinc/68/42/96/429684296.db2.gz DIFKJHXFYNPHCN-ZDUSSCGKSA-N 1 2 315.446 2.807 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)C(C)C)C2 ZINC000525997999 429693102 /nfs/dbraw/zinc/69/31/02/429693102.db2.gz QEYZPQACZUNGCG-ZDUSSCGKSA-N 1 2 302.422 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)C(C)C)CC2 ZINC000525997999 429693108 /nfs/dbraw/zinc/69/31/08/429693108.db2.gz QEYZPQACZUNGCG-ZDUSSCGKSA-N 1 2 302.422 2.789 20 30 DFEDLO CC(C)OC1CC([N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000459380633 429695243 /nfs/dbraw/zinc/69/52/43/429695243.db2.gz BFXVMZGMUDDLKU-DAWZGUTISA-N 1 2 300.402 2.888 20 30 DFEDLO CC(C)OC1CC([N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000459380633 429695247 /nfs/dbraw/zinc/69/52/47/429695247.db2.gz BFXVMZGMUDDLKU-DAWZGUTISA-N 1 2 300.402 2.888 20 30 DFEDLO CCOC1(C)C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459626514 429700831 /nfs/dbraw/zinc/70/08/31/429700831.db2.gz UQNFFUFBDQTVFS-UHFFFAOYSA-N 1 2 310.401 2.570 20 30 DFEDLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]1O ZINC000459703099 429701874 /nfs/dbraw/zinc/70/18/74/429701874.db2.gz OZILPGKANBKMCH-OCCSQVGLSA-N 1 2 304.371 2.576 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccn(C)n1 ZINC000459794527 429702427 /nfs/dbraw/zinc/70/24/27/429702427.db2.gz PQJDHDZAJLKDPZ-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO CC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483135780 429731156 /nfs/dbraw/zinc/73/11/56/429731156.db2.gz PXQLCOPRXQIDCU-AEFFLSMTSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCOC2)O1 ZINC000483135780 429731164 /nfs/dbraw/zinc/73/11/64/429731164.db2.gz PXQLCOPRXQIDCU-AEFFLSMTSA-N 1 2 319.832 2.961 20 30 DFEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483204853 429733432 /nfs/dbraw/zinc/73/34/32/429733432.db2.gz XNTOKJXQAVUBLX-GOSISDBHSA-N 1 2 319.832 2.961 20 30 DFEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000483204853 429733437 /nfs/dbraw/zinc/73/34/37/429733437.db2.gz XNTOKJXQAVUBLX-GOSISDBHSA-N 1 2 319.832 2.961 20 30 DFEDLO CN1CCO[C@@H](C[N@H+](C)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450959033 429738616 /nfs/dbraw/zinc/73/86/16/429738616.db2.gz MEHGIJNRQHHTGK-ROUUACIJSA-N 1 2 313.445 2.684 20 30 DFEDLO CN1CCO[C@@H](C[N@@H+](C)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450959033 429738620 /nfs/dbraw/zinc/73/86/20/429738620.db2.gz MEHGIJNRQHHTGK-ROUUACIJSA-N 1 2 313.445 2.684 20 30 DFEDLO COc1ccncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367893218 429738697 /nfs/dbraw/zinc/73/86/97/429738697.db2.gz WNVKTWATJOAGOD-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000451260395 429796625 /nfs/dbraw/zinc/79/66/25/429796625.db2.gz DAODVUQQANGRPU-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000451260395 429796627 /nfs/dbraw/zinc/79/66/27/429796627.db2.gz DAODVUQQANGRPU-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO Cc1nc(N(C)C)nc(N[C@@H](CCCC#N)c2ccccc2)[nH+]1 ZINC000431497386 429766775 /nfs/dbraw/zinc/76/67/75/429766775.db2.gz VVDBRBKNVAWDLA-HNNXBMFYSA-N 1 2 310.405 3.093 20 30 DFEDLO Cc1nc(N[C@@H](CCCC#N)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000431497386 429766781 /nfs/dbraw/zinc/76/67/81/429766781.db2.gz VVDBRBKNVAWDLA-HNNXBMFYSA-N 1 2 310.405 3.093 20 30 DFEDLO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000527702636 429782403 /nfs/dbraw/zinc/78/24/03/429782403.db2.gz ZKNKVZFJPICTKR-UHFFFAOYSA-N 1 2 315.417 2.787 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](F)C1 ZINC000451193767 429785715 /nfs/dbraw/zinc/78/57/15/429785715.db2.gz VIXDAWCYSIRWQC-TZMCWYRMSA-N 1 2 307.344 2.505 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](F)C1 ZINC000451193767 429785718 /nfs/dbraw/zinc/78/57/18/429785718.db2.gz VIXDAWCYSIRWQC-TZMCWYRMSA-N 1 2 307.344 2.505 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493790358 429829929 /nfs/dbraw/zinc/82/99/29/429829929.db2.gz YFOJXAULRRJQLT-WIVVLVHASA-N 1 2 323.396 2.593 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000368449520 429851499 /nfs/dbraw/zinc/85/14/99/429851499.db2.gz AUHVQAJIPFKPRE-KRWDZBQOSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000368449520 429851502 /nfs/dbraw/zinc/85/15/02/429851502.db2.gz AUHVQAJIPFKPRE-KRWDZBQOSA-N 1 2 312.369 2.994 20 30 DFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000451556364 429853805 /nfs/dbraw/zinc/85/38/05/429853805.db2.gz DBIIIZXBLUWADT-HZMBPMFUSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000451556364 429853809 /nfs/dbraw/zinc/85/38/09/429853809.db2.gz DBIIIZXBLUWADT-HZMBPMFUSA-N 1 2 321.446 2.532 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000494215106 429860098 /nfs/dbraw/zinc/86/00/98/429860098.db2.gz GGYQZENNCNMOKJ-INIZCTEOSA-N 1 2 314.433 2.932 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000528794024 429916888 /nfs/dbraw/zinc/91/68/88/429916888.db2.gz AMEPWHXNLISCEA-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000528794024 429916889 /nfs/dbraw/zinc/91/68/89/429916889.db2.gz AMEPWHXNLISCEA-OAHLLOKOSA-N 1 2 324.346 2.850 20 30 DFEDLO N#C[C@H]1[N@H+](CCCCCn2cccn2)CCC[C@@]12CCCCO2 ZINC000369312564 429923265 /nfs/dbraw/zinc/92/32/65/429923265.db2.gz QIVOLELQBDWLBN-MSOLQXFVSA-N 1 2 316.449 2.981 20 30 DFEDLO N#C[C@H]1[N@@H+](CCCCCn2cccn2)CCC[C@@]12CCCCO2 ZINC000369312564 429923266 /nfs/dbraw/zinc/92/32/66/429923266.db2.gz QIVOLELQBDWLBN-MSOLQXFVSA-N 1 2 316.449 2.981 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1Cl ZINC000368591403 429872782 /nfs/dbraw/zinc/87/27/82/429872782.db2.gz HJRWTXNVGYIOJD-LBPRGKRZSA-N 1 2 308.809 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1Cl ZINC000368591403 429872785 /nfs/dbraw/zinc/87/27/85/429872785.db2.gz HJRWTXNVGYIOJD-LBPRGKRZSA-N 1 2 308.809 2.615 20 30 DFEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cccc1-c1ccccn1 ZINC000573493836 429956156 /nfs/dbraw/zinc/95/61/56/429956156.db2.gz GSHMOTOQILHWKE-LJQANCHMSA-N 1 2 322.412 2.631 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(c3ccc(F)cn3)CC2)nn1 ZINC000639874074 430006295 /nfs/dbraw/zinc/00/62/95/430006295.db2.gz PHMRWKFBTXXJLC-UHFFFAOYSA-N 1 2 315.396 2.768 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639908756 430019923 /nfs/dbraw/zinc/01/99/23/430019923.db2.gz FUAAMPOCTFSLEH-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639908756 430019927 /nfs/dbraw/zinc/01/99/27/430019927.db2.gz FUAAMPOCTFSLEH-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000575918084 430099590 /nfs/dbraw/zinc/09/95/90/430099590.db2.gz BIRFJDJHQAKZIR-ILXRZTDVSA-N 1 2 302.422 2.716 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000575918084 430099595 /nfs/dbraw/zinc/09/95/95/430099595.db2.gz BIRFJDJHQAKZIR-ILXRZTDVSA-N 1 2 302.422 2.716 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000561857490 430100815 /nfs/dbraw/zinc/10/08/15/430100815.db2.gz OEXPVFJJBGUUDP-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000561857490 430100818 /nfs/dbraw/zinc/10/08/18/430100818.db2.gz OEXPVFJJBGUUDP-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO C=CCC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000576600080 430106838 /nfs/dbraw/zinc/10/68/38/430106838.db2.gz MWMMXAHFOSCGNG-AWEZNQCLSA-N 1 2 302.422 2.776 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1ccc(CC#N)cc1 ZINC000577277578 430112079 /nfs/dbraw/zinc/11/20/79/430112079.db2.gz VWZIJZMYXSYDHV-CYBMUJFWSA-N 1 2 311.389 2.529 20 30 DFEDLO C=CCC1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000574967099 430054758 /nfs/dbraw/zinc/05/47/58/430054758.db2.gz BLORJNLMGPGEJN-ZDUSSCGKSA-N 1 2 302.422 2.845 20 30 DFEDLO C=CCC1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000574967099 430054762 /nfs/dbraw/zinc/05/47/62/430054762.db2.gz BLORJNLMGPGEJN-ZDUSSCGKSA-N 1 2 302.422 2.845 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000531841557 430149856 /nfs/dbraw/zinc/14/98/56/430149856.db2.gz UXBXVGPZCYCALR-KBPBESRZSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000531841557 430149857 /nfs/dbraw/zinc/14/98/57/430149857.db2.gz UXBXVGPZCYCALR-KBPBESRZSA-N 1 2 317.408 2.753 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000532124965 430151244 /nfs/dbraw/zinc/15/12/44/430151244.db2.gz TVCDUWNBZBLQLZ-HUUCEWRRSA-N 1 2 305.422 2.874 20 30 DFEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000532124965 430151247 /nfs/dbraw/zinc/15/12/47/430151247.db2.gz TVCDUWNBZBLQLZ-HUUCEWRRSA-N 1 2 305.422 2.874 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000562588916 430152543 /nfs/dbraw/zinc/15/25/43/430152543.db2.gz RLKWOKOEPMVFEV-TYNCELHUSA-N 1 2 309.373 2.821 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+](Cc3ccccc3F)C3CC3)cnc12 ZINC000580834422 430157446 /nfs/dbraw/zinc/15/74/46/430157446.db2.gz CDBSUOATKUHJNB-UHFFFAOYSA-N 1 2 321.359 2.905 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+](Cc3ccccc3F)C3CC3)cnc12 ZINC000580834422 430157448 /nfs/dbraw/zinc/15/74/48/430157448.db2.gz CDBSUOATKUHJNB-UHFFFAOYSA-N 1 2 321.359 2.905 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(O)c1 ZINC000530905380 430126418 /nfs/dbraw/zinc/12/64/18/430126418.db2.gz YMNRIWQJAKPQJM-ZDUSSCGKSA-N 1 2 309.369 2.723 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(O)c1 ZINC000530905380 430126422 /nfs/dbraw/zinc/12/64/22/430126422.db2.gz YMNRIWQJAKPQJM-ZDUSSCGKSA-N 1 2 309.369 2.723 20 30 DFEDLO Cn1ncc(Br)c1C[NH+]1CCC(CCC#N)CC1 ZINC000580565538 430135823 /nfs/dbraw/zinc/13/58/23/430135823.db2.gz VYICXPWEHQYQAA-UHFFFAOYSA-N 1 2 311.227 2.698 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000563382289 430185562 /nfs/dbraw/zinc/18/55/62/430185562.db2.gz DZZIGUHGZMTBQI-YGRLFVJLSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000563382289 430185565 /nfs/dbraw/zinc/18/55/65/430185565.db2.gz DZZIGUHGZMTBQI-YGRLFVJLSA-N 1 2 302.765 2.623 20 30 DFEDLO C=CCn1c(C)cc(C(=O)CSC[C@H]2C[N@H+](C)CCO2)c1C ZINC000564451529 430195581 /nfs/dbraw/zinc/19/55/81/430195581.db2.gz PGKHJTIGTJEZLS-OAHLLOKOSA-N 1 2 322.474 2.537 20 30 DFEDLO C=CCn1c(C)cc(C(=O)CSC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000564451529 430195586 /nfs/dbraw/zinc/19/55/86/430195586.db2.gz PGKHJTIGTJEZLS-OAHLLOKOSA-N 1 2 322.474 2.537 20 30 DFEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CCn2cc[nH+]c2C1 ZINC000565335674 430208341 /nfs/dbraw/zinc/20/83/41/430208341.db2.gz WYPAPFXQKYUNRD-UHFFFAOYSA-N 1 2 312.421 2.729 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 ZINC000565752373 430224939 /nfs/dbraw/zinc/22/49/39/430224939.db2.gz QZBLKTOHGUSZKT-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc1 ZINC000565752373 430224940 /nfs/dbraw/zinc/22/49/40/430224940.db2.gz QZBLKTOHGUSZKT-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc1 ZINC000565752372 430225006 /nfs/dbraw/zinc/22/50/06/430225006.db2.gz QZBLKTOHGUSZKT-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc1 ZINC000565752372 430225009 /nfs/dbraw/zinc/22/50/09/430225009.db2.gz QZBLKTOHGUSZKT-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1C#N ZINC000543509296 430251026 /nfs/dbraw/zinc/25/10/26/430251026.db2.gz JFFIVSJYWXGWHL-NSHDSACASA-N 1 2 315.398 2.961 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)nn1 ZINC000640755270 430252872 /nfs/dbraw/zinc/25/28/72/430252872.db2.gz YZJRIQLWAVZEIC-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635261554 430240911 /nfs/dbraw/zinc/24/09/11/430240911.db2.gz FJYQOZYPUDLNPZ-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635261554 430240916 /nfs/dbraw/zinc/24/09/16/430240916.db2.gz FJYQOZYPUDLNPZ-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO N#CCC[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000567700231 430286927 /nfs/dbraw/zinc/28/69/27/430286927.db2.gz HVIUDVRANPLUKX-GFCCVEGCSA-N 1 2 312.200 2.992 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000567707098 430286946 /nfs/dbraw/zinc/28/69/46/430286946.db2.gz JMLHNETZOQBYIA-WMZOPIPTSA-N 1 2 320.396 2.623 20 30 DFEDLO C=CCCCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635811494 430384177 /nfs/dbraw/zinc/38/41/77/430384177.db2.gz OBQNBFCWOIMNSH-KRWDZBQOSA-N 1 2 302.418 2.742 20 30 DFEDLO C=CCCCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635811494 430384181 /nfs/dbraw/zinc/38/41/81/430384181.db2.gz OBQNBFCWOIMNSH-KRWDZBQOSA-N 1 2 302.418 2.742 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635868340 430399389 /nfs/dbraw/zinc/39/93/89/430399389.db2.gz XTJUBIYIKNGJAG-NWDGAFQWSA-N 1 2 301.312 2.944 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635868342 430399691 /nfs/dbraw/zinc/39/96/91/430399691.db2.gz XTJUBIYIKNGJAG-VXGBXAGGSA-N 1 2 301.312 2.944 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000568980483 430410192 /nfs/dbraw/zinc/41/01/92/430410192.db2.gz YTHFKFQEPHLQAX-HNNXBMFYSA-N 1 2 308.834 2.920 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000568980483 430410198 /nfs/dbraw/zinc/41/01/98/430410198.db2.gz YTHFKFQEPHLQAX-HNNXBMFYSA-N 1 2 308.834 2.920 20 30 DFEDLO Cc1cc2occ(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2cc1C ZINC000583938505 430443997 /nfs/dbraw/zinc/44/39/97/430443997.db2.gz ZILQRQDLWHQMEG-GOSISDBHSA-N 1 2 313.401 2.552 20 30 DFEDLO C=CCC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCOCC1 ZINC000636181993 430481328 /nfs/dbraw/zinc/48/13/28/430481328.db2.gz JHHRGSVRFQCVRI-HNNXBMFYSA-N 1 2 305.422 2.712 20 30 DFEDLO CC[C@H](C)c1ccccc1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570141916 430517100 /nfs/dbraw/zinc/51/71/00/430517100.db2.gz ONYMAWXBRXTJEO-KBXCAEBGSA-N 1 2 317.433 2.539 20 30 DFEDLO N#CCc1ccc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)cc1 ZINC000601182666 430539073 /nfs/dbraw/zinc/53/90/73/430539073.db2.gz XMZQKPGBJWMWRC-UHFFFAOYSA-N 1 2 303.369 3.513 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c3c(cccc31)CC2 ZINC000571516414 430632769 /nfs/dbraw/zinc/63/27/69/430632769.db2.gz NREODONNLDIYOR-INIZCTEOSA-N 1 2 309.413 2.557 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c3c(cccc31)CC2 ZINC000571516414 430632770 /nfs/dbraw/zinc/63/27/70/430632770.db2.gz NREODONNLDIYOR-INIZCTEOSA-N 1 2 309.413 2.557 20 30 DFEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)[nH]1 ZINC000556626903 430687619 /nfs/dbraw/zinc/68/76/19/430687619.db2.gz RBVIGEARTRNKRQ-NWDGAFQWSA-N 1 2 323.404 2.688 20 30 DFEDLO C[C@H](CC(=O)N[C@](C)(C#N)CCc1ccccc1)n1cc[nH+]c1 ZINC000572769363 430696864 /nfs/dbraw/zinc/69/68/64/430696864.db2.gz YFPNDRBQQBTMKE-QAPCUYQASA-N 1 2 310.401 2.865 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)nn1 ZINC000657745211 430723784 /nfs/dbraw/zinc/72/37/84/430723784.db2.gz HGPLXOFMLQDIQR-MSOLQXFVSA-N 1 2 314.433 2.702 20 30 DFEDLO C=CCC1(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CCCC1 ZINC000658728952 430907780 /nfs/dbraw/zinc/90/77/80/430907780.db2.gz ICOHZPBOIUWRDL-UHFFFAOYSA-N 1 2 315.417 2.950 20 30 DFEDLO C=CCC1(NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000658728444 430908358 /nfs/dbraw/zinc/90/83/58/430908358.db2.gz QWUZLPMLKRMMGV-UHFFFAOYSA-N 1 2 301.390 2.642 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665389630 430918878 /nfs/dbraw/zinc/91/88/78/430918878.db2.gz MHFMUWYHEHJPPZ-LSDHHAIUSA-N 1 2 302.422 2.852 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292407125 335089188 /nfs/dbraw/zinc/08/91/88/335089188.db2.gz YRWXDRHJKSCXSX-KRWDZBQOSA-N 1 2 316.445 2.606 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292407125 335089190 /nfs/dbraw/zinc/08/91/90/335089190.db2.gz YRWXDRHJKSCXSX-KRWDZBQOSA-N 1 2 316.445 2.606 20 30 DFEDLO C=CCCC1(CNC(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000665589749 430977842 /nfs/dbraw/zinc/97/78/42/430977842.db2.gz GGIOIQLGPUQNAP-UHFFFAOYSA-N 1 2 302.422 2.935 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645365032 430981943 /nfs/dbraw/zinc/98/19/43/430981943.db2.gz IZSNBWAUJBQONC-CQSZACIVSA-N 1 2 300.406 2.839 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665621179 430985320 /nfs/dbraw/zinc/98/53/20/430985320.db2.gz SZABEMZAOPOACI-UHFFFAOYSA-N 1 2 300.406 2.565 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000655967284 431232675 /nfs/dbraw/zinc/23/26/75/431232675.db2.gz LTPYQNBUKXAGMG-AWEZNQCLSA-N 1 2 304.438 2.689 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653269361 431342397 /nfs/dbraw/zinc/34/23/97/431342397.db2.gz KJXFLLRGLGJOOA-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(OCC)cc2)nn1 ZINC000653487275 431398708 /nfs/dbraw/zinc/39/87/08/431398708.db2.gz OUOQAQBEFYSFMW-UHFFFAOYSA-N 1 2 300.406 2.885 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(OCC)cc2)nn1 ZINC000653487275 431398715 /nfs/dbraw/zinc/39/87/15/431398715.db2.gz OUOQAQBEFYSFMW-UHFFFAOYSA-N 1 2 300.406 2.885 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)nn1 ZINC000653601898 431453092 /nfs/dbraw/zinc/45/30/92/431453092.db2.gz COMGMLFYHGREHE-LBPRGKRZSA-N 1 2 304.369 2.853 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)nn1 ZINC000653607310 431456814 /nfs/dbraw/zinc/45/68/14/431456814.db2.gz ZHHAPSSQIKIABQ-MRXNPFEDSA-N 1 2 322.359 2.610 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000660496554 431460289 /nfs/dbraw/zinc/46/02/89/431460289.db2.gz PDQRLCRROSVDPB-MRXNPFEDSA-N 1 2 313.445 3.000 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)nn1 ZINC000653547268 431429713 /nfs/dbraw/zinc/42/97/13/431429713.db2.gz FTBSFCXMLISMMY-GOSISDBHSA-N 1 2 312.417 2.818 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)nn1 ZINC000653547268 431429719 /nfs/dbraw/zinc/42/97/19/431429719.db2.gz FTBSFCXMLISMMY-GOSISDBHSA-N 1 2 312.417 2.818 20 30 DFEDLO C=CCC1(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000663685495 431500465 /nfs/dbraw/zinc/50/04/65/431500465.db2.gz HNCPHGTYKMEKIS-UHFFFAOYSA-N 1 2 316.449 2.950 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660704001 431559015 /nfs/dbraw/zinc/55/90/15/431559015.db2.gz QZMJTZQLYSQMTL-TWMKSMIVSA-N 1 2 323.481 2.530 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000660938981 431669958 /nfs/dbraw/zinc/66/99/58/431669958.db2.gz SPTXFPFUVWEZQC-GJZGRUSLSA-N 1 2 302.422 2.758 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2COc3c2cccc3Cl)nn1 ZINC000657394154 431724429 /nfs/dbraw/zinc/72/44/29/431724429.db2.gz KKMOBDNMBVKHHU-CQSZACIVSA-N 1 2 304.781 2.731 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150092 431753894 /nfs/dbraw/zinc/75/38/94/431753894.db2.gz HYUWVMXEIAECPQ-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150092 431753900 /nfs/dbraw/zinc/75/39/00/431753900.db2.gz HYUWVMXEIAECPQ-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661325984 431822934 /nfs/dbraw/zinc/82/29/34/431822934.db2.gz NSTJPVWLKBTSKA-HOCLYGCPSA-N 1 2 312.417 2.968 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(NCCO)c2ccccc2[nH+]1 ZINC000664577825 431823764 /nfs/dbraw/zinc/82/37/64/431823764.db2.gz SIKQOWONDSAGBL-OKILXGFUSA-N 1 2 310.401 2.721 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCN1CC(F)F ZINC000153620642 289052701 /nfs/dbraw/zinc/05/27/01/289052701.db2.gz FHQAVXFXCDBWCL-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCN1CC(F)F ZINC000153620642 289052702 /nfs/dbraw/zinc/05/27/02/289052702.db2.gz FHQAVXFXCDBWCL-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292501485 335091043 /nfs/dbraw/zinc/09/10/43/335091043.db2.gz NMTIPVOCJWUBLL-UHFFFAOYSA-N 1 2 300.406 2.778 20 30 DFEDLO COC(=O)C1([NH2+]CCOc2ccc(C#N)cc2)CCCCCC1 ZINC000154856963 295308309 /nfs/dbraw/zinc/30/83/09/295308309.db2.gz MKYXJTBQVROJAX-UHFFFAOYSA-N 1 2 316.401 2.793 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000560707577 301911747 /nfs/dbraw/zinc/91/17/47/301911747.db2.gz YIYBVZHFLIQQLS-ZDUSSCGKSA-N 1 2 321.384 2.530 20 30 DFEDLO C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000561496750 301937913 /nfs/dbraw/zinc/93/79/13/301937913.db2.gz VJFASRSRKAVSPJ-WBMJQRKESA-N 1 2 323.400 2.803 20 30 DFEDLO C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)n1cc[nH+]c1 ZINC000563212778 302050356 /nfs/dbraw/zinc/05/03/56/302050356.db2.gz ZPOCOHMGTFANDD-AWEZNQCLSA-N 1 2 308.385 2.897 20 30 DFEDLO Cc1cccnc1[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000121031671 302246822 /nfs/dbraw/zinc/24/68/22/302246822.db2.gz VQLKWVYFXOVTOW-SJLPKXTDSA-N 1 2 322.412 2.775 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567051590 302332197 /nfs/dbraw/zinc/33/21/97/302332197.db2.gz USFYMEXFJXRCNI-XJKSGUPXSA-N 1 2 308.385 2.537 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000568994132 302489850 /nfs/dbraw/zinc/48/98/50/302489850.db2.gz YQSHLLGGWJHPEW-IAQYHMDHSA-N 1 2 324.359 2.748 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ncc3c(c2C#N)CCC3)CC1(C)C ZINC000572030328 302640636 /nfs/dbraw/zinc/64/06/36/302640636.db2.gz PCLZDBZSKBCTQO-OAHLLOKOSA-N 1 2 307.401 2.763 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155257213 332763379 /nfs/dbraw/zinc/76/33/79/332763379.db2.gz ARNQGEVQILOMIA-INIZCTEOSA-N 1 2 312.442 2.834 20 30 DFEDLO N#Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000541756754 317814442 /nfs/dbraw/zinc/81/44/42/317814442.db2.gz WXZKKHGBPGYVQK-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO N#Cc1cc(C(=O)NCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000544636020 317837150 /nfs/dbraw/zinc/83/71/50/317837150.db2.gz GHELPAZUGYBVKC-UHFFFAOYSA-N 1 2 314.776 2.674 20 30 DFEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)c1C ZINC000578396772 318257953 /nfs/dbraw/zinc/25/79/53/318257953.db2.gz SAEFANQNRWNGPH-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cn2)c1C ZINC000578396772 318257956 /nfs/dbraw/zinc/25/79/56/318257956.db2.gz SAEFANQNRWNGPH-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cn1ccnc1[C@H]1N(Cc2c[nH+]c3ccc(C#N)cn23)CC1(C)C ZINC000579078232 318305333 /nfs/dbraw/zinc/30/53/33/318305333.db2.gz LMUVAHYNUOGIAU-MRXNPFEDSA-N 1 2 320.400 2.523 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCC2)O1 ZINC000579116687 318308805 /nfs/dbraw/zinc/30/88/05/318308805.db2.gz BUZUALKKVBOBOI-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCC2)O1 ZINC000579116687 318308807 /nfs/dbraw/zinc/30/88/07/318308807.db2.gz BUZUALKKVBOBOI-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000579200379 318313733 /nfs/dbraw/zinc/31/37/33/318313733.db2.gz RKYJNOCRIVNNTO-CQSZACIVSA-N 1 2 309.373 2.762 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC[C@@H]3C3CCC3)o2)c1 ZINC000579834356 318357108 /nfs/dbraw/zinc/35/71/08/318357108.db2.gz XFTHISAFENRGFV-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOC[C@@H]3C3CCC3)o2)c1 ZINC000579834356 318357110 /nfs/dbraw/zinc/35/71/10/318357110.db2.gz XFTHISAFENRGFV-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000569344941 331918771 /nfs/dbraw/zinc/91/87/71/331918771.db2.gz BBDWLLRQIAMHCG-HNNXBMFYSA-N 1 2 305.765 2.660 20 30 DFEDLO C[C@H](c1ccco1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000086233911 332019273 /nfs/dbraw/zinc/01/92/73/332019273.db2.gz OZNICVLZTGZSJH-PXAZEXFGSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000086233911 332019274 /nfs/dbraw/zinc/01/92/74/332019274.db2.gz OZNICVLZTGZSJH-PXAZEXFGSA-N 1 2 301.390 2.613 20 30 DFEDLO CC1C([NH2+]Nc2ccnc(F)c2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000497142022 332147057 /nfs/dbraw/zinc/14/70/57/332147057.db2.gz BLVSIIOGGVQGAZ-VIFPVBQESA-N 1 2 322.340 2.545 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)nn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000417747590 335095107 /nfs/dbraw/zinc/09/51/07/335095107.db2.gz HJULGJBCBNJKGX-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)nn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000417747590 335095109 /nfs/dbraw/zinc/09/51/09/335095109.db2.gz HJULGJBCBNJKGX-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000103467662 332239301 /nfs/dbraw/zinc/23/93/01/332239301.db2.gz DHISOAZAVDAPNM-OAHLLOKOSA-N 1 2 317.458 2.679 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000555762080 332265217 /nfs/dbraw/zinc/26/52/17/332265217.db2.gz WWHDEBMWFJMVQA-UHFFFAOYSA-N 1 2 316.735 2.835 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000555762080 332265218 /nfs/dbraw/zinc/26/52/18/332265218.db2.gz WWHDEBMWFJMVQA-UHFFFAOYSA-N 1 2 316.735 2.835 20 30 DFEDLO Cc1csc2nc(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)n12 ZINC000109812611 332283972 /nfs/dbraw/zinc/28/39/72/332283972.db2.gz NTNUKJWBLUMZQK-UHFFFAOYSA-N 1 2 318.446 2.826 20 30 DFEDLO Cc1csc2nc(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)n12 ZINC000109812611 332283974 /nfs/dbraw/zinc/28/39/74/332283974.db2.gz NTNUKJWBLUMZQK-UHFFFAOYSA-N 1 2 318.446 2.826 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(F)cc1 ZINC000110032122 332287211 /nfs/dbraw/zinc/28/72/11/332287211.db2.gz GVVXWJAUINDWJN-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(F)cc1 ZINC000110032122 332287213 /nfs/dbraw/zinc/28/72/13/332287213.db2.gz GVVXWJAUINDWJN-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000112968509 332318110 /nfs/dbraw/zinc/31/81/10/332318110.db2.gz HBFBDVYEBINWEV-UHFFFAOYSA-N 1 2 308.769 2.759 20 30 DFEDLO CCCn1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000566309995 332331749 /nfs/dbraw/zinc/33/17/49/332331749.db2.gz ZIUGQVMYIVDTPW-GOSISDBHSA-N 1 2 312.417 2.625 20 30 DFEDLO C=CCCCS(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000293551615 335108966 /nfs/dbraw/zinc/10/89/66/335108966.db2.gz VKALRRQXXSNMBZ-CQSZACIVSA-N 1 2 319.430 2.819 20 30 DFEDLO C=CCCCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000427778187 332513890 /nfs/dbraw/zinc/51/38/90/332513890.db2.gz IEJJRMWJRYQSKT-UHFFFAOYSA-N 1 2 309.366 2.719 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000293682106 335112539 /nfs/dbraw/zinc/11/25/39/335112539.db2.gz APLLHELUPSBONS-GFCCVEGCSA-N 1 2 310.419 2.578 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000293682106 335112541 /nfs/dbraw/zinc/11/25/41/335112541.db2.gz APLLHELUPSBONS-GFCCVEGCSA-N 1 2 310.419 2.578 20 30 DFEDLO O=C(Cn1cc[nH+]c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000562272890 332566330 /nfs/dbraw/zinc/56/63/30/332566330.db2.gz MIVCCQKAOMPGKX-UHFFFAOYSA-N 1 2 301.349 2.922 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151304753 332570953 /nfs/dbraw/zinc/57/09/53/332570953.db2.gz QFKPUHPRYAMOPB-CYBMUJFWSA-N 1 2 301.415 2.722 20 30 DFEDLO C=C[C@H](CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000570166408 332720362 /nfs/dbraw/zinc/72/03/62/332720362.db2.gz OTTVCZFIONZZFZ-HIFRSBDPSA-N 1 2 308.372 2.707 20 30 DFEDLO CC#CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000361526026 332961534 /nfs/dbraw/zinc/96/15/34/332961534.db2.gz OWHBSKWJLIEYCD-GOSISDBHSA-N 1 2 324.428 2.954 20 30 DFEDLO C=CCC(F)(F)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000294131625 335117888 /nfs/dbraw/zinc/11/78/88/335117888.db2.gz QBMBXWKTHABXPE-LLVKDONJSA-N 1 2 314.401 2.822 20 30 DFEDLO C=CCC(F)(F)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000294131625 335117890 /nfs/dbraw/zinc/11/78/90/335117890.db2.gz QBMBXWKTHABXPE-LLVKDONJSA-N 1 2 314.401 2.822 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCCC#N)c1C ZINC000171449209 333048609 /nfs/dbraw/zinc/04/86/09/333048609.db2.gz AERXPNMXFPGYNH-UHFFFAOYSA-N 1 2 304.394 2.542 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(Cl)c(C)c2)n1 ZINC000491396264 333075053 /nfs/dbraw/zinc/07/50/53/333075053.db2.gz XJONBBAPFNFQAY-UHFFFAOYSA-N 1 2 302.809 2.895 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(Cl)c(C)c2)n1 ZINC000491396264 333075054 /nfs/dbraw/zinc/07/50/54/333075054.db2.gz XJONBBAPFNFQAY-UHFFFAOYSA-N 1 2 302.809 2.895 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000491396010 333075482 /nfs/dbraw/zinc/07/54/82/333075482.db2.gz WFQSZZRMBZVKIE-GFCCVEGCSA-N 1 2 301.415 2.603 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000491396010 333075483 /nfs/dbraw/zinc/07/54/83/333075483.db2.gz WFQSZZRMBZVKIE-GFCCVEGCSA-N 1 2 301.415 2.603 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000185265054 335124259 /nfs/dbraw/zinc/12/42/59/335124259.db2.gz BPJTXRSLYGWQKP-INIZCTEOSA-N 1 2 315.461 2.975 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179237159 333148336 /nfs/dbraw/zinc/14/83/36/333148336.db2.gz ZASMGSBJUCALAM-JKSUJKDBSA-N 1 2 303.381 2.599 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000179237159 333148338 /nfs/dbraw/zinc/14/83/38/333148338.db2.gz ZASMGSBJUCALAM-JKSUJKDBSA-N 1 2 303.381 2.599 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000294789897 335127582 /nfs/dbraw/zinc/12/75/82/335127582.db2.gz BEKJIQNXXRFOQR-GFCCVEGCSA-N 1 2 313.401 2.848 20 30 DFEDLO CCCCCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185421685 333208653 /nfs/dbraw/zinc/20/86/53/333208653.db2.gz GZYYDUVYDKIRLE-UHFFFAOYSA-N 1 2 304.438 2.794 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc(OC)c1O ZINC000364504013 333324536 /nfs/dbraw/zinc/32/45/36/333324536.db2.gz BGHSMEMRPUSAHE-QGZVFWFLSA-N 1 2 303.402 2.740 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc(OC)c1O ZINC000364504013 333324538 /nfs/dbraw/zinc/32/45/38/333324538.db2.gz BGHSMEMRPUSAHE-QGZVFWFLSA-N 1 2 303.402 2.740 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364896176 333332741 /nfs/dbraw/zinc/33/27/41/333332741.db2.gz ORLAIKRZEKHNOU-CVEARBPZSA-N 1 2 308.385 2.607 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000185454192 335135283 /nfs/dbraw/zinc/13/52/83/335135283.db2.gz NTBMSXDZKBEBII-MRXNPFEDSA-N 1 2 316.445 2.942 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000296054010 335140738 /nfs/dbraw/zinc/14/07/38/335140738.db2.gz ZJBIXQMZALOBQH-MRXNPFEDSA-N 1 2 323.396 2.655 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338256113 333476944 /nfs/dbraw/zinc/47/69/44/333476944.db2.gz JHQODSJPTJCLPE-XJKSGUPXSA-N 1 2 322.836 2.794 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000571001793 333477252 /nfs/dbraw/zinc/47/72/52/333477252.db2.gz NRBUGMXFHOYOBD-UHFFFAOYSA-N 1 2 309.163 2.571 20 30 DFEDLO C#C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000296631628 335145085 /nfs/dbraw/zinc/14/50/85/335145085.db2.gz NMXUHMVCMVJWCI-OLZOCXBDSA-N 1 2 302.422 2.561 20 30 DFEDLO C#CCO[C@H](C)c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000296660763 335145531 /nfs/dbraw/zinc/14/55/31/335145531.db2.gz FDXGBRVHRDHGKW-GFCCVEGCSA-N 1 2 310.357 2.741 20 30 DFEDLO CC#CCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000185752733 335150636 /nfs/dbraw/zinc/15/06/36/335150636.db2.gz KFJKNPGOLKYISO-UHFFFAOYSA-N 1 2 300.402 2.651 20 30 DFEDLO CC(C)C[C@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339967816 333697313 /nfs/dbraw/zinc/69/73/13/333697313.db2.gz ZOPKMSWEOOHRGK-GOSISDBHSA-N 1 2 310.401 2.990 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186378037 335157601 /nfs/dbraw/zinc/15/76/01/335157601.db2.gz WEVBKZOFQIHDEI-MRVPVSSYSA-N 1 2 303.189 2.652 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000264000551 333949758 /nfs/dbraw/zinc/94/97/58/333949758.db2.gz NTCNMLBOHWOGLE-UHFFFAOYSA-N 1 2 309.772 2.541 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2csnn2)cc1OC ZINC000414549562 334015592 /nfs/dbraw/zinc/01/55/92/334015592.db2.gz LLOMOPBPHLJXPX-LLVKDONJSA-N 1 2 305.403 2.962 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000272004690 334029523 /nfs/dbraw/zinc/02/95/23/334029523.db2.gz IQDGLIPOQNJIAH-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000272004690 334029524 /nfs/dbraw/zinc/02/95/24/334029524.db2.gz IQDGLIPOQNJIAH-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO COc1ccc(-c2noc(C[NH+]3CCC(C)(C#N)CC3)n2)cc1 ZINC000272612997 334038084 /nfs/dbraw/zinc/03/80/84/334038084.db2.gz SOMGWNHYDJZEOK-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272631914 334038340 /nfs/dbraw/zinc/03/83/40/334038340.db2.gz WKAFEMWTBMRUDD-LLVKDONJSA-N 1 2 307.344 2.917 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1F ZINC000278535503 334097699 /nfs/dbraw/zinc/09/76/99/334097699.db2.gz MBLPRUHHANTPIT-HNNXBMFYSA-N 1 2 314.364 2.705 20 30 DFEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000278661107 334099440 /nfs/dbraw/zinc/09/94/40/334099440.db2.gz QLRIGZZBXAJWHF-CJNGLKHVSA-N 1 2 317.820 2.790 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCCCC2CCOCC2)cc1OC ZINC000279749676 334111590 /nfs/dbraw/zinc/11/15/90/334111590.db2.gz LGYJWGTVDSSBFR-UHFFFAOYSA-N 1 2 322.405 2.548 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1SC ZINC000280428503 334117430 /nfs/dbraw/zinc/11/74/30/334117430.db2.gz MHMKRMYBHWRLSX-AWEZNQCLSA-N 1 2 319.474 2.848 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000280428503 334117431 /nfs/dbraw/zinc/11/74/31/334117431.db2.gz MHMKRMYBHWRLSX-AWEZNQCLSA-N 1 2 319.474 2.848 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282397839 334134143 /nfs/dbraw/zinc/13/41/43/334134143.db2.gz RWVJVRLBDXUIPR-CQSZACIVSA-N 1 2 314.433 2.865 20 30 DFEDLO Cn1nc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)nc1N ZINC000283832565 334141570 /nfs/dbraw/zinc/14/15/70/334141570.db2.gz CEWKGYVYPIPOBE-OAHLLOKOSA-N 1 2 324.432 2.536 20 30 DFEDLO Cn1nc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)nc1N ZINC000283832565 334141572 /nfs/dbraw/zinc/14/15/72/334141572.db2.gz CEWKGYVYPIPOBE-OAHLLOKOSA-N 1 2 324.432 2.536 20 30 DFEDLO NC(=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1)[C@H]1CCCO1 ZINC000284617259 334144109 /nfs/dbraw/zinc/14/41/09/334144109.db2.gz ZKLJRKCHNIMMCS-GFCCVEGCSA-N 1 2 321.764 2.963 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285193361 334146230 /nfs/dbraw/zinc/14/62/30/334146230.db2.gz SCHTXPRDQNFDAH-QGZVFWFLSA-N 1 2 300.406 2.628 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000289526689 334166320 /nfs/dbraw/zinc/16/63/20/334166320.db2.gz HLEFYXDPMFVIOC-INIZCTEOSA-N 1 2 323.387 2.892 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000289526689 334166321 /nfs/dbraw/zinc/16/63/21/334166321.db2.gz HLEFYXDPMFVIOC-INIZCTEOSA-N 1 2 323.387 2.892 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Br)cc1 ZINC000292102541 334184597 /nfs/dbraw/zinc/18/45/97/334184597.db2.gz GMLPGCMDZVBVJC-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Br)cc1 ZINC000292102541 334184599 /nfs/dbraw/zinc/18/45/99/334184599.db2.gz GMLPGCMDZVBVJC-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO CCCCOC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292247464 334185901 /nfs/dbraw/zinc/18/59/01/334185901.db2.gz XJXHLULVVAEZOF-SJORKVTESA-N 1 2 300.402 2.959 20 30 DFEDLO CCCCOC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292247464 334185903 /nfs/dbraw/zinc/18/59/03/334185903.db2.gz XJXHLULVVAEZOF-SJORKVTESA-N 1 2 300.402 2.959 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1OCC ZINC000292292627 334186439 /nfs/dbraw/zinc/18/64/39/334186439.db2.gz UJIHBCLBFIVULN-UHFFFAOYSA-N 1 2 301.390 2.816 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1OCC ZINC000292292627 334186441 /nfs/dbraw/zinc/18/64/41/334186441.db2.gz UJIHBCLBFIVULN-UHFFFAOYSA-N 1 2 301.390 2.816 20 30 DFEDLO CCCCCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298184144 334246988 /nfs/dbraw/zinc/24/69/88/334246988.db2.gz HOUZQPBXZNEWSD-UHFFFAOYSA-N 1 2 319.449 2.895 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298705632 334250871 /nfs/dbraw/zinc/25/08/71/334250871.db2.gz GDUAXGZPRYQXEO-PIGZYNQJSA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298705632 334250873 /nfs/dbraw/zinc/25/08/73/334250873.db2.gz GDUAXGZPRYQXEO-PIGZYNQJSA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000299272800 334254430 /nfs/dbraw/zinc/25/44/30/334254430.db2.gz OEYSCEQHHPEBTD-GFCCVEGCSA-N 1 2 321.450 2.752 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000121478117 334354317 /nfs/dbraw/zinc/35/43/17/334354317.db2.gz PXXYVYMYWKFTNX-UHFFFAOYSA-N 1 2 319.149 2.784 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000121478117 334354318 /nfs/dbraw/zinc/35/43/18/334354318.db2.gz PXXYVYMYWKFTNX-UHFFFAOYSA-N 1 2 319.149 2.784 20 30 DFEDLO C=CC[C@H](CC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443221365 338447928 /nfs/dbraw/zinc/44/79/28/338447928.db2.gz CFKQEEDSKATGKF-HNNXBMFYSA-N 1 2 319.430 2.564 20 30 DFEDLO C=CCOc1cccnc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000341932723 334496087 /nfs/dbraw/zinc/49/60/87/334496087.db2.gz JIALIDZNGJAPGS-UHFFFAOYSA-N 1 2 308.341 2.855 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000341987687 334503468 /nfs/dbraw/zinc/50/34/68/334503468.db2.gz HJKXABMDLMGEHG-UHFFFAOYSA-N 1 2 318.402 2.550 20 30 DFEDLO COCC1(C#N)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000341990615 334503743 /nfs/dbraw/zinc/50/37/43/334503743.db2.gz NMZZHOXLHKEQSR-UHFFFAOYSA-N 1 2 302.805 2.944 20 30 DFEDLO CS[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328613796 334744720 /nfs/dbraw/zinc/74/47/20/334744720.db2.gz QPZHDQNMZLRARR-MELADBBJSA-N 1 2 322.478 2.938 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1scnc1C)CCC2 ZINC000328722363 334748370 /nfs/dbraw/zinc/74/83/70/334748370.db2.gz RWKKKBGTPKBGNT-GFCCVEGCSA-N 1 2 319.434 2.538 20 30 DFEDLO CCC(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000328746998 334751325 /nfs/dbraw/zinc/75/13/25/334751325.db2.gz ASZQKARWMBTCBY-ZDUSSCGKSA-N 1 2 314.389 2.879 20 30 DFEDLO CCc1ccc(CNC(=O)C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000330784570 334815146 /nfs/dbraw/zinc/81/51/46/334815146.db2.gz SCOOJJKNIWBXEX-UHFFFAOYSA-N 1 2 305.447 2.552 20 30 DFEDLO CC(C)c1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000331240375 334849916 /nfs/dbraw/zinc/84/99/16/334849916.db2.gz PSACIBINSXQVOF-CYBMUJFWSA-N 1 2 306.406 2.541 20 30 DFEDLO CC1=CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331251152 334851265 /nfs/dbraw/zinc/85/12/65/334851265.db2.gz XCCVHBAALRDEKK-UHFFFAOYSA-N 1 2 302.300 2.511 20 30 DFEDLO CCO[C@@H]1C[C@]([NH2+]CCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000189874591 334914985 /nfs/dbraw/zinc/91/49/85/334914985.db2.gz XVNHRKCKLZMWQB-DYVFJYSZSA-N 1 2 310.438 2.653 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C(=O)NC[C@H]32)cc1Cl ZINC000343622206 335182135 /nfs/dbraw/zinc/18/21/35/335182135.db2.gz NPWLGXPVWKYNMG-DZGCQCFKSA-N 1 2 320.820 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C(=O)NC[C@H]32)cc1Cl ZINC000343622206 335182137 /nfs/dbraw/zinc/18/21/37/335182137.db2.gz NPWLGXPVWKYNMG-DZGCQCFKSA-N 1 2 320.820 2.615 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000343633021 335183376 /nfs/dbraw/zinc/18/33/76/335183376.db2.gz SPNLVSCKMLPYNG-UHFFFAOYSA-N 1 2 312.373 2.934 20 30 DFEDLO Cc1cc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)nc(C)n1 ZINC000343794255 335193397 /nfs/dbraw/zinc/19/33/97/335193397.db2.gz BTDYEZGHCPSMQM-INIZCTEOSA-N 1 2 317.352 2.769 20 30 DFEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190886885 335239233 /nfs/dbraw/zinc/23/92/33/335239233.db2.gz PUDQNEXWTYLTNW-UHFFFAOYSA-N 1 2 321.852 2.916 20 30 DFEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190886885 335239234 /nfs/dbraw/zinc/23/92/34/335239234.db2.gz PUDQNEXWTYLTNW-UHFFFAOYSA-N 1 2 321.852 2.916 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000344406021 335246459 /nfs/dbraw/zinc/24/64/59/335246459.db2.gz XULWSVYNKVIYPR-UHFFFAOYSA-N 1 2 319.832 2.821 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000344406021 335246460 /nfs/dbraw/zinc/24/64/60/335246460.db2.gz XULWSVYNKVIYPR-UHFFFAOYSA-N 1 2 319.832 2.821 20 30 DFEDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345147710 335301460 /nfs/dbraw/zinc/30/14/60/335301460.db2.gz WIJWESFUWBDSRB-YOEHRIQHSA-N 1 2 323.396 2.910 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000366927522 335373294 /nfs/dbraw/zinc/37/32/94/335373294.db2.gz YKKVRMWWMHWBCQ-MRXNPFEDSA-N 1 2 322.836 2.796 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000366927521 335373378 /nfs/dbraw/zinc/37/33/78/335373378.db2.gz YKKVRMWWMHWBCQ-INIZCTEOSA-N 1 2 322.836 2.796 20 30 DFEDLO Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000348515891 335592812 /nfs/dbraw/zinc/59/28/12/335592812.db2.gz ZRDWNLCHHBXMTF-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000448719763 338494153 /nfs/dbraw/zinc/49/41/53/338494153.db2.gz LPBJTKWFILPOMD-RDTXWAMCSA-N 1 2 312.417 2.628 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000349787643 335700269 /nfs/dbraw/zinc/70/02/69/335700269.db2.gz KHXBFYCARGUZIX-UHFFFAOYSA-N 1 2 314.351 2.931 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000350451964 335754560 /nfs/dbraw/zinc/75/45/60/335754560.db2.gz DKHVYKAKMLKHKP-ZUZCIYMTSA-N 1 2 319.771 2.842 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1c(C)cc(C)cc1C ZINC000518995995 335769368 /nfs/dbraw/zinc/76/93/68/335769368.db2.gz QGILAKGMZXMGRK-MRXNPFEDSA-N 1 2 301.434 2.552 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329376919 335969551 /nfs/dbraw/zinc/96/95/51/335969551.db2.gz LZCNHPXXBVGISO-CQSZACIVSA-N 1 2 320.437 2.648 20 30 DFEDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329572304 335996100 /nfs/dbraw/zinc/99/61/00/335996100.db2.gz UYCNVZYQKMRJEG-GJZGRUSLSA-N 1 2 320.437 2.597 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCc2c1cccc2F ZINC000329605061 336003994 /nfs/dbraw/zinc/00/39/94/336003994.db2.gz LYWYQDCDJPABHN-QMTHXVAHSA-N 1 2 314.364 2.597 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCc2c1cccc2F ZINC000329605061 336003997 /nfs/dbraw/zinc/00/39/97/336003997.db2.gz LYWYQDCDJPABHN-QMTHXVAHSA-N 1 2 314.364 2.597 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CCC2 ZINC000329652489 336028585 /nfs/dbraw/zinc/02/85/85/336028585.db2.gz DJXOXETWWCJSBH-DRZSPHRISA-N 1 2 304.394 2.780 20 30 DFEDLO O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCCCS1 ZINC000329655056 336028807 /nfs/dbraw/zinc/02/88/07/336028807.db2.gz MCIGXKSBURONKX-AWEZNQCLSA-N 1 2 318.446 2.666 20 30 DFEDLO CC1(c2ccccc2)CC(NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329672126 336036951 /nfs/dbraw/zinc/03/69/51/336036951.db2.gz SIVFQLPWHBIECH-UHFFFAOYSA-N 1 2 310.401 2.733 20 30 DFEDLO CC1(c2ccccc2)CC([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1 ZINC000329672126 336036953 /nfs/dbraw/zinc/03/69/53/336036953.db2.gz SIVFQLPWHBIECH-UHFFFAOYSA-N 1 2 310.401 2.733 20 30 DFEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000329680019 336037774 /nfs/dbraw/zinc/03/77/74/336037774.db2.gz XQYDWMIPQGOAAC-ZIAGYGMSSA-N 1 2 320.437 2.708 20 30 DFEDLO CC#CCCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000351490256 336038087 /nfs/dbraw/zinc/03/80/87/336038087.db2.gz FRUJGSGEVHTAKN-GJZGRUSLSA-N 1 2 322.449 2.970 20 30 DFEDLO CC#CCCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000351490256 336038088 /nfs/dbraw/zinc/03/80/88/336038088.db2.gz FRUJGSGEVHTAKN-GJZGRUSLSA-N 1 2 322.449 2.970 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329720498 336070231 /nfs/dbraw/zinc/07/02/31/336070231.db2.gz BQVDVTJQAFUIKN-AWEZNQCLSA-N 1 2 308.451 2.720 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329720498 336070233 /nfs/dbraw/zinc/07/02/33/336070233.db2.gz BQVDVTJQAFUIKN-AWEZNQCLSA-N 1 2 308.451 2.720 20 30 DFEDLO CN(C)c1ccc(CNC(=O)C2(C3CC3)CCOCC2)c[nH+]1 ZINC000329725310 336070896 /nfs/dbraw/zinc/07/08/96/336070896.db2.gz GESZVSRKEBKXPO-UHFFFAOYSA-N 1 2 303.406 2.811 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC12CCCCC2 ZINC000329730415 336074969 /nfs/dbraw/zinc/07/49/69/336074969.db2.gz HWRKWTQXPUVRML-CYBMUJFWSA-N 1 2 302.422 2.980 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 ZINC000329770024 336079755 /nfs/dbraw/zinc/07/97/55/336079755.db2.gz FRWFWFRVUMNBDN-YPMHNXCESA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 ZINC000329770024 336079757 /nfs/dbraw/zinc/07/97/57/336079757.db2.gz FRWFWFRVUMNBDN-YPMHNXCESA-N 1 2 309.435 2.929 20 30 DFEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1CCC(=O)CC1 ZINC000329822259 336086425 /nfs/dbraw/zinc/08/64/25/336086425.db2.gz HCANHYDDUUUVIH-UHFFFAOYSA-N 1 2 301.390 2.898 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C1CCC1 ZINC000329872381 336091273 /nfs/dbraw/zinc/09/12/73/336091273.db2.gz BIVXLJHNWFTARP-DZGCQCFKSA-N 1 2 302.422 2.624 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C(F)F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000329919042 336095228 /nfs/dbraw/zinc/09/52/28/336095228.db2.gz DBIWSVQGSADXTO-NEPJUHHUSA-N 1 2 312.364 2.725 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC2(C(F)F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000329919042 336095230 /nfs/dbraw/zinc/09/52/30/336095230.db2.gz DBIWSVQGSADXTO-NEPJUHHUSA-N 1 2 312.364 2.725 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330114177 336114671 /nfs/dbraw/zinc/11/46/71/336114671.db2.gz DORUWZOCKYRVBY-HIFRSBDPSA-N 1 2 305.422 2.669 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330114177 336114673 /nfs/dbraw/zinc/11/46/73/336114673.db2.gz DORUWZOCKYRVBY-HIFRSBDPSA-N 1 2 305.422 2.669 20 30 DFEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330137521 336117015 /nfs/dbraw/zinc/11/70/15/336117015.db2.gz UYAMTIUSCNQKAN-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330137521 336117017 /nfs/dbraw/zinc/11/70/17/336117017.db2.gz UYAMTIUSCNQKAN-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000330155344 336118831 /nfs/dbraw/zinc/11/88/31/336118831.db2.gz YEVCZGGHCTWJFB-RDJZCZTQSA-N 1 2 316.401 2.578 20 30 DFEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000330155344 336118832 /nfs/dbraw/zinc/11/88/32/336118832.db2.gz YEVCZGGHCTWJFB-RDJZCZTQSA-N 1 2 316.401 2.578 20 30 DFEDLO [O-]C(=[NH+]C[C@H]1CCCCC(F)(F)C1)N1CCn2cc[nH+]c2C1 ZINC000330192352 336122857 /nfs/dbraw/zinc/12/28/57/336122857.db2.gz NSFUJVNZILODGU-LBPRGKRZSA-N 1 2 312.364 2.828 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C12CC3CC(CC(C3)C1)C2 ZINC000330226495 336126742 /nfs/dbraw/zinc/12/67/42/336126742.db2.gz BONZNHMQFPVBQR-GNFNDJEDSA-N 1 2 314.433 2.670 20 30 DFEDLO [O-]C(NC12CC3CC(CC(C3)C1)C2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330226495 336126744 /nfs/dbraw/zinc/12/67/44/336126744.db2.gz BONZNHMQFPVBQR-GNFNDJEDSA-N 1 2 314.433 2.670 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330245526 336129180 /nfs/dbraw/zinc/12/91/80/336129180.db2.gz XTNFDRZEVYTLDL-RRCSTGOVSA-N 1 2 319.405 2.578 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248535 336129576 /nfs/dbraw/zinc/12/95/76/336129576.db2.gz GDNLDLZBPAWOLO-NCOADZHNSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248535 336129577 /nfs/dbraw/zinc/12/95/77/336129577.db2.gz GDNLDLZBPAWOLO-NCOADZHNSA-N 1 2 324.465 2.792 20 30 DFEDLO CCC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCOCC1 ZINC000330250044 336129581 /nfs/dbraw/zinc/12/95/81/336129581.db2.gz GQPAEHIFMJLRNZ-UHFFFAOYSA-N 1 2 320.437 2.710 20 30 DFEDLO CCC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCOCC1 ZINC000330250044 336129582 /nfs/dbraw/zinc/12/95/82/336129582.db2.gz GQPAEHIFMJLRNZ-UHFFFAOYSA-N 1 2 320.437 2.710 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000330263704 336131100 /nfs/dbraw/zinc/13/11/00/336131100.db2.gz WWYIRKRHILBHHP-OLZOCXBDSA-N 1 2 306.410 2.962 20 30 DFEDLO CC(C)(C)C1=CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330279294 336132887 /nfs/dbraw/zinc/13/28/87/336132887.db2.gz QVHQZRGFUZSAQZ-CQSZACIVSA-N 1 2 302.422 2.790 20 30 DFEDLO CC(C)(C)C1=CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330279294 336132888 /nfs/dbraw/zinc/13/28/88/336132888.db2.gz QVHQZRGFUZSAQZ-CQSZACIVSA-N 1 2 302.422 2.790 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000331380432 336134411 /nfs/dbraw/zinc/13/44/11/336134411.db2.gz AQWSOPFGONORMH-CQSZACIVSA-N 1 2 324.446 2.605 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000331380432 336134412 /nfs/dbraw/zinc/13/44/12/336134412.db2.gz AQWSOPFGONORMH-CQSZACIVSA-N 1 2 324.446 2.605 20 30 DFEDLO N#CCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000331687146 336144488 /nfs/dbraw/zinc/14/44/88/336144488.db2.gz RRYOWMSJTZHARW-AWEZNQCLSA-N 1 2 304.394 2.794 20 30 DFEDLO N#CCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000331687146 336144489 /nfs/dbraw/zinc/14/44/89/336144489.db2.gz RRYOWMSJTZHARW-AWEZNQCLSA-N 1 2 304.394 2.794 20 30 DFEDLO COCCC1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330319194 336154136 /nfs/dbraw/zinc/15/41/36/336154136.db2.gz DADAQDPHVCOUKP-UKRRQHHQSA-N 1 2 321.421 2.804 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CC2(O)CCCCC2)CCO1 ZINC000330321040 336157849 /nfs/dbraw/zinc/15/78/49/336157849.db2.gz FQWYXRIRJADYTP-ZFWWWQNUSA-N 1 2 321.421 2.682 20 30 DFEDLO CCc1noc(C)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330340335 336172301 /nfs/dbraw/zinc/17/23/01/336172301.db2.gz XUSFKXOCTUECJD-BXUZGUMPSA-N 1 2 318.377 2.504 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352462696 336220629 /nfs/dbraw/zinc/22/06/29/336220629.db2.gz GFJWUUYXEAVGSD-QWHCGFSZSA-N 1 2 321.371 2.719 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482026 336221303 /nfs/dbraw/zinc/22/13/03/336221303.db2.gz GKVMDIVCXJCDTL-HNNXBMFYSA-N 1 2 317.408 2.670 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483225 336221394 /nfs/dbraw/zinc/22/13/94/336221394.db2.gz HTRGQQTVPVAJOO-KBXIAJHMSA-N 1 2 309.429 2.643 20 30 DFEDLO COc1ccc(-c2nnc(C[NH+]3CCC(F)(C#N)CC3)o2)cc1 ZINC000352485047 336221460 /nfs/dbraw/zinc/22/14/60/336221460.db2.gz WWALNMFWCCXZDG-UHFFFAOYSA-N 1 2 316.336 2.573 20 30 DFEDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489464 336221676 /nfs/dbraw/zinc/22/16/76/336221676.db2.gz AIDVWRUPTXAFEM-CQSZACIVSA-N 1 2 317.408 2.754 20 30 DFEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301791521 336330165 /nfs/dbraw/zinc/33/01/65/336330165.db2.gz QWQPTGVDHXGWHQ-UHFFFAOYSA-N 1 2 318.380 2.626 20 30 DFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302173967 336352446 /nfs/dbraw/zinc/35/24/46/336352446.db2.gz WBSKZLVUCSJBES-UHFFFAOYSA-N 1 2 318.833 2.614 20 30 DFEDLO CCSCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000571672392 336371932 /nfs/dbraw/zinc/37/19/32/336371932.db2.gz WXVRXKRFISJSQV-INIZCTEOSA-N 1 2 307.463 2.558 20 30 DFEDLO CCSCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000571672392 336371933 /nfs/dbraw/zinc/37/19/33/336371933.db2.gz WXVRXKRFISJSQV-INIZCTEOSA-N 1 2 307.463 2.558 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000353292115 336387387 /nfs/dbraw/zinc/38/73/87/336387387.db2.gz YZOPFKFWYIFQFM-QWHCGFSZSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000353292115 336387388 /nfs/dbraw/zinc/38/73/88/336387388.db2.gz YZOPFKFWYIFQFM-QWHCGFSZSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000353292116 336387432 /nfs/dbraw/zinc/38/74/32/336387432.db2.gz YZOPFKFWYIFQFM-STQMWFEESA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000353292116 336387433 /nfs/dbraw/zinc/38/74/33/336387433.db2.gz YZOPFKFWYIFQFM-STQMWFEESA-N 1 2 307.825 2.999 20 30 DFEDLO C=CC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112701511 336399653 /nfs/dbraw/zinc/39/96/53/336399653.db2.gz ZQSAKUDIEAKIPV-LBPRGKRZSA-N 1 2 304.419 2.663 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H](C)c2nc(C)no2)cc(OC)c1O ZINC000354802551 336482978 /nfs/dbraw/zinc/48/29/78/336482978.db2.gz ILDHXJFMSSOGRD-SNVBAGLBSA-N 1 2 303.362 2.672 20 30 DFEDLO CC1(C)CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)[C@@H]1C#N ZINC000357161468 336575412 /nfs/dbraw/zinc/57/54/12/336575412.db2.gz WZBADHABSLBUSC-CYBMUJFWSA-N 1 2 313.392 2.504 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000368283720 336841711 /nfs/dbraw/zinc/84/17/11/336841711.db2.gz KJADCROUQDLUHX-AWEZNQCLSA-N 1 2 306.410 2.505 20 30 DFEDLO N#CC[C@H](CC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369857910 336873209 /nfs/dbraw/zinc/87/32/09/336873209.db2.gz UKSOBUHZHPASII-DOTOQJQBSA-N 1 2 322.412 2.649 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000371393625 336902386 /nfs/dbraw/zinc/90/23/86/336902386.db2.gz RDRQMVQDRZIVOA-UHFFFAOYSA-N 1 2 308.385 2.787 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121401816 336953158 /nfs/dbraw/zinc/95/31/58/336953158.db2.gz PSXDKOJQKZNMQQ-HNNXBMFYSA-N 1 2 321.490 2.683 20 30 DFEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000374395522 336988745 /nfs/dbraw/zinc/98/87/45/336988745.db2.gz UUHOEKGWYBZCRS-CQSZACIVSA-N 1 2 311.385 2.755 20 30 DFEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000374395521 336988756 /nfs/dbraw/zinc/98/87/56/336988756.db2.gz UUHOEKGWYBZCRS-AWEZNQCLSA-N 1 2 311.385 2.755 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000374713236 336995706 /nfs/dbraw/zinc/99/57/06/336995706.db2.gz FAOYEZDKNPONFS-GJZGRUSLSA-N 1 2 320.437 2.594 20 30 DFEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1 ZINC000375848433 337021296 /nfs/dbraw/zinc/02/12/96/337021296.db2.gz DECRFPGHCAFWJF-UHFFFAOYSA-N 1 2 304.353 2.767 20 30 DFEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1 ZINC000375848433 337021297 /nfs/dbraw/zinc/02/12/97/337021297.db2.gz DECRFPGHCAFWJF-UHFFFAOYSA-N 1 2 304.353 2.767 20 30 DFEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000375940473 337023749 /nfs/dbraw/zinc/02/37/49/337023749.db2.gz GOSMHTWZFQUVRI-UHFFFAOYSA-N 1 2 319.474 2.543 20 30 DFEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000375940473 337023750 /nfs/dbraw/zinc/02/37/50/337023750.db2.gz GOSMHTWZFQUVRI-UHFFFAOYSA-N 1 2 319.474 2.543 20 30 DFEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000376202824 337029437 /nfs/dbraw/zinc/02/94/37/337029437.db2.gz FZUWQJVSTXYRDY-INIZCTEOSA-N 1 2 323.396 2.511 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000123269468 337041779 /nfs/dbraw/zinc/04/17/79/337041779.db2.gz YPZICWCEGFFHMA-OAHLLOKOSA-N 1 2 323.845 2.672 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000123269468 337041780 /nfs/dbraw/zinc/04/17/80/337041780.db2.gz YPZICWCEGFFHMA-OAHLLOKOSA-N 1 2 323.845 2.672 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC(C)(C)CCC#N)CCC2 ZINC000376982000 337044685 /nfs/dbraw/zinc/04/46/85/337044685.db2.gz XYOFJIKZRPTCTR-AWEZNQCLSA-N 1 2 317.437 2.698 20 30 DFEDLO C#Cc1ccc(C[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000377612467 337056044 /nfs/dbraw/zinc/05/60/44/337056044.db2.gz AFQQQGYRVNTABK-SFHVURJKSA-N 1 2 302.381 2.974 20 30 DFEDLO CC(C)[N@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000582466865 337093566 /nfs/dbraw/zinc/09/35/66/337093566.db2.gz GDWLSHPJVOTCIF-CQSZACIVSA-N 1 2 308.447 2.818 20 30 DFEDLO CC(C)[N@@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000582466865 337093567 /nfs/dbraw/zinc/09/35/67/337093567.db2.gz GDWLSHPJVOTCIF-CQSZACIVSA-N 1 2 308.447 2.818 20 30 DFEDLO CCCc1sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1CC ZINC000582669606 337118747 /nfs/dbraw/zinc/11/87/47/337118747.db2.gz AEJSVKHKJUKVCO-MRXNPFEDSA-N 1 2 307.463 2.837 20 30 DFEDLO C=CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000175206999 337146181 /nfs/dbraw/zinc/14/61/81/337146181.db2.gz IUGXNVPTUZGUTD-KRWDZBQOSA-N 1 2 313.401 2.991 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000178760610 337164864 /nfs/dbraw/zinc/16/48/64/337164864.db2.gz HUFSFIXWAGXASP-CYBMUJFWSA-N 1 2 308.385 2.885 20 30 DFEDLO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184024873 337194624 /nfs/dbraw/zinc/19/46/24/337194624.db2.gz YVUAWYHYOWMRRI-OAHLLOKOSA-N 1 2 320.437 2.590 20 30 DFEDLO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184024873 337194625 /nfs/dbraw/zinc/19/46/25/337194625.db2.gz YVUAWYHYOWMRRI-OAHLLOKOSA-N 1 2 320.437 2.590 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000185349295 337204405 /nfs/dbraw/zinc/20/44/05/337204405.db2.gz UXDVMLBWDWSLHB-LSDHHAIUSA-N 1 2 317.433 2.525 20 30 DFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186100673 337254473 /nfs/dbraw/zinc/25/44/73/337254473.db2.gz BXXOBRLNPJZEDE-HIFRSBDPSA-N 1 2 309.772 2.644 20 30 DFEDLO CC[N@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186100673 337254474 /nfs/dbraw/zinc/25/44/74/337254474.db2.gz BXXOBRLNPJZEDE-HIFRSBDPSA-N 1 2 309.772 2.644 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186211707 337254634 /nfs/dbraw/zinc/25/46/34/337254634.db2.gz JXCKCDJIQVMFPS-SFHVURJKSA-N 1 2 311.429 2.588 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186211707 337254635 /nfs/dbraw/zinc/25/46/35/337254635.db2.gz JXCKCDJIQVMFPS-SFHVURJKSA-N 1 2 311.429 2.588 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)cc1OC ZINC000189991737 337283741 /nfs/dbraw/zinc/28/37/41/337283741.db2.gz KPQRQYFQEMZOMF-SFHVURJKSA-N 1 2 319.401 2.788 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)cc1OC ZINC000189991737 337283742 /nfs/dbraw/zinc/28/37/42/337283742.db2.gz KPQRQYFQEMZOMF-SFHVURJKSA-N 1 2 319.401 2.788 20 30 DFEDLO O=C(c1cccs1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000192022410 337301967 /nfs/dbraw/zinc/30/19/67/337301967.db2.gz NBRPGKFJPAMJMV-UHFFFAOYSA-N 1 2 324.449 2.948 20 30 DFEDLO O=C(c1cccs1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000192022410 337301968 /nfs/dbraw/zinc/30/19/68/337301968.db2.gz NBRPGKFJPAMJMV-UHFFFAOYSA-N 1 2 324.449 2.948 20 30 DFEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000192186028 337303832 /nfs/dbraw/zinc/30/38/32/337303832.db2.gz NKFJZDLWESZAOJ-MRXNPFEDSA-N 1 2 302.381 2.970 20 30 DFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000120071480 337395407 /nfs/dbraw/zinc/39/54/07/337395407.db2.gz GLUQDVTZKMIBJB-OAHLLOKOSA-N 1 2 314.433 2.675 20 30 DFEDLO C=C[C@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000128504509 337425445 /nfs/dbraw/zinc/42/54/45/337425445.db2.gz AEZZMQPGVACDFC-HNNXBMFYSA-N 1 2 312.417 2.890 20 30 DFEDLO N#C[C@@]1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC12CCCC2 ZINC000571987006 337585268 /nfs/dbraw/zinc/58/52/68/337585268.db2.gz ICPBWPZSICCZGM-LJQANCHMSA-N 1 2 320.396 2.963 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCC(C(=O)[O-])CC1)C(C)C ZINC000263472747 337629969 /nfs/dbraw/zinc/62/99/69/337629969.db2.gz LTEDAWLOKBLHHH-JCYILVPMSA-N 1 2 308.466 2.918 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)nn1 ZINC000424293237 337816383 /nfs/dbraw/zinc/81/63/83/337816383.db2.gz IGCWNFGPMLGXHG-LLVKDONJSA-N 1 2 308.332 2.916 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)nn1 ZINC000424298860 337817340 /nfs/dbraw/zinc/81/73/40/337817340.db2.gz UEGOXSXCVUYXPV-HNNXBMFYSA-N 1 2 302.353 2.607 20 30 DFEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(O[C@@H]2CCOC2)c1 ZINC000515007431 337976158 /nfs/dbraw/zinc/97/61/58/337976158.db2.gz KWAVJJXKQDCBOM-DOTOQJQBSA-N 1 2 313.401 2.696 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000515069651 337978056 /nfs/dbraw/zinc/97/80/56/337978056.db2.gz KBOICXWGGQJGLU-HNNXBMFYSA-N 1 2 317.437 2.684 20 30 DFEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc2n1 ZINC000516476787 338013353 /nfs/dbraw/zinc/01/33/53/338013353.db2.gz XICMTFLLHHIOBN-LJQANCHMSA-N 1 2 324.428 2.932 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433298421 338190064 /nfs/dbraw/zinc/19/00/64/338190064.db2.gz OQMRIULSZHTPAD-GFCCVEGCSA-N 1 2 307.825 2.826 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433298421 338190065 /nfs/dbraw/zinc/19/00/65/338190065.db2.gz OQMRIULSZHTPAD-GFCCVEGCSA-N 1 2 307.825 2.826 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301457 338190482 /nfs/dbraw/zinc/19/04/82/338190482.db2.gz VQPUIBRKWXJDJX-LBPRGKRZSA-N 1 2 323.387 2.966 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301457 338190483 /nfs/dbraw/zinc/19/04/83/338190483.db2.gz VQPUIBRKWXJDJX-LBPRGKRZSA-N 1 2 323.387 2.966 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433311954 338191295 /nfs/dbraw/zinc/19/12/95/338191295.db2.gz JOTLEGPOESTIMZ-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433311954 338191296 /nfs/dbraw/zinc/19/12/96/338191296.db2.gz JOTLEGPOESTIMZ-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433312522 338191635 /nfs/dbraw/zinc/19/16/35/338191635.db2.gz QZLAPWBOZFONHU-UHFFFAOYSA-N 1 2 319.474 2.848 20 30 DFEDLO CSc1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433312522 338191636 /nfs/dbraw/zinc/19/16/36/338191636.db2.gz QZLAPWBOZFONHU-UHFFFAOYSA-N 1 2 319.474 2.848 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433315678 338191747 /nfs/dbraw/zinc/19/17/47/338191747.db2.gz YVPFRBZACCKQIS-SWKXRBFHSA-N 1 2 318.465 2.787 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433315678 338191748 /nfs/dbraw/zinc/19/17/48/338191748.db2.gz YVPFRBZACCKQIS-SWKXRBFHSA-N 1 2 318.465 2.787 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000435181576 338234008 /nfs/dbraw/zinc/23/40/08/338234008.db2.gz GJTXGVKGHCTOKU-JSGCOSHPSA-N 1 2 301.415 2.725 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000435181576 338234009 /nfs/dbraw/zinc/23/40/09/338234009.db2.gz GJTXGVKGHCTOKU-JSGCOSHPSA-N 1 2 301.415 2.725 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000448584416 338300829 /nfs/dbraw/zinc/30/08/29/338300829.db2.gz YHFURHQABRVOKM-GUYCJALGSA-N 1 2 317.820 2.534 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000437644306 338317101 /nfs/dbraw/zinc/31/71/01/338317101.db2.gz FFYCRIGMKBYJIZ-QGZVFWFLSA-N 1 2 322.474 2.621 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000437644305 338317113 /nfs/dbraw/zinc/31/71/13/338317113.db2.gz FFYCRIGMKBYJIZ-KRWDZBQOSA-N 1 2 322.474 2.621 20 30 DFEDLO C=CCC[C@H](NCc1c(C)[nH+]c2ccccn21)C(=O)OCC ZINC000449660213 338644734 /nfs/dbraw/zinc/64/47/34/338644734.db2.gz XLIPDSAUNWBGFA-AWEZNQCLSA-N 1 2 301.390 2.630 20 30 DFEDLO C=C(CC)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449733796 338648748 /nfs/dbraw/zinc/64/87/48/338648748.db2.gz KFHPIEBSMPJBKU-HNNXBMFYSA-N 1 2 300.362 2.974 20 30 DFEDLO N#CC1(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CCC1 ZINC000450890113 338710818 /nfs/dbraw/zinc/71/08/18/338710818.db2.gz FTQKOJUINZGNJL-GFCCVEGCSA-N 1 2 314.307 2.902 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2[nH+]ccn21 ZINC000456424350 338929480 /nfs/dbraw/zinc/92/94/80/338929480.db2.gz PNZGFMRFZSZKGG-WFASDCNBSA-N 1 2 306.369 2.874 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000459371846 339025293 /nfs/dbraw/zinc/02/52/93/339025293.db2.gz KIRQJNKCJSBHQT-UHFFFAOYSA-N 1 2 314.389 2.739 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000459483488 339032080 /nfs/dbraw/zinc/03/20/80/339032080.db2.gz BVSKQXQDEWCCGE-ZBFHGGJFSA-N 1 2 300.793 2.776 20 30 DFEDLO N#C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000459483488 339032081 /nfs/dbraw/zinc/03/20/81/339032081.db2.gz BVSKQXQDEWCCGE-ZBFHGGJFSA-N 1 2 300.793 2.776 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459536761 339034578 /nfs/dbraw/zinc/03/45/78/339034578.db2.gz BOMYKQXSERLWAA-UHFFFAOYSA-N 1 2 313.170 2.982 20 30 DFEDLO CCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459612968 339038485 /nfs/dbraw/zinc/03/84/85/339038485.db2.gz VAAGSKBFKZZYHY-UHFFFAOYSA-N 1 2 310.401 2.684 20 30 DFEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1F ZINC000491209056 339853345 /nfs/dbraw/zinc/85/33/45/339853345.db2.gz BJTPJTAZSYJPQD-CYBMUJFWSA-N 1 2 315.739 2.942 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000491303807 339857275 /nfs/dbraw/zinc/85/72/75/339857275.db2.gz CJFLSNIEJAVJIF-QGZVFWFLSA-N 1 2 324.428 2.727 20 30 DFEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(Cl)cc1 ZINC000491645584 339870852 /nfs/dbraw/zinc/87/08/52/339870852.db2.gz PBQGRKQNSTWLNO-HNNXBMFYSA-N 1 2 315.804 2.834 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(Cl)cc1F ZINC000491779288 339881092 /nfs/dbraw/zinc/88/10/92/339881092.db2.gz ITQCGEOMWDBXGA-HNNXBMFYSA-N 1 2 318.783 2.799 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491816431 339884192 /nfs/dbraw/zinc/88/41/92/339884192.db2.gz WSFGZKMHMWXGDW-SWLSCSKDSA-N 1 2 316.792 2.599 20 30 DFEDLO C#CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)C1CCCC1 ZINC000491818393 339884445 /nfs/dbraw/zinc/88/44/45/339884445.db2.gz YHBDYNAPTAGVMF-UHFFFAOYSA-N 1 2 310.401 2.730 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)CC1 ZINC000497011451 340018204 /nfs/dbraw/zinc/01/82/04/340018204.db2.gz PSNYHLSBPXFLPH-HNNXBMFYSA-N 1 2 305.422 2.813 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)CC1 ZINC000497011451 340018205 /nfs/dbraw/zinc/01/82/05/340018205.db2.gz PSNYHLSBPXFLPH-HNNXBMFYSA-N 1 2 305.422 2.813 20 30 DFEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000505828964 340179082 /nfs/dbraw/zinc/17/90/82/340179082.db2.gz ZRPLBTHPURRREK-CQSZACIVSA-N 1 2 310.744 2.982 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000189878053 340540688 /nfs/dbraw/zinc/54/06/88/340540688.db2.gz VZZYMFPNQQPTHR-LJQANCHMSA-N 1 2 316.445 2.812 20 30 DFEDLO N#CC1(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CCC1 ZINC000538744596 340846449 /nfs/dbraw/zinc/84/64/49/340846449.db2.gz CKPCKNBMZZYVKE-UHFFFAOYSA-N 1 2 308.385 2.866 20 30 DFEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CC#N)CC1 ZINC000543807090 341059768 /nfs/dbraw/zinc/05/97/68/341059768.db2.gz LVXLYLZTIYNNEP-NSHDSACASA-N 1 2 307.344 2.917 20 30 DFEDLO CC#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135898251 341247856 /nfs/dbraw/zinc/24/78/56/341247856.db2.gz CQWZVKUIADKLLH-HUUCEWRRSA-N 1 2 323.799 2.547 20 30 DFEDLO CC#CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135898251 341247857 /nfs/dbraw/zinc/24/78/57/341247857.db2.gz CQWZVKUIADKLLH-HUUCEWRRSA-N 1 2 323.799 2.547 20 30 DFEDLO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661715 341268897 /nfs/dbraw/zinc/26/88/97/341268897.db2.gz LJJJOLXBNYNLSM-MRXNPFEDSA-N 1 2 316.449 2.976 20 30 DFEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000549152188 341287327 /nfs/dbraw/zinc/28/73/27/341287327.db2.gz MNFFZBAXEHNLMA-HOCLYGCPSA-N 1 2 312.417 2.748 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000550128646 341310648 /nfs/dbraw/zinc/31/06/48/341310648.db2.gz LJALVRLWNIMWLW-UHFFFAOYSA-N 1 2 306.409 2.847 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000550128646 341310649 /nfs/dbraw/zinc/31/06/49/341310649.db2.gz LJALVRLWNIMWLW-UHFFFAOYSA-N 1 2 306.409 2.847 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000550797094 341323327 /nfs/dbraw/zinc/32/33/27/341323327.db2.gz KYDJNPPMKQFOOE-UBHSHLNASA-N 1 2 304.419 2.526 20 30 DFEDLO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572576011 341561275 /nfs/dbraw/zinc/56/12/75/341561275.db2.gz JJRSORUESAFQRU-IBGZPJMESA-N 1 2 322.412 2.631 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000573060627 341715421 /nfs/dbraw/zinc/71/54/21/341715421.db2.gz MUNKYXYPDYHQNX-OAHLLOKOSA-N 1 2 307.401 2.798 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000518212560 500719793 /nfs/dbraw/zinc/71/97/93/500719793.db2.gz OKLHSHQEINEYPC-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000302206585 527223546 /nfs/dbraw/zinc/22/35/46/527223546.db2.gz DSEHLSMYFDDLPI-UHFFFAOYSA-N 1 2 320.396 2.873 20 30 DFEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000332582750 529048507 /nfs/dbraw/zinc/04/85/07/529048507.db2.gz IPZGGMDYQWWVDX-WMLDXEAASA-N 1 2 322.412 2.927 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000072861668 536131747 /nfs/dbraw/zinc/13/17/47/536131747.db2.gz KPMBRWMVDPYJJP-ZDUSSCGKSA-N 1 2 323.849 2.978 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000072861668 536131749 /nfs/dbraw/zinc/13/17/49/536131749.db2.gz KPMBRWMVDPYJJP-ZDUSSCGKSA-N 1 2 323.849 2.978 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208121 546174100 /nfs/dbraw/zinc/17/41/00/546174100.db2.gz HOEDSRWGJKIGPJ-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208121 546174104 /nfs/dbraw/zinc/17/41/04/546174104.db2.gz HOEDSRWGJKIGPJ-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N1CCN(c2c[nH+]ccc2C)CC1 ZINC000684896968 546299556 /nfs/dbraw/zinc/29/95/56/546299556.db2.gz WFKLGEAFWMFEIX-UHFFFAOYSA-N 1 2 320.396 2.791 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1c1c[nH+]cn1C)OCC ZINC000685306690 546341312 /nfs/dbraw/zinc/34/13/12/546341312.db2.gz ICUDTICARIALBB-GOEBONIOSA-N 1 2 305.422 2.845 20 30 DFEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccs1 ZINC000823909826 608503668 /nfs/dbraw/zinc/50/36/68/608503668.db2.gz RKHFRCMEYCGEJR-UHFFFAOYSA-N 1 2 301.375 2.709 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccs1 ZINC000823909826 608503669 /nfs/dbraw/zinc/50/36/69/608503669.db2.gz RKHFRCMEYCGEJR-UHFFFAOYSA-N 1 2 301.375 2.709 20 30 DFEDLO N#CCC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826380575 609388893 /nfs/dbraw/zinc/38/88/93/609388893.db2.gz FTEZJCMQNZELHB-UHFFFAOYSA-N 1 2 319.372 2.545 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278320878 214089591 /nfs/dbraw/zinc/08/95/91/214089591.db2.gz CGFHQVSVAYQEFC-NSHDSACASA-N 1 2 305.332 2.608 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278320878 214089594 /nfs/dbraw/zinc/08/95/94/214089594.db2.gz CGFHQVSVAYQEFC-NSHDSACASA-N 1 2 305.332 2.608 20 30 DFEDLO COc1cc(OC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000278481098 214181976 /nfs/dbraw/zinc/18/19/76/214181976.db2.gz VLBOWJYFAWWITM-CQSZACIVSA-N 1 2 324.380 2.993 20 30 DFEDLO COc1cc(OC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000278481098 214181977 /nfs/dbraw/zinc/18/19/77/214181977.db2.gz VLBOWJYFAWWITM-CQSZACIVSA-N 1 2 324.380 2.993 20 30 DFEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C#N)[nH+]c2c1 ZINC000596186333 398351561 /nfs/dbraw/zinc/35/15/61/398351561.db2.gz UPBMCHJZVRWIJA-DZGCQCFKSA-N 1 2 311.389 2.524 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000081515138 398354944 /nfs/dbraw/zinc/35/49/44/398354944.db2.gz URODSFKHKMOQMD-CQSZACIVSA-N 1 2 305.447 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000081515138 398354946 /nfs/dbraw/zinc/35/49/46/398354946.db2.gz URODSFKHKMOQMD-CQSZACIVSA-N 1 2 305.447 2.887 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000578775668 398375701 /nfs/dbraw/zinc/37/57/01/398375701.db2.gz GJRGQBFITZNBII-GGPKGHCWSA-N 1 2 321.424 2.903 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075655 398377706 /nfs/dbraw/zinc/37/77/06/398377706.db2.gz XMRKIMBAKTUNNO-IAGOWNOFSA-N 1 2 324.428 2.877 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075655 398377709 /nfs/dbraw/zinc/37/77/09/398377709.db2.gz XMRKIMBAKTUNNO-IAGOWNOFSA-N 1 2 324.428 2.877 20 30 DFEDLO CC(C)N(CCC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000579611089 398381975 /nfs/dbraw/zinc/38/19/75/398381975.db2.gz NQOODHVZQWGRLP-NSHDSACASA-N 1 2 316.327 2.607 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361481 185313983 /nfs/dbraw/zinc/31/39/83/185313983.db2.gz TYNMNMLXEIYBSF-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CC[N@H+](Cc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361481 185313984 /nfs/dbraw/zinc/31/39/84/185313984.db2.gz TYNMNMLXEIYBSF-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092612874 185328617 /nfs/dbraw/zinc/32/86/17/185328617.db2.gz BXKZDSVPHYFGKM-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C=CCOc1cccc(NC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000092734461 185337268 /nfs/dbraw/zinc/33/72/68/185337268.db2.gz FHVWGNNRCSTKQH-UHFFFAOYSA-N 1 2 300.362 2.649 20 30 DFEDLO C=CCCCNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000581864335 398393227 /nfs/dbraw/zinc/39/32/27/398393227.db2.gz MISSYLZPCQLOQK-CYBMUJFWSA-N 1 2 304.438 2.761 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000584730818 398404530 /nfs/dbraw/zinc/40/45/30/398404530.db2.gz QQLIHJFEYKVDPI-LSDHHAIUSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000584730818 398404532 /nfs/dbraw/zinc/40/45/32/398404532.db2.gz QQLIHJFEYKVDPI-LSDHHAIUSA-N 1 2 304.438 2.842 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H](C2CCC2)C1 ZINC000596524686 398438496 /nfs/dbraw/zinc/43/84/96/398438496.db2.gz CUSQCYKPAKDJFX-AWEZNQCLSA-N 1 2 310.405 2.756 20 30 DFEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1Cl ZINC000057907269 334953718 /nfs/dbraw/zinc/95/37/18/334953718.db2.gz AZJJHEWCAKRQQQ-LBPRGKRZSA-N 1 2 305.809 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592353 398455793 /nfs/dbraw/zinc/45/57/93/398455793.db2.gz NXLJAJKSHAHEDA-AEFFLSMTSA-N 1 2 314.433 2.519 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592353 398455795 /nfs/dbraw/zinc/45/57/95/398455795.db2.gz NXLJAJKSHAHEDA-AEFFLSMTSA-N 1 2 314.433 2.519 20 30 DFEDLO COc1ccc([C@@H](NC[C@H](C#N)CCC#N)c2[nH+]ccn2C)cc1 ZINC000028693491 398475373 /nfs/dbraw/zinc/47/53/73/398475373.db2.gz IUCZMNNOWVXHNJ-WMLDXEAASA-N 1 2 323.400 2.551 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000596722223 398485965 /nfs/dbraw/zinc/48/59/65/398485965.db2.gz QQLGURHICZXRHK-CYBMUJFWSA-N 1 2 308.451 2.608 20 30 DFEDLO C=CCCSCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000596721729 398486096 /nfs/dbraw/zinc/48/60/96/398486096.db2.gz NBRMDXVBGKUWBV-ZDUSSCGKSA-N 1 2 308.451 2.956 20 30 DFEDLO C=CCCSCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000596721727 398486189 /nfs/dbraw/zinc/48/61/89/398486189.db2.gz NBRMDXVBGKUWBV-CYBMUJFWSA-N 1 2 308.451 2.956 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(F)c1 ZINC000029593656 398487864 /nfs/dbraw/zinc/48/78/64/398487864.db2.gz MXORFMJFDXKFKJ-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1C#N ZINC000588202737 398488951 /nfs/dbraw/zinc/48/89/51/398488951.db2.gz BZYDRVPRDXFIEQ-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1C#N ZINC000588202737 398488956 /nfs/dbraw/zinc/48/89/56/398488956.db2.gz BZYDRVPRDXFIEQ-UHFFFAOYSA-N 1 2 305.179 2.676 20 30 DFEDLO N#CCCCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000588270050 398492162 /nfs/dbraw/zinc/49/21/62/398492162.db2.gz YBCLXUUKKHVVMU-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO N#CCCCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000588273099 398492400 /nfs/dbraw/zinc/49/24/00/398492400.db2.gz ZOVGKSYZCJGSOJ-UHFFFAOYSA-N 1 2 315.417 2.931 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000588337979 398494438 /nfs/dbraw/zinc/49/44/38/398494438.db2.gz GSASNFOYVDARTQ-UHFFFAOYSA-N 1 2 315.417 2.510 20 30 DFEDLO N#Cc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068370583 398499008 /nfs/dbraw/zinc/49/90/08/398499008.db2.gz WJWNORHZBKCKMC-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1cc(C#N)ccc1F ZINC000030204456 398498243 /nfs/dbraw/zinc/49/82/43/398498243.db2.gz VYRNFSWLYAKAEJ-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(C#N)ccc1F ZINC000030204456 398498247 /nfs/dbraw/zinc/49/82/47/398498247.db2.gz VYRNFSWLYAKAEJ-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO CCOCC[N@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068890 398506841 /nfs/dbraw/zinc/50/68/41/398506841.db2.gz HSBFNTYBOYKZBL-UHFFFAOYSA-N 1 2 312.417 2.911 20 30 DFEDLO CCOCC[N@@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068890 398506844 /nfs/dbraw/zinc/50/68/44/398506844.db2.gz HSBFNTYBOYKZBL-UHFFFAOYSA-N 1 2 312.417 2.911 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000091076337 398507797 /nfs/dbraw/zinc/50/77/97/398507797.db2.gz YWWMZNJOIDDLOM-BEFAXECRSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000091076337 398507798 /nfs/dbraw/zinc/50/77/98/398507798.db2.gz YWWMZNJOIDDLOM-BEFAXECRSA-N 1 2 324.428 2.645 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000068612892 398516101 /nfs/dbraw/zinc/51/61/01/398516101.db2.gz NEGCWLLBEZZGAV-RYUDHWBXSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000068612892 398516104 /nfs/dbraw/zinc/51/61/04/398516104.db2.gz NEGCWLLBEZZGAV-RYUDHWBXSA-N 1 2 316.323 2.679 20 30 DFEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)c1 ZINC000593012585 398519414 /nfs/dbraw/zinc/51/94/14/398519414.db2.gz ZRSJUZIGBPJCQK-UHFFFAOYSA-N 1 2 322.412 2.744 20 30 DFEDLO N#CCCN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596895679 398524647 /nfs/dbraw/zinc/52/46/47/398524647.db2.gz XHMYTDDUEXOOHP-INIZCTEOSA-N 1 2 321.384 2.588 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC2(CCOCC2)O1 ZINC000279662073 215041832 /nfs/dbraw/zinc/04/18/32/215041832.db2.gz CQOJQXVMXJUVOE-CYBMUJFWSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC2(CCOCC2)O1 ZINC000279662073 215041834 /nfs/dbraw/zinc/04/18/34/215041834.db2.gz CQOJQXVMXJUVOE-CYBMUJFWSA-N 1 2 320.820 2.982 20 30 DFEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593028328 398524257 /nfs/dbraw/zinc/52/42/57/398524257.db2.gz APMKHBGHXODUOO-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593028328 398524259 /nfs/dbraw/zinc/52/42/59/398524259.db2.gz APMKHBGHXODUOO-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596900504 398525489 /nfs/dbraw/zinc/52/54/89/398525489.db2.gz OZCKAAIBYZJMCZ-ZDUSSCGKSA-N 1 2 324.384 2.812 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596900504 398525493 /nfs/dbraw/zinc/52/54/93/398525493.db2.gz OZCKAAIBYZJMCZ-ZDUSSCGKSA-N 1 2 324.384 2.812 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000589128568 398529595 /nfs/dbraw/zinc/52/95/95/398529595.db2.gz FOWRWYSIIFSMOK-MRXNPFEDSA-N 1 2 308.385 2.588 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)ccc2OC)n1 ZINC000279694558 215066887 /nfs/dbraw/zinc/06/68/87/215066887.db2.gz IBMSAUSPNZPYKR-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)ccc2OC)n1 ZINC000279694558 215066889 /nfs/dbraw/zinc/06/68/89/215066889.db2.gz IBMSAUSPNZPYKR-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1[nH+]ccn1C ZINC000596933485 398532072 /nfs/dbraw/zinc/53/20/72/398532072.db2.gz AWVIFZRBPCPKIS-CYBMUJFWSA-N 1 2 323.400 2.731 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000068855649 398533170 /nfs/dbraw/zinc/53/31/70/398533170.db2.gz JUKJFNHCQFHHOY-MRXNPFEDSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000068855649 398533171 /nfs/dbraw/zinc/53/31/71/398533171.db2.gz JUKJFNHCQFHHOY-MRXNPFEDSA-N 1 2 311.429 2.805 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000091743368 398544033 /nfs/dbraw/zinc/54/40/33/398544033.db2.gz LDUXJKSESHJPSM-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#CC1(CC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000597012544 398547169 /nfs/dbraw/zinc/54/71/69/398547169.db2.gz WKNRJYYCZGRJSD-UHFFFAOYSA-N 1 2 300.406 2.911 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1Cc1nc(C#N)cs1 ZINC000589499289 398557079 /nfs/dbraw/zinc/55/70/79/398557079.db2.gz OADUTGBKDSTWSZ-ZDUSSCGKSA-N 1 2 301.419 2.958 20 30 DFEDLO CCCc1ccc(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593153128 398559843 /nfs/dbraw/zinc/55/98/43/398559843.db2.gz AMDUCQMPHKGGES-LJQANCHMSA-N 1 2 315.461 2.922 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccccc2C)n1 ZINC000279810514 215166936 /nfs/dbraw/zinc/16/69/36/215166936.db2.gz XNUMWTPDSDGYAG-MRXNPFEDSA-N 1 2 324.428 2.674 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccccc2C)n1 ZINC000279810514 215166939 /nfs/dbraw/zinc/16/69/39/215166939.db2.gz XNUMWTPDSDGYAG-MRXNPFEDSA-N 1 2 324.428 2.674 20 30 DFEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597074817 398561199 /nfs/dbraw/zinc/56/11/99/398561199.db2.gz FMZWMOQCDKXSKO-JKSUJKDBSA-N 1 2 310.401 2.986 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000069355477 398566099 /nfs/dbraw/zinc/56/60/99/398566099.db2.gz CIHIWGBZCZGIIF-OAHLLOKOSA-N 1 2 317.433 2.669 20 30 DFEDLO CC(C)(C#N)CCS(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000593206642 398571739 /nfs/dbraw/zinc/57/17/39/398571739.db2.gz LEVKOGWGTBRULH-UHFFFAOYSA-N 1 2 303.387 2.916 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000597136824 398574433 /nfs/dbraw/zinc/57/44/33/398574433.db2.gz WMDAAPOOYAXOAB-OAHLLOKOSA-N 1 2 300.406 2.911 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279895140 215214873 /nfs/dbraw/zinc/21/48/73/215214873.db2.gz UYTYDNJDLJMOCW-ZXFNITATSA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279895140 215214875 /nfs/dbraw/zinc/21/48/75/215214875.db2.gz UYTYDNJDLJMOCW-ZXFNITATSA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](c1cccc(NC(=O)[C@@H](C)CC#N)c1)[NH+]1CCOCC1 ZINC000597154539 398577867 /nfs/dbraw/zinc/57/78/67/398577867.db2.gz PFRNAEGWIONUPE-UONOGXRCSA-N 1 2 301.390 2.568 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279894999 215215566 /nfs/dbraw/zinc/21/55/66/215215566.db2.gz UYOCHYZDGGKBPH-XJKSGUPXSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279894999 215215569 /nfs/dbraw/zinc/21/55/69/215215569.db2.gz UYOCHYZDGGKBPH-XJKSGUPXSA-N 1 2 315.417 2.632 20 30 DFEDLO CCCn1nccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184026 398584451 /nfs/dbraw/zinc/58/44/51/398584451.db2.gz RESZJIXARVMVLF-UHFFFAOYSA-N 1 2 315.446 2.548 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597196198 398587498 /nfs/dbraw/zinc/58/74/98/398587498.db2.gz DHFACYRWBZPGAX-HIFRSBDPSA-N 1 2 303.454 2.781 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1cscc1C#N ZINC000590267198 398609010 /nfs/dbraw/zinc/60/90/10/398609010.db2.gz OZCDDURRHAVUON-UHFFFAOYSA-N 1 2 324.409 2.962 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000280690789 334969702 /nfs/dbraw/zinc/96/97/02/334969702.db2.gz RNMHMOWTKPVEPL-ZACQAIPSSA-N 1 2 303.402 2.862 20 30 DFEDLO N#CC1(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000590324784 398613663 /nfs/dbraw/zinc/61/36/63/398613663.db2.gz XXSGCFPWRFEGJC-UHFFFAOYSA-N 1 2 300.406 2.596 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590327725 398614613 /nfs/dbraw/zinc/61/46/13/398614613.db2.gz CYNKEFXCUVJRLD-ZDUSSCGKSA-N 1 2 303.431 2.647 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)C[C@@H](C)C#N ZINC000043471629 398622827 /nfs/dbraw/zinc/62/28/27/398622827.db2.gz SOPYORUFMAEGBO-ZDUSSCGKSA-N 1 2 313.405 2.536 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC2(C#N)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000593430236 398625833 /nfs/dbraw/zinc/62/58/33/398625833.db2.gz NRYDFMXQGWINSW-HUUCEWRRSA-N 1 2 315.421 2.560 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000597376264 398630292 /nfs/dbraw/zinc/63/02/92/398630292.db2.gz JARGGLCJMKNVNP-CYBMUJFWSA-N 1 2 323.400 2.765 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000597376264 398630295 /nfs/dbraw/zinc/63/02/95/398630295.db2.gz JARGGLCJMKNVNP-CYBMUJFWSA-N 1 2 323.400 2.765 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)OCC)cc(OC)c1O ZINC000093323328 398631028 /nfs/dbraw/zinc/63/10/28/398631028.db2.gz WUAJNNQOLACRMN-GFCCVEGCSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CCc1cc(C[N@H+](C)[C@H](C)C(=O)OCC)cc(OC)c1O ZINC000093323328 398631030 /nfs/dbraw/zinc/63/10/30/398631030.db2.gz WUAJNNQOLACRMN-GFCCVEGCSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000353638539 398639028 /nfs/dbraw/zinc/63/90/28/398639028.db2.gz SCXZZLQNZQZFPY-HNNXBMFYSA-N 1 2 323.458 2.508 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000353638539 398639031 /nfs/dbraw/zinc/63/90/31/398639031.db2.gz SCXZZLQNZQZFPY-HNNXBMFYSA-N 1 2 323.458 2.508 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000365459248 398648879 /nfs/dbraw/zinc/64/88/79/398648879.db2.gz IQRGXRVLMXPTOR-INIZCTEOSA-N 1 2 308.385 2.506 20 30 DFEDLO Cc1ccc(Br)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000590709484 398656604 /nfs/dbraw/zinc/65/66/04/398656604.db2.gz VMXNYIDIBUAKLJ-UHFFFAOYSA-N 1 2 322.250 2.789 20 30 DFEDLO C[C@@H](CC#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000597534229 398657654 /nfs/dbraw/zinc/65/76/54/398657654.db2.gz LYCMCMJDEWPEIV-IHRRRGAJSA-N 1 2 323.437 2.669 20 30 DFEDLO C[C@@H](CC#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000597534229 398657660 /nfs/dbraw/zinc/65/76/60/398657660.db2.gz LYCMCMJDEWPEIV-IHRRRGAJSA-N 1 2 323.437 2.669 20 30 DFEDLO COc1cc(OC)c(C[NH2+]CC2(C#N)CCCC2)c(OC)c1 ZINC000593653104 398665905 /nfs/dbraw/zinc/66/59/05/398665905.db2.gz SOPCMOYWKBTUSV-UHFFFAOYSA-N 1 2 304.390 2.886 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000597605276 398667439 /nfs/dbraw/zinc/66/74/39/398667439.db2.gz NGRWLLTYWGXNDP-ZDUSSCGKSA-N 1 2 321.384 2.530 20 30 DFEDLO CC[C@@H]([NH2+]Cc1ncc2c(n1)CCOC2)c1ccc(C#N)cc1 ZINC000593716882 398676078 /nfs/dbraw/zinc/67/60/78/398676078.db2.gz YDNAHZGEKOUTDU-MRXNPFEDSA-N 1 2 308.385 2.662 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000590807883 398678667 /nfs/dbraw/zinc/67/86/67/398678667.db2.gz WEZAEGKFGWQWGA-STQMWFEESA-N 1 2 311.389 2.896 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045710825 398681052 /nfs/dbraw/zinc/68/10/52/398681052.db2.gz QTSZPUIHZFSDDZ-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072837224 191236060 /nfs/dbraw/zinc/23/60/60/191236060.db2.gz IRWUODPSJHPZBR-AWEZNQCLSA-N 1 2 321.446 2.780 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H](C(C)C)C2)c(C#N)c1C ZINC000072837224 191236063 /nfs/dbraw/zinc/23/60/63/191236063.db2.gz IRWUODPSJHPZBR-AWEZNQCLSA-N 1 2 321.446 2.780 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219735 198197256 /nfs/dbraw/zinc/19/72/56/198197256.db2.gz JKNLLESLEIXGGP-IUCAKERBSA-N 1 2 321.368 2.893 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000173582244 198229511 /nfs/dbraw/zinc/22/95/11/198229511.db2.gz DPJUKQCMPOOTHO-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000173582244 198229512 /nfs/dbraw/zinc/22/95/12/198229512.db2.gz DPJUKQCMPOOTHO-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000593898745 398701480 /nfs/dbraw/zinc/70/14/80/398701480.db2.gz JHALPWWIHMFLIY-AWEZNQCLSA-N 1 2 310.401 2.894 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CCCCC#N)C2 ZINC000593969629 398710579 /nfs/dbraw/zinc/71/05/79/398710579.db2.gz BYHJVMDCBIRMSW-CYBMUJFWSA-N 1 2 302.422 2.696 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cscc1C#N ZINC000590993185 398713207 /nfs/dbraw/zinc/71/32/07/398713207.db2.gz SSNBDANZPUZOMQ-CYBMUJFWSA-N 1 2 300.387 2.721 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000591026513 398717257 /nfs/dbraw/zinc/71/72/57/398717257.db2.gz HUQMHTRPMYAEGS-WMLDXEAASA-N 1 2 320.458 2.774 20 30 DFEDLO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000591026513 398717261 /nfs/dbraw/zinc/71/72/61/398717261.db2.gz HUQMHTRPMYAEGS-WMLDXEAASA-N 1 2 320.458 2.774 20 30 DFEDLO C=CCc1cc(C(=O)Nc2cc[nH+]cc2O)cc(OC)c1OC ZINC000109890923 398719439 /nfs/dbraw/zinc/71/94/39/398719439.db2.gz XQGNYVNMPHVHAJ-UHFFFAOYSA-N 1 2 314.341 2.785 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCCc1ccccc1 ZINC000109812664 398719508 /nfs/dbraw/zinc/71/95/08/398719508.db2.gz ACWYHBXGGHOAPB-UHFFFAOYSA-N 1 2 315.461 2.997 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCCc1ccccc1 ZINC000109812664 398719513 /nfs/dbraw/zinc/71/95/13/398719513.db2.gz ACWYHBXGGHOAPB-UHFFFAOYSA-N 1 2 315.461 2.997 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000594009794 398720326 /nfs/dbraw/zinc/72/03/26/398720326.db2.gz KNJFAIXMVJCRHK-MAUKXSAKSA-N 1 2 317.433 2.790 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000597940736 398724116 /nfs/dbraw/zinc/72/41/16/398724116.db2.gz JUCKXKXPVXUPSZ-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO C[C@@](C#N)(CCc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC000110840317 398724450 /nfs/dbraw/zinc/72/44/50/398724450.db2.gz CTTJQPYRKJMTBA-SFHVURJKSA-N 1 2 310.401 2.695 20 30 DFEDLO C=CC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000110830620 398724508 /nfs/dbraw/zinc/72/45/08/398724508.db2.gz JYFGIAKQBJFXIJ-HNNXBMFYSA-N 1 2 324.218 2.625 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941618 398725202 /nfs/dbraw/zinc/72/52/02/398725202.db2.gz RPVNQPJHDORWHG-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000046944506 398726319 /nfs/dbraw/zinc/72/63/19/398726319.db2.gz NMMZTHBEWBFWJW-CQSZACIVSA-N 1 2 323.400 2.816 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)CCCCC#N ZINC000594058192 398734702 /nfs/dbraw/zinc/73/47/02/398734702.db2.gz PUOJCYSPQYEGGX-MRXNPFEDSA-N 1 2 310.401 2.904 20 30 DFEDLO CCN(Cc1occc1C)c1[nH+]cnc2c1cnn2CCC#N ZINC000591197381 398738184 /nfs/dbraw/zinc/73/81/84/398738184.db2.gz OOEKQYKIFJSGFA-UHFFFAOYSA-N 1 2 310.361 2.668 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594079604 398738775 /nfs/dbraw/zinc/73/87/75/398738775.db2.gz ITXRNNORGTWCHL-UHFFFAOYSA-N 1 2 306.369 2.885 20 30 DFEDLO COC(=O)C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000047628218 398756075 /nfs/dbraw/zinc/75/60/75/398756075.db2.gz WYEKWMWGISOYQW-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO COC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000047628218 398756077 /nfs/dbraw/zinc/75/60/77/398756077.db2.gz WYEKWMWGISOYQW-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO COC(=O)C[N@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000134232788 283177713 /nfs/dbraw/zinc/17/77/13/283177713.db2.gz FKYFPTFSLCRIRE-UHFFFAOYSA-N 1 2 311.385 2.729 20 30 DFEDLO COC(=O)C[N@@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000134232788 283177715 /nfs/dbraw/zinc/17/77/15/283177715.db2.gz FKYFPTFSLCRIRE-UHFFFAOYSA-N 1 2 311.385 2.729 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594273462 398777488 /nfs/dbraw/zinc/77/74/88/398777488.db2.gz OVFRYQIXCGYJIF-MAUKXSAKSA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594273461 398777702 /nfs/dbraw/zinc/77/77/02/398777702.db2.gz OVFRYQIXCGYJIF-CRAIPNDOSA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594273463 398777791 /nfs/dbraw/zinc/77/77/91/398777791.db2.gz OVFRYQIXCGYJIF-QAPCUYQASA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000594277795 398778436 /nfs/dbraw/zinc/77/84/36/398778436.db2.gz NLZVBYJNOFLVDP-WMLDXEAASA-N 1 2 322.412 2.866 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C#N ZINC000135161986 283210218 /nfs/dbraw/zinc/21/02/18/283210218.db2.gz LDQVFZUNZYWFKE-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C#N ZINC000135161986 283210224 /nfs/dbraw/zinc/21/02/24/283210224.db2.gz LDQVFZUNZYWFKE-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO Cc1csc(N2CCN(c3cc(C)[nH+]cc3C#N)C[C@H]2C)n1 ZINC000591819619 398791145 /nfs/dbraw/zinc/79/11/45/398791145.db2.gz VUKSIMYKRDOUBP-CYBMUJFWSA-N 1 2 313.430 2.742 20 30 DFEDLO Cc1csc(N2CCN(c3cc(C)[nH+]cc3C#N)C[C@@H]2C)n1 ZINC000591819620 398791437 /nfs/dbraw/zinc/79/14/37/398791437.db2.gz VUKSIMYKRDOUBP-ZDUSSCGKSA-N 1 2 313.430 2.742 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1nnc2ccccn21 ZINC000049681233 398797722 /nfs/dbraw/zinc/79/77/22/398797722.db2.gz NBLPLRAQCXENHA-UHFFFAOYSA-N 1 2 306.329 2.676 20 30 DFEDLO C#CC[N@@H+](Cc1nc(CC(F)(F)F)no1)C1CCCCC1 ZINC000075674006 398817127 /nfs/dbraw/zinc/81/71/27/398817127.db2.gz VXPZVEYOTSAFLZ-UHFFFAOYSA-N 1 2 301.312 2.942 20 30 DFEDLO C#CC[N@H+](Cc1nc(CC(F)(F)F)no1)C1CCCCC1 ZINC000075674006 398817131 /nfs/dbraw/zinc/81/71/31/398817131.db2.gz VXPZVEYOTSAFLZ-UHFFFAOYSA-N 1 2 301.312 2.942 20 30 DFEDLO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1[nH+]ccn1C ZINC000598465364 398817255 /nfs/dbraw/zinc/81/72/55/398817255.db2.gz QSXNCMCSSAAALC-NSHDSACASA-N 1 2 314.364 2.586 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cscn1 ZINC000594712059 398847324 /nfs/dbraw/zinc/84/73/24/398847324.db2.gz PKAIRLPEAFKFHS-GXSJLCMTSA-N 1 2 318.427 2.532 20 30 DFEDLO C=CC[C@H](CC)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000281701324 334987706 /nfs/dbraw/zinc/98/77/06/334987706.db2.gz SYRXJUFHJISNKM-QMMMGPOBSA-N 1 2 310.199 2.892 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598650919 398848353 /nfs/dbraw/zinc/84/83/53/398848353.db2.gz SPFSNWVYCIBMTK-WFASDCNBSA-N 1 2 315.408 2.798 20 30 DFEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)s1 ZINC000180297697 199143156 /nfs/dbraw/zinc/14/31/56/199143156.db2.gz XFFOKGTWNMGYPZ-UHFFFAOYSA-N 1 2 314.414 2.588 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000598705374 398858050 /nfs/dbraw/zinc/85/80/50/398858050.db2.gz IHMUITQDEFVVJL-CYBMUJFWSA-N 1 2 300.324 2.808 20 30 DFEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccccc1C#N ZINC000180595598 199181766 /nfs/dbraw/zinc/18/17/66/199181766.db2.gz YVRSQUDITWLSRY-UHFFFAOYSA-N 1 2 323.396 2.909 20 30 DFEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccccc1C#N ZINC000180595598 199181768 /nfs/dbraw/zinc/18/17/68/199181768.db2.gz YVRSQUDITWLSRY-UHFFFAOYSA-N 1 2 323.396 2.909 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000076849793 398872769 /nfs/dbraw/zinc/87/27/69/398872769.db2.gz VGRWBZVCHMLDFV-OAHLLOKOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000076849793 398872770 /nfs/dbraw/zinc/87/27/70/398872770.db2.gz VGRWBZVCHMLDFV-OAHLLOKOSA-N 1 2 302.418 2.694 20 30 DFEDLO N#Cc1cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC000076824987 398871533 /nfs/dbraw/zinc/87/15/33/398871533.db2.gz KFURNJQDPLTWDH-ZDUSSCGKSA-N 1 2 324.359 2.947 20 30 DFEDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ncnn21 ZINC000594957129 398880877 /nfs/dbraw/zinc/88/08/77/398880877.db2.gz NBCRNKPIJYRROH-XJKSGUPXSA-N 1 2 311.389 2.756 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cccc(OC3CC3)c2F)n1 ZINC000594971327 398884097 /nfs/dbraw/zinc/88/40/97/398884097.db2.gz FAXDMWFNGNYVEC-UHFFFAOYSA-N 1 2 303.362 2.985 20 30 DFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000598950104 398896245 /nfs/dbraw/zinc/89/62/45/398896245.db2.gz OKAITHJFLROWON-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000598950104 398896246 /nfs/dbraw/zinc/89/62/46/398896246.db2.gz OKAITHJFLROWON-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000187701337 200147029 /nfs/dbraw/zinc/14/70/29/200147029.db2.gz AQXAIVMASKJDRT-ZIAGYGMSSA-N 1 2 314.458 2.728 20 30 DFEDLO Cc1cc(C#N)nc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000281065607 216056497 /nfs/dbraw/zinc/05/64/97/216056497.db2.gz ZONMMOFFXJFSMQ-UHFFFAOYSA-N 1 2 308.389 2.654 20 30 DFEDLO CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000188734730 200297107 /nfs/dbraw/zinc/29/71/07/200297107.db2.gz CXXWLPZSUISDKC-CQSZACIVSA-N 1 2 310.401 2.834 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000189104906 200349120 /nfs/dbraw/zinc/34/91/20/200349120.db2.gz HCORMHQMUQMJFN-QGZVFWFLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000189104906 200349121 /nfs/dbraw/zinc/34/91/21/200349121.db2.gz HCORMHQMUQMJFN-QGZVFWFLSA-N 1 2 316.445 2.573 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599155413 398930999 /nfs/dbraw/zinc/93/09/99/398930999.db2.gz SGTOYNDHYVLCIO-CQSZACIVSA-N 1 2 324.384 2.663 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077975894 398932269 /nfs/dbraw/zinc/93/22/69/398932269.db2.gz PVJHGSXKKFKQCT-QGZVFWFLSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077975894 398932270 /nfs/dbraw/zinc/93/22/70/398932270.db2.gz PVJHGSXKKFKQCT-QGZVFWFLSA-N 1 2 306.369 2.556 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1[nH]nc(C)c1C(=O)OCC ZINC000595423512 398935655 /nfs/dbraw/zinc/93/56/55/398935655.db2.gz CCHAUTHWVQCFCH-UHFFFAOYSA-N 1 2 317.389 2.719 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1[nH]nc(C)c1C(=O)OCC ZINC000595423512 398935656 /nfs/dbraw/zinc/93/56/56/398935656.db2.gz CCHAUTHWVQCFCH-UHFFFAOYSA-N 1 2 317.389 2.719 20 30 DFEDLO Cc1nocc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000595432272 398937091 /nfs/dbraw/zinc/93/70/91/398937091.db2.gz YHVCFZXVGKRWJH-QGZVFWFLSA-N 1 2 314.364 2.505 20 30 DFEDLO C/C=C\C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000599201314 398939025 /nfs/dbraw/zinc/93/90/25/398939025.db2.gz IXICBKUDJIUPPB-PYLYLYNFSA-N 1 2 310.405 2.923 20 30 DFEDLO COCC[N@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000154260361 398940521 /nfs/dbraw/zinc/94/05/21/398940521.db2.gz WYKDYYAPQVOPQP-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO COCC[N@@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000154260361 398940525 /nfs/dbraw/zinc/94/05/25/398940525.db2.gz WYKDYYAPQVOPQP-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595499277 398950527 /nfs/dbraw/zinc/95/05/27/398950527.db2.gz WDXSNRUZXQJLJM-SJORKVTESA-N 1 2 322.412 2.866 20 30 DFEDLO Cc1ccc2sc(C[NH+]3CCN(CCC#N)CC3)nc2c1 ZINC000599335726 398955704 /nfs/dbraw/zinc/95/57/04/398955704.db2.gz BCLSJJJPSZIWKY-UHFFFAOYSA-N 1 2 300.431 2.636 20 30 DFEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000599339922 398955935 /nfs/dbraw/zinc/95/59/35/398955935.db2.gz YCZRPRORVRCCPA-OAHLLOKOSA-N 1 2 324.371 2.665 20 30 DFEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000599339922 398955940 /nfs/dbraw/zinc/95/59/40/398955940.db2.gz YCZRPRORVRCCPA-OAHLLOKOSA-N 1 2 324.371 2.665 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613351704 398958960 /nfs/dbraw/zinc/95/89/60/398958960.db2.gz BNJXFAPCLWUNPN-GUYCJALGSA-N 1 2 303.406 2.644 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1C#N ZINC000193615506 201086889 /nfs/dbraw/zinc/08/68/89/201086889.db2.gz DCOBKQSWLDQSQZ-UHFFFAOYSA-N 1 2 312.373 2.650 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000595569121 398976061 /nfs/dbraw/zinc/97/60/61/398976061.db2.gz ZZBDDWRGBOBOIP-ZLDLUXBVSA-N 1 2 301.390 2.970 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000595569121 398976067 /nfs/dbraw/zinc/97/60/67/398976067.db2.gz ZZBDDWRGBOBOIP-ZLDLUXBVSA-N 1 2 301.390 2.970 20 30 DFEDLO CCOC[C@@H]1C[N@@H+]([C@@H](C#N)c2ccccc2)C[C@H]1c1cnn(C)c1 ZINC000595585205 398984211 /nfs/dbraw/zinc/98/42/11/398984211.db2.gz NHFNHIRQMYGSKZ-FHWLQOOXSA-N 1 2 324.428 2.737 20 30 DFEDLO CCOC[C@@H]1C[N@H+]([C@@H](C#N)c2ccccc2)C[C@H]1c1cnn(C)c1 ZINC000595585205 398984217 /nfs/dbraw/zinc/98/42/17/398984217.db2.gz NHFNHIRQMYGSKZ-FHWLQOOXSA-N 1 2 324.428 2.737 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595611878 398998483 /nfs/dbraw/zinc/99/84/83/398998483.db2.gz OEWKJRHKLFKZHU-LBPRGKRZSA-N 1 2 304.394 2.536 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595611878 398998488 /nfs/dbraw/zinc/99/84/88/398998488.db2.gz OEWKJRHKLFKZHU-LBPRGKRZSA-N 1 2 304.394 2.536 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000595609951 398997352 /nfs/dbraw/zinc/99/73/52/398997352.db2.gz QSBVDHDNYLUDEW-LBPRGKRZSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000595609951 398997356 /nfs/dbraw/zinc/99/73/56/398997356.db2.gz QSBVDHDNYLUDEW-LBPRGKRZSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615043 399001650 /nfs/dbraw/zinc/00/16/50/399001650.db2.gz OLBCVKJTSZJEFJ-CJNGLKHVSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615043 399001656 /nfs/dbraw/zinc/00/16/56/399001656.db2.gz OLBCVKJTSZJEFJ-CJNGLKHVSA-N 1 2 301.365 2.557 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616142 399002290 /nfs/dbraw/zinc/00/22/90/399002290.db2.gz QHDXHECMAYTPFA-HUUCEWRRSA-N 1 2 315.417 2.956 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616142 399002294 /nfs/dbraw/zinc/00/22/94/399002294.db2.gz QHDXHECMAYTPFA-HUUCEWRRSA-N 1 2 315.417 2.956 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000595619768 399003846 /nfs/dbraw/zinc/00/38/46/399003846.db2.gz GUYKDPRZNWDRED-GFCCVEGCSA-N 1 2 314.414 2.860 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000595619768 399003850 /nfs/dbraw/zinc/00/38/50/399003850.db2.gz GUYKDPRZNWDRED-GFCCVEGCSA-N 1 2 314.414 2.860 20 30 DFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595616695 399003238 /nfs/dbraw/zinc/00/32/38/399003238.db2.gz VMGIUYVVEPPPJW-KBPBESRZSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595616695 399003242 /nfs/dbraw/zinc/00/32/42/399003242.db2.gz VMGIUYVVEPPPJW-KBPBESRZSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617085 399003285 /nfs/dbraw/zinc/00/32/85/399003285.db2.gz TYWPHEVBHVBBLP-ZDUSSCGKSA-N 1 2 319.371 2.659 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617085 399003288 /nfs/dbraw/zinc/00/32/88/399003288.db2.gz TYWPHEVBHVBBLP-ZDUSSCGKSA-N 1 2 319.371 2.659 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000595632648 399011837 /nfs/dbraw/zinc/01/18/37/399011837.db2.gz ZXEIVGTUOLSYNG-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595636833 399013283 /nfs/dbraw/zinc/01/32/83/399013283.db2.gz JTZBVWXDRSEXLX-UHFFFAOYSA-N 1 2 314.414 2.807 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2(C)COC2)c1C#N ZINC000599571336 399018113 /nfs/dbraw/zinc/01/81/13/399018113.db2.gz CIZXCHUTGHSSAU-UHFFFAOYSA-N 1 2 310.401 2.521 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2(C)COC2)c1C#N ZINC000599571336 399018115 /nfs/dbraw/zinc/01/81/15/399018115.db2.gz CIZXCHUTGHSSAU-UHFFFAOYSA-N 1 2 310.401 2.521 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)COC ZINC000595645599 399017536 /nfs/dbraw/zinc/01/75/36/399017536.db2.gz GBFQKFFIIABFJB-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)COC ZINC000595645599 399017540 /nfs/dbraw/zinc/01/75/40/399017540.db2.gz GBFQKFFIIABFJB-GFCCVEGCSA-N 1 2 321.808 2.673 20 30 DFEDLO Cc1cc(CNC(=O)NCCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000595650015 399020192 /nfs/dbraw/zinc/02/01/92/399020192.db2.gz BLNCENNWBITZPG-UHFFFAOYSA-N 1 2 308.385 2.612 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)C[C@@H](C)O2)n1 ZINC000599608000 399028388 /nfs/dbraw/zinc/02/83/88/399028388.db2.gz NGTQFFMGPFVNTG-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1noc([C@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)C[C@@H](C)O2)n1 ZINC000599608000 399028391 /nfs/dbraw/zinc/02/83/91/399028391.db2.gz NGTQFFMGPFVNTG-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1ccc(F)c(CN(C)c2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000618168780 399028819 /nfs/dbraw/zinc/02/88/19/399028819.db2.gz JGKNGZNTLRZWKA-UHFFFAOYSA-N 1 2 324.363 2.824 20 30 DFEDLO Cc1ccn2cc(CNC(=O)/C=C/c3cccc(C#N)c3)[nH+]c2c1 ZINC000057255537 399029444 /nfs/dbraw/zinc/02/94/44/399029444.db2.gz VRICWWOPOQZGRY-AATRIKPKSA-N 1 2 316.364 2.844 20 30 DFEDLO N#CCCCCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000599612033 399029520 /nfs/dbraw/zinc/02/95/20/399029520.db2.gz FJFVGMUIRSMKQG-UHFFFAOYSA-N 1 2 305.397 2.658 20 30 DFEDLO N#CCCCCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315623 399032820 /nfs/dbraw/zinc/03/28/20/399032820.db2.gz RVQUTONYKJUCAV-HNNXBMFYSA-N 1 2 300.337 2.838 20 30 DFEDLO Cc1cc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)n(C(C)(C)C)n1 ZINC000595692407 399038374 /nfs/dbraw/zinc/03/83/74/399038374.db2.gz NWBWSXDLCRHQEC-KBPBESRZSA-N 1 2 317.437 2.557 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595698226 399040769 /nfs/dbraw/zinc/04/07/69/399040769.db2.gz NBXNGQSKZLZDFO-NHYWBVRUSA-N 1 2 317.345 2.633 20 30 DFEDLO CCc1nc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C#N)sc1C ZINC000595702501 399046047 /nfs/dbraw/zinc/04/60/47/399046047.db2.gz KLSLHTDQNUKXBH-YPMHNXCESA-N 1 2 306.435 2.624 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000595705394 399047241 /nfs/dbraw/zinc/04/72/41/399047241.db2.gz VODSKCQEZVCYSO-DZGCQCFKSA-N 1 2 315.421 2.609 20 30 DFEDLO C[C@@H](C#N)N(Cc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000595714283 399050159 /nfs/dbraw/zinc/05/01/59/399050159.db2.gz RCNFUADSMWRMII-JTQLQIEISA-N 1 2 319.206 2.973 20 30 DFEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599659695 399050060 /nfs/dbraw/zinc/05/00/60/399050060.db2.gz LMXUMDLGXPKNQH-INIZCTEOSA-N 1 2 321.428 2.729 20 30 DFEDLO CC(C)Cc1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599675050 399056706 /nfs/dbraw/zinc/05/67/06/399056706.db2.gz HRJAJJSYWMKPRP-UHFFFAOYSA-N 1 2 310.401 2.892 20 30 DFEDLO CC(C)Cc1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599675050 399056714 /nfs/dbraw/zinc/05/67/14/399056714.db2.gz HRJAJJSYWMKPRP-UHFFFAOYSA-N 1 2 310.401 2.892 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000599676514 399057478 /nfs/dbraw/zinc/05/74/78/399057478.db2.gz ATUATNHUYBXIRR-UHFFFAOYSA-N 1 2 306.413 2.844 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000599676514 399057480 /nfs/dbraw/zinc/05/74/80/399057480.db2.gz ATUATNHUYBXIRR-UHFFFAOYSA-N 1 2 306.413 2.844 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c(C#N)c1C ZINC000599674489 399057500 /nfs/dbraw/zinc/05/75/00/399057500.db2.gz IFCZJNHOKPGSRO-GUYCJALGSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]32C)c(C#N)c1C ZINC000599674489 399057504 /nfs/dbraw/zinc/05/75/04/399057504.db2.gz IFCZJNHOKPGSRO-GUYCJALGSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000599710597 399072476 /nfs/dbraw/zinc/07/24/76/399072476.db2.gz JRTSNWMVAWZEEQ-DLBZAZTESA-N 1 2 322.412 2.915 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)o1 ZINC000595794622 399087904 /nfs/dbraw/zinc/08/79/04/399087904.db2.gz QVDMXGBNHHZRNI-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)o1 ZINC000595794622 399087912 /nfs/dbraw/zinc/08/79/12/399087912.db2.gz QVDMXGBNHHZRNI-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H](C)C#N ZINC000595818901 399097919 /nfs/dbraw/zinc/09/79/19/399097919.db2.gz ZOWCNLIMCRSVLG-NSHDSACASA-N 1 2 309.797 2.911 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H](C)C#N ZINC000595818901 399097925 /nfs/dbraw/zinc/09/79/25/399097925.db2.gz ZOWCNLIMCRSVLG-NSHDSACASA-N 1 2 309.797 2.911 20 30 DFEDLO C=C[C@@H]([NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12)C(=O)OC ZINC000600614032 399099513 /nfs/dbraw/zinc/09/95/13/399099513.db2.gz FUSHAQFMXGNNMJ-CYBMUJFWSA-N 1 2 310.756 2.820 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(C(C)(C)C)nc2)n1 ZINC000284451383 335012831 /nfs/dbraw/zinc/01/28/31/335012831.db2.gz UIEXRSBUFSRHDF-UHFFFAOYSA-N 1 2 311.433 2.626 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(C(C)(C)C)nc2)n1 ZINC000284451383 335012832 /nfs/dbraw/zinc/01/28/32/335012832.db2.gz UIEXRSBUFSRHDF-UHFFFAOYSA-N 1 2 311.433 2.626 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834531 399105643 /nfs/dbraw/zinc/10/56/43/399105643.db2.gz LUVBMUOWOXSRKW-WBMJQRKESA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834531 399105647 /nfs/dbraw/zinc/10/56/47/399105647.db2.gz LUVBMUOWOXSRKW-WBMJQRKESA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@]1(C#N)CCN(Cc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000595839591 399107674 /nfs/dbraw/zinc/10/76/74/399107674.db2.gz JUKNIZUFIUVZSA-CQSZACIVSA-N 1 2 319.206 2.832 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@]1(C)CO ZINC000595859802 399114791 /nfs/dbraw/zinc/11/47/91/399114791.db2.gz CDGJONRBXPLBRK-IAQYHMDHSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@]1(C)CO ZINC000595859802 399114793 /nfs/dbraw/zinc/11/47/93/399114793.db2.gz CDGJONRBXPLBRK-IAQYHMDHSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000595859801 399114915 /nfs/dbraw/zinc/11/49/15/399114915.db2.gz CDGJONRBXPLBRK-ABAIWWIYSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000595859801 399114918 /nfs/dbraw/zinc/11/49/18/399114918.db2.gz CDGJONRBXPLBRK-ABAIWWIYSA-N 1 2 323.234 2.771 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677513 399115801 /nfs/dbraw/zinc/11/58/01/399115801.db2.gz FSYXXNSKPGIECG-UHFFFAOYSA-N 1 2 324.428 2.896 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599948723 399115952 /nfs/dbraw/zinc/11/59/52/399115952.db2.gz SDNMAFDKSCQGJC-IAGOWNOFSA-N 1 2 322.412 2.697 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340193610 284157632 /nfs/dbraw/zinc/15/76/32/284157632.db2.gz ZSVQZIGXRHLNCU-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340193610 284157634 /nfs/dbraw/zinc/15/76/34/284157634.db2.gz ZSVQZIGXRHLNCU-UONOGXRCSA-N 1 2 316.298 2.975 20 30 DFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000093364139 193240160 /nfs/dbraw/zinc/24/01/60/193240160.db2.gz CTNIWIYHCJRIEO-UHFFFAOYSA-N 1 2 312.369 2.759 20 30 DFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000093364139 193240162 /nfs/dbraw/zinc/24/01/62/193240162.db2.gz CTNIWIYHCJRIEO-UHFFFAOYSA-N 1 2 312.369 2.759 20 30 DFEDLO Cc1[nH+]cn(-c2ccc(NC[C@H](O)CC3(C#N)CC3)cc2)c1C ZINC000600736516 399130082 /nfs/dbraw/zinc/13/00/82/399130082.db2.gz BATWKGVPWAVXFT-QGZVFWFLSA-N 1 2 310.401 2.956 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600112995 399140621 /nfs/dbraw/zinc/14/06/21/399140621.db2.gz WFYKQUJJZXYOTG-UHFFFAOYSA-N 1 2 308.385 2.746 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264649972 204053919 /nfs/dbraw/zinc/05/39/19/204053919.db2.gz OSRFWMDGJBLRPR-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264649972 204053921 /nfs/dbraw/zinc/05/39/21/204053921.db2.gz OSRFWMDGJBLRPR-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)cc1C#N ZINC000600793978 399148952 /nfs/dbraw/zinc/14/89/52/399148952.db2.gz QMLNVXWVSZCQIW-INIZCTEOSA-N 1 2 320.396 2.630 20 30 DFEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000183816713 399155042 /nfs/dbraw/zinc/15/50/42/399155042.db2.gz RCVXEPBZBOZRBZ-SNVBAGLBSA-N 1 2 301.371 2.788 20 30 DFEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183821875 399155200 /nfs/dbraw/zinc/15/52/00/399155200.db2.gz QFCJKFHCNKFISY-SNVBAGLBSA-N 1 2 302.359 2.968 20 30 DFEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000183838947 399156210 /nfs/dbraw/zinc/15/62/10/399156210.db2.gz ZTWDXFREBJPCRH-NSHDSACASA-N 1 2 319.206 2.884 20 30 DFEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnnn1-c1ccccc1 ZINC000184803386 399158251 /nfs/dbraw/zinc/15/82/51/399158251.db2.gz VZDCXWHVNYRFID-AWEZNQCLSA-N 1 2 321.359 2.504 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000618577377 399167153 /nfs/dbraw/zinc/16/71/53/399167153.db2.gz BJYLCROJBNLNBG-CZUORRHYSA-N 1 2 313.380 2.637 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168168 399167846 /nfs/dbraw/zinc/16/78/46/399167846.db2.gz WDFAIHWAONLUDV-YPENRWOSSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168168 399167850 /nfs/dbraw/zinc/16/78/50/399167850.db2.gz WDFAIHWAONLUDV-YPENRWOSSA-N 1 2 304.459 2.829 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761285 335016926 /nfs/dbraw/zinc/01/69/26/335016926.db2.gz KDKLITBJIPZJKJ-RCCFBDPRSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000284761285 335016928 /nfs/dbraw/zinc/01/69/28/335016928.db2.gz KDKLITBJIPZJKJ-RCCFBDPRSA-N 1 2 319.832 2.553 20 30 DFEDLO C=C(Br)CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284739265 335016605 /nfs/dbraw/zinc/01/66/05/335016605.db2.gz KQMGCEAZZYDITQ-HNNXBMFYSA-N 1 2 309.251 2.754 20 30 DFEDLO C=C(Br)CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284739265 335016606 /nfs/dbraw/zinc/01/66/06/335016606.db2.gz KQMGCEAZZYDITQ-HNNXBMFYSA-N 1 2 309.251 2.754 20 30 DFEDLO CCOC(=O)[C@]1([NH2+]CCCSCC#N)CCc2ccccc21 ZINC000080737784 399175228 /nfs/dbraw/zinc/17/52/28/399175228.db2.gz DUMOKBOFNPJVQH-KRWDZBQOSA-N 1 2 318.442 2.628 20 30 DFEDLO CCc1nc(C#N)cc(N2CCCC[C@@H]2c2c[nH+]cn2CC)n1 ZINC000596105216 399175227 /nfs/dbraw/zinc/17/52/27/399175227.db2.gz HDFUOEJKIHAGLE-CQSZACIVSA-N 1 2 310.405 2.859 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596111937 399177350 /nfs/dbraw/zinc/17/73/50/399177350.db2.gz DVJWQXCXOQXDBD-HNNXBMFYSA-N 1 2 304.357 2.539 20 30 DFEDLO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000271708097 209143623 /nfs/dbraw/zinc/14/36/23/209143623.db2.gz IMZHMCKZHXXCFL-LBPRGKRZSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)(C)C ZINC000601023537 399204759 /nfs/dbraw/zinc/20/47/59/399204759.db2.gz JADYCHGKSBAJQM-INIZCTEOSA-N 1 2 323.481 2.523 20 30 DFEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000192053722 335023226 /nfs/dbraw/zinc/02/32/26/335023226.db2.gz ZUAHRGPUIHCNEF-UHFFFAOYSA-N 1 2 304.821 2.788 20 30 DFEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000614407724 399228013 /nfs/dbraw/zinc/22/80/13/399228013.db2.gz XXICSMNHDYJEND-MRXNPFEDSA-N 1 2 302.324 2.968 20 30 DFEDLO Cc1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000267356176 206007193 /nfs/dbraw/zinc/00/71/93/206007193.db2.gz HGACIODDZJFNCQ-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000064795518 399231876 /nfs/dbraw/zinc/23/18/76/399231876.db2.gz MWXZPOHLXTVLJY-KGLIPLIRSA-N 1 2 305.447 2.743 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000064795518 399231880 /nfs/dbraw/zinc/23/18/80/399231880.db2.gz MWXZPOHLXTVLJY-KGLIPLIRSA-N 1 2 305.447 2.743 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267696823 206224154 /nfs/dbraw/zinc/22/41/54/206224154.db2.gz ZEJFALNCPZIZCI-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285829265 335029953 /nfs/dbraw/zinc/02/99/53/335029953.db2.gz VXCZTEBCOZIUTB-NEPJUHHUSA-N 1 2 309.360 2.600 20 30 DFEDLO Cc1nc(C)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000618903878 399255612 /nfs/dbraw/zinc/25/56/12/399255612.db2.gz XMPBGUCAOAKJNH-UHFFFAOYSA-N 1 2 314.364 2.624 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]1c1ccco1 ZINC000601210712 399255685 /nfs/dbraw/zinc/25/56/85/399255685.db2.gz SJKSUFXMEVALFM-AWEZNQCLSA-N 1 2 322.372 2.920 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000618903960 399255722 /nfs/dbraw/zinc/25/57/22/399255722.db2.gz YHOROEDSFBCBAO-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO COc1ccc(Cl)cc1[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601315936 399275600 /nfs/dbraw/zinc/27/56/00/399275600.db2.gz QDVBJWWBCDKEHK-ZDUSSCGKSA-N 1 2 307.825 2.941 20 30 DFEDLO N#Cc1cccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000101862888 193844958 /nfs/dbraw/zinc/84/49/58/193844958.db2.gz VACKFLNGPYPVPO-SNAWJCMRSA-N 1 2 306.369 2.632 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784730 399295441 /nfs/dbraw/zinc/29/54/41/399295441.db2.gz PFRZMFOSERBXIV-WDEREUQCSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608784730 399295445 /nfs/dbraw/zinc/29/54/45/399295445.db2.gz PFRZMFOSERBXIV-WDEREUQCSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(O)c1 ZINC000609115223 399304154 /nfs/dbraw/zinc/30/41/54/399304154.db2.gz POIPZEMMHVGMOV-LLVKDONJSA-N 1 2 308.345 2.619 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601667192 399317691 /nfs/dbraw/zinc/31/76/91/399317691.db2.gz SSZPYTMOSOSADO-MRXNPFEDSA-N 1 2 308.385 2.567 20 30 DFEDLO C[C@H](c1cccs1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609585691 399325100 /nfs/dbraw/zinc/32/51/00/399325100.db2.gz XUIDTZILKSIHOW-LLVKDONJSA-N 1 2 312.402 2.999 20 30 DFEDLO N#Cc1ccc(SCC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609619363 399326340 /nfs/dbraw/zinc/32/63/40/399326340.db2.gz BNPKYMJPLYLBFR-UHFFFAOYSA-N 1 2 308.366 2.937 20 30 DFEDLO C=CCCCC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286916522 335037710 /nfs/dbraw/zinc/03/77/10/335037710.db2.gz PVONGQFBNLMIMX-INIZCTEOSA-N 1 2 305.422 2.843 20 30 DFEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286728423 335039427 /nfs/dbraw/zinc/03/94/27/335039427.db2.gz GQMCRWIREDLINU-KRWDZBQOSA-N 1 2 317.433 2.681 20 30 DFEDLO C#CC[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000274125801 211378317 /nfs/dbraw/zinc/37/83/17/211378317.db2.gz HMLYIIFTTCKIPN-UHFFFAOYSA-N 1 2 312.442 2.750 20 30 DFEDLO C#CC[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000274125801 211378320 /nfs/dbraw/zinc/37/83/20/211378320.db2.gz HMLYIIFTTCKIPN-UHFFFAOYSA-N 1 2 312.442 2.750 20 30 DFEDLO N#Cc1cccc(NC(=O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000609850357 399333808 /nfs/dbraw/zinc/33/38/08/399333808.db2.gz SYJOCZLIZRRSFH-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004006 399338599 /nfs/dbraw/zinc/33/85/99/399338599.db2.gz YAYKGBWFDJJAKJ-UGSOOPFHSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004006 399338601 /nfs/dbraw/zinc/33/86/01/399338601.db2.gz YAYKGBWFDJJAKJ-UGSOOPFHSA-N 1 2 317.408 2.799 20 30 DFEDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000610002266 399338691 /nfs/dbraw/zinc/33/86/91/399338691.db2.gz VEDXMHVKWOFFFT-OCCSQVGLSA-N 1 2 319.405 2.596 20 30 DFEDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000610002266 399338695 /nfs/dbraw/zinc/33/86/95/399338695.db2.gz VEDXMHVKWOFFFT-OCCSQVGLSA-N 1 2 319.405 2.596 20 30 DFEDLO COC(=O)c1ccc(C[NH2+][C@@H](C)CC#N)c(Br)c1 ZINC000615464571 399340694 /nfs/dbraw/zinc/34/06/94/399340694.db2.gz BSEWQUPUWZVCSZ-VIFPVBQESA-N 1 2 311.179 2.627 20 30 DFEDLO N#Cc1ccc(CN(c2cc(-n3cc[nH+]c3)ncn2)C2CC2)cc1 ZINC000610130927 399343843 /nfs/dbraw/zinc/34/38/43/399343843.db2.gz OFNLZPDEOSQZBC-UHFFFAOYSA-N 1 2 316.368 2.703 20 30 DFEDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000601819518 399343075 /nfs/dbraw/zinc/34/30/75/399343075.db2.gz JDELNSZKTQKUJS-DLBZAZTESA-N 1 2 308.385 2.696 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000284657396 218117884 /nfs/dbraw/zinc/11/78/84/218117884.db2.gz DAMXPZGBLXFQBV-BPQIPLTHSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000284657396 218117886 /nfs/dbraw/zinc/11/78/86/218117886.db2.gz DAMXPZGBLXFQBV-BPQIPLTHSA-N 1 2 318.392 2.713 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615531631 399348889 /nfs/dbraw/zinc/34/88/89/399348889.db2.gz NMIQPEZOSAHEIK-INIZCTEOSA-N 1 2 313.336 2.557 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCC(F)(F)C1 ZINC000619527765 399357527 /nfs/dbraw/zinc/35/75/27/399357527.db2.gz OZXNHKXBGRWKRM-SNVBAGLBSA-N 1 2 306.320 2.587 20 30 DFEDLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610349574 399359462 /nfs/dbraw/zinc/35/94/62/399359462.db2.gz GWVBTZYNRMIIKU-CQSZACIVSA-N 1 2 311.389 2.595 20 30 DFEDLO C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610357386 399360405 /nfs/dbraw/zinc/36/04/05/399360405.db2.gz LWGBHXUXNPHZMY-CYBMUJFWSA-N 1 2 319.368 2.766 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610410471 399365136 /nfs/dbraw/zinc/36/51/36/399365136.db2.gz UGMZNDSUBZPBLV-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610410471 399365137 /nfs/dbraw/zinc/36/51/37/399365137.db2.gz UGMZNDSUBZPBLV-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO CCO[C@H](CCNc1[nH+]cnc2c1cnn2CCC#N)C(C)C ZINC000610431573 399367137 /nfs/dbraw/zinc/36/71/37/399367137.db2.gz OFXCJHVMZGHSKJ-CQSZACIVSA-N 1 2 316.409 2.603 20 30 DFEDLO C[C@@H]1c2ccccc2CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000610489324 399372495 /nfs/dbraw/zinc/37/24/95/399372495.db2.gz GCTKGZLGIDDTIA-CYBMUJFWSA-N 1 2 318.384 2.864 20 30 DFEDLO C[C@@H](CN(C)c1[nH+]cnc2c1cnn2CCC#N)C(C)(C)C ZINC000601980747 399373474 /nfs/dbraw/zinc/37/34/74/399373474.db2.gz ODWPBFWQJNZYFO-LBPRGKRZSA-N 1 2 300.410 2.858 20 30 DFEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000106529028 194224975 /nfs/dbraw/zinc/22/49/75/194224975.db2.gz JTEHCMSDFZYLDR-HNNXBMFYSA-N 1 2 309.373 2.718 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000619716963 399381408 /nfs/dbraw/zinc/38/14/08/399381408.db2.gz GEXVRIUMMXOUKX-KRWDZBQOSA-N 1 2 313.401 2.669 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000619716963 399381409 /nfs/dbraw/zinc/38/14/09/399381409.db2.gz GEXVRIUMMXOUKX-KRWDZBQOSA-N 1 2 313.401 2.669 20 30 DFEDLO C=CC(C)(C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000623410832 399382750 /nfs/dbraw/zinc/38/27/50/399382750.db2.gz HNZVRAFIQYQMBB-UHFFFAOYSA-N 1 2 304.438 2.663 20 30 DFEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000619718267 399382164 /nfs/dbraw/zinc/38/21/64/399382164.db2.gz DVXRQYWCSZYCEH-BBRMVZONSA-N 1 2 322.836 2.746 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000610582000 399382885 /nfs/dbraw/zinc/38/28/85/399382885.db2.gz GGJLBWGFOSKGGG-DOTOQJQBSA-N 1 2 310.353 2.855 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000610582000 399382889 /nfs/dbraw/zinc/38/28/89/399382889.db2.gz GGJLBWGFOSKGGG-DOTOQJQBSA-N 1 2 310.353 2.855 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2ccc3[nH+]ccn3c2)cc1Cl ZINC000619762851 399388966 /nfs/dbraw/zinc/38/89/66/399388966.db2.gz RRMSTXUVZOGKDW-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285354607 218395116 /nfs/dbraw/zinc/39/51/16/218395116.db2.gz AXNVTNUBSDZQGT-OAHLLOKOSA-N 1 2 319.380 2.750 20 30 DFEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000285354607 218395118 /nfs/dbraw/zinc/39/51/18/218395118.db2.gz AXNVTNUBSDZQGT-OAHLLOKOSA-N 1 2 319.380 2.750 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602055365 399390131 /nfs/dbraw/zinc/39/01/31/399390131.db2.gz ZLYKKTCNFNPISB-CYBMUJFWSA-N 1 2 322.290 2.565 20 30 DFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602104211 399395580 /nfs/dbraw/zinc/39/55/80/399395580.db2.gz ZGOSEQLQIJWXLZ-FZKQIMNGSA-N 1 2 324.384 2.780 20 30 DFEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccnc(C#N)c2)c1C ZINC000610991584 399426254 /nfs/dbraw/zinc/42/62/54/399426254.db2.gz LCFRSFPBCCDOOK-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccnc(C#N)c2)c1C ZINC000610991584 399426256 /nfs/dbraw/zinc/42/62/56/399426256.db2.gz LCFRSFPBCCDOOK-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610993872 399426266 /nfs/dbraw/zinc/42/62/66/399426266.db2.gz LTTOVHQVYAEXEM-UHFFFAOYSA-N 1 2 317.396 2.830 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)ccn1 ZINC000611074398 399432288 /nfs/dbraw/zinc/43/22/88/399432288.db2.gz MVWXQBWHIGWDRO-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)ccn1 ZINC000611074398 399432290 /nfs/dbraw/zinc/43/22/90/399432290.db2.gz MVWXQBWHIGWDRO-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H](c1cccnc1)C1CC1 ZINC000611144029 399438946 /nfs/dbraw/zinc/43/89/46/399438946.db2.gz BOCRMLDDIRHEMD-HNNXBMFYSA-N 1 2 319.372 2.698 20 30 DFEDLO C=CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602449882 399448058 /nfs/dbraw/zinc/44/80/58/399448058.db2.gz SVAAYAFKPIYTMT-UHFFFAOYSA-N 1 2 316.361 2.525 20 30 DFEDLO C=CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602449882 399448059 /nfs/dbraw/zinc/44/80/59/399448059.db2.gz SVAAYAFKPIYTMT-UHFFFAOYSA-N 1 2 316.361 2.525 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(C)c1N(C)C ZINC000611268803 399454305 /nfs/dbraw/zinc/45/43/05/399454305.db2.gz DUDHOQUVDJNMPT-UHFFFAOYSA-N 1 2 305.470 2.946 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(C)c1N(C)C ZINC000611268803 399454306 /nfs/dbraw/zinc/45/43/06/399454306.db2.gz DUDHOQUVDJNMPT-UHFFFAOYSA-N 1 2 305.470 2.946 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000287363655 335045636 /nfs/dbraw/zinc/04/56/36/335045636.db2.gz IGDQITXHEFEHTQ-UKRRQHHQSA-N 1 2 320.437 2.635 20 30 DFEDLO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1F ZINC000611502119 399483168 /nfs/dbraw/zinc/48/31/68/399483168.db2.gz NQRRRAGWGXLXLC-HOCLYGCPSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1F ZINC000611502119 399483170 /nfs/dbraw/zinc/48/31/70/399483170.db2.gz NQRRRAGWGXLXLC-HOCLYGCPSA-N 1 2 303.381 2.613 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000602605703 399488632 /nfs/dbraw/zinc/48/86/32/399488632.db2.gz KKCVTLCKFVMIED-UHFFFAOYSA-N 1 2 318.421 2.501 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(C#N)cc1F ZINC000611586107 399497252 /nfs/dbraw/zinc/49/72/52/399497252.db2.gz AGOFLUBNNXMXRS-GFCCVEGCSA-N 1 2 313.380 2.866 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602643971 399501018 /nfs/dbraw/zinc/50/10/18/399501018.db2.gz IYEHLBGOHJZACT-XJFOESAGSA-N 1 2 309.431 2.574 20 30 DFEDLO C[C@H]1CC[C@@]2(CCN(c3[nH+]cnc4c3cnn4CCC#N)C2)C1 ZINC000611618073 399499516 /nfs/dbraw/zinc/49/95/16/399499516.db2.gz LOTAXERQKVGACQ-SUMWQHHRSA-N 1 2 310.405 2.756 20 30 DFEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602651497 399502781 /nfs/dbraw/zinc/50/27/81/399502781.db2.gz IKQRSNIGSIXIED-QGZVFWFLSA-N 1 2 321.428 2.824 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)n1 ZINC000602652336 399502828 /nfs/dbraw/zinc/50/28/28/399502828.db2.gz XEQMWQMAQGROOA-UHFFFAOYSA-N 1 2 310.376 2.982 20 30 DFEDLO COc1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000602650637 399503310 /nfs/dbraw/zinc/50/33/10/399503310.db2.gz DZTMWPBAWNENAP-UHFFFAOYSA-N 1 2 314.414 2.604 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119660054 195011957 /nfs/dbraw/zinc/01/19/57/195011957.db2.gz YQWAYDOZPQUSLB-IRXDYDNUSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119660054 195011959 /nfs/dbraw/zinc/01/19/59/195011959.db2.gz YQWAYDOZPQUSLB-IRXDYDNUSA-N 1 2 316.401 2.519 20 30 DFEDLO Cc1cccn2cc(CCNc3nc4ccccn4c3C#N)[nH+]c12 ZINC000611755325 399519243 /nfs/dbraw/zinc/51/92/43/399519243.db2.gz VTEYHXYAFQEYTK-UHFFFAOYSA-N 1 2 316.368 2.817 20 30 DFEDLO N#Cc1ccncc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000269966831 208019484 /nfs/dbraw/zinc/01/94/84/208019484.db2.gz NIWRDDBGTWMGIK-HNNXBMFYSA-N 1 2 314.414 2.500 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)[C@H]1C(=O)OC(C)(C)C ZINC000602693106 399522749 /nfs/dbraw/zinc/52/27/49/399522749.db2.gz QIDCABCWFBVXOZ-CZUORRHYSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)[C@H]1C(=O)OC(C)(C)C ZINC000602693106 399522753 /nfs/dbraw/zinc/52/27/53/399522753.db2.gz QIDCABCWFBVXOZ-CZUORRHYSA-N 1 2 315.417 2.895 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000602708547 399532305 /nfs/dbraw/zinc/53/23/05/399532305.db2.gz POYPLYQIJNHOGS-UHFFFAOYSA-N 1 2 316.405 2.663 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccn(C(F)F)c1=O)C2 ZINC000602711420 399534124 /nfs/dbraw/zinc/53/41/24/399534124.db2.gz QIDAQVGHSPWHIT-UHFFFAOYSA-N 1 2 301.296 2.631 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccn(C(F)F)c1=O)C2 ZINC000602711420 399534127 /nfs/dbraw/zinc/53/41/27/399534127.db2.gz QIDAQVGHSPWHIT-UHFFFAOYSA-N 1 2 301.296 2.631 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000602727897 399543480 /nfs/dbraw/zinc/54/34/80/399543480.db2.gz XZHDHQLHHNTUEU-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO C=C(C)C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(=O)OC ZINC000602733336 399547182 /nfs/dbraw/zinc/54/71/82/399547182.db2.gz HGVHPKGPJIULFB-MRXNPFEDSA-N 1 2 303.402 2.652 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)C(=O)OC ZINC000602735440 399548271 /nfs/dbraw/zinc/54/82/71/399548271.db2.gz XFUCIEVTYTUOLD-DOTOQJQBSA-N 1 2 303.402 2.650 20 30 DFEDLO C=CCC[C@H](CCC)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624082971 399547422 /nfs/dbraw/zinc/54/74/22/399547422.db2.gz YGHZGBCCUIBLEA-AWEZNQCLSA-N 1 2 301.438 2.968 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)C(=O)OC ZINC000602735630 399548072 /nfs/dbraw/zinc/54/80/72/399548072.db2.gz YSXQSNVMMGECCQ-ZBFHGGJFSA-N 1 2 318.417 2.810 20 30 DFEDLO Cc1ccc2[nH+]cc(CN(CCC#N)Cc3cccnc3)n2c1 ZINC000159080053 197325221 /nfs/dbraw/zinc/32/52/21/197325221.db2.gz IMJLPAYASXJXDR-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000120230169 195124611 /nfs/dbraw/zinc/12/46/11/195124611.db2.gz SBUCOQZPGXEZOG-HOCLYGCPSA-N 1 2 315.417 2.632 20 30 DFEDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000120230169 195124614 /nfs/dbraw/zinc/12/46/14/195124614.db2.gz SBUCOQZPGXEZOG-HOCLYGCPSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158461050 197273668 /nfs/dbraw/zinc/27/36/68/197273668.db2.gz KGSUERPYWDVJND-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(CCCC2)C1 ZINC000158461050 197273671 /nfs/dbraw/zinc/27/36/71/197273671.db2.gz KGSUERPYWDVJND-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C=CCCCCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000287995623 335050917 /nfs/dbraw/zinc/05/09/17/335050917.db2.gz KJHAOFLHFAACHG-UHFFFAOYSA-N 1 2 303.406 2.890 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602799203 399579814 /nfs/dbraw/zinc/57/98/14/399579814.db2.gz BQPZEBUNZFQDJI-GFCCVEGCSA-N 1 2 304.346 2.846 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602799203 399579817 /nfs/dbraw/zinc/57/98/17/399579817.db2.gz BQPZEBUNZFQDJI-GFCCVEGCSA-N 1 2 304.346 2.846 20 30 DFEDLO C=CCN(C(=O)NCc1ccc(N(CC)CC)[nH+]c1)C1CC1 ZINC000271386059 208869137 /nfs/dbraw/zinc/86/91/37/208869137.db2.gz JBWKAKNWSVOIQX-UHFFFAOYSA-N 1 2 302.422 2.788 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162204 399595493 /nfs/dbraw/zinc/59/54/93/399595493.db2.gz LIEWYVYHFJALAZ-QMTMVMCOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162204 399595500 /nfs/dbraw/zinc/59/55/00/399595500.db2.gz LIEWYVYHFJALAZ-QMTMVMCOSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167213 399598147 /nfs/dbraw/zinc/59/81/47/399598147.db2.gz WPPAZACKIUAEHJ-CXAGYDPISA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167213 399598149 /nfs/dbraw/zinc/59/81/49/399598149.db2.gz WPPAZACKIUAEHJ-CXAGYDPISA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167215 399598201 /nfs/dbraw/zinc/59/82/01/399598201.db2.gz WPPAZACKIUAEHJ-GUYCJALGSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167215 399598204 /nfs/dbraw/zinc/59/82/04/399598204.db2.gz WPPAZACKIUAEHJ-GUYCJALGSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)N1CC#N ZINC000602850551 399602013 /nfs/dbraw/zinc/60/20/13/399602013.db2.gz QKBWZGGWJAGJIN-BETUJISGSA-N 1 2 302.809 2.630 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)N1CC#N ZINC000602850551 399602017 /nfs/dbraw/zinc/60/20/17/399602017.db2.gz QKBWZGGWJAGJIN-BETUJISGSA-N 1 2 302.809 2.630 20 30 DFEDLO C[C@H]1C[NH+](Cc2csc(-c3ccco3)n2)C[C@H](C)N1CC#N ZINC000602858237 399605907 /nfs/dbraw/zinc/60/59/07/399605907.db2.gz QKWXUDXETOPNAL-STQMWFEESA-N 1 2 316.430 2.821 20 30 DFEDLO COc1ccc(C[NH2+][C@H](C)CC#N)c(Br)c1OC ZINC000602862892 399607965 /nfs/dbraw/zinc/60/79/65/399607965.db2.gz MLLWNMHDIQFMLA-SECBINFHSA-N 1 2 313.195 2.858 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000602868006 399609007 /nfs/dbraw/zinc/60/90/07/399609007.db2.gz GWBAZQKUCNIVEV-RYUDHWBXSA-N 1 2 316.430 2.535 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602868148 399608550 /nfs/dbraw/zinc/60/85/50/399608550.db2.gz HHNZRRLEORDRJX-MNOVXSKESA-N 1 2 309.797 2.876 20 30 DFEDLO CCc1nnc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602908043 399622318 /nfs/dbraw/zinc/62/23/18/399622318.db2.gz YCFFJGYVSREPQE-LBPRGKRZSA-N 1 2 310.405 2.574 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289818928 221246905 /nfs/dbraw/zinc/24/69/05/221246905.db2.gz NZAIIDIXXKXQPK-NEPJUHHUSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289818928 221246906 /nfs/dbraw/zinc/24/69/06/221246906.db2.gz NZAIIDIXXKXQPK-NEPJUHHUSA-N 1 2 307.344 2.862 20 30 DFEDLO C#Cc1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000289023816 335059767 /nfs/dbraw/zinc/05/97/67/335059767.db2.gz AWMODPSMNRCZHL-KRWDZBQOSA-N 1 2 305.425 2.942 20 30 DFEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000603006051 399656807 /nfs/dbraw/zinc/65/68/07/399656807.db2.gz VTLDFFYSIWHVDE-MRXNPFEDSA-N 1 2 308.422 2.505 20 30 DFEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000603006051 399656809 /nfs/dbraw/zinc/65/68/09/399656809.db2.gz VTLDFFYSIWHVDE-MRXNPFEDSA-N 1 2 308.422 2.505 20 30 DFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC3(C#N)CC3)ccc21 ZINC000603020226 399659571 /nfs/dbraw/zinc/65/95/71/399659571.db2.gz DIZADFUKZIIXQY-UHFFFAOYSA-N 1 2 309.373 2.726 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)c1C#N ZINC000603028912 399660757 /nfs/dbraw/zinc/66/07/57/399660757.db2.gz IDUZFOADYHTIAV-GOEBONIOSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)c1C#N ZINC000603028912 399660758 /nfs/dbraw/zinc/66/07/58/399660758.db2.gz IDUZFOADYHTIAV-GOEBONIOSA-N 1 2 324.428 2.645 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000612529954 399670819 /nfs/dbraw/zinc/67/08/19/399670819.db2.gz FVCBNSVFPKFMIF-CYBMUJFWSA-N 1 2 319.368 2.778 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000289193467 335060794 /nfs/dbraw/zinc/06/07/94/335060794.db2.gz AXKNKMKAAMWBBR-VPKVUBIPSA-N 1 2 319.470 2.820 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000289193467 335060795 /nfs/dbraw/zinc/06/07/95/335060795.db2.gz AXKNKMKAAMWBBR-VPKVUBIPSA-N 1 2 319.470 2.820 20 30 DFEDLO C=CCCC1(CNC(=O)C(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000617418168 399696877 /nfs/dbraw/zinc/69/68/77/399696877.db2.gz VJECSTKSDXMSFE-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCCSCc2ccccc2)nn1 ZINC000603219248 399713575 /nfs/dbraw/zinc/71/35/75/399713575.db2.gz SOUOQQKTAASEQT-UHFFFAOYSA-N 1 2 314.458 2.715 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cscc3Cl)CC2)n1 ZINC000612855068 399738983 /nfs/dbraw/zinc/73/89/83/399738983.db2.gz GHCMZJYRXFBKMS-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C#C[C@@H](C)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000289513948 335063917 /nfs/dbraw/zinc/06/39/17/335063917.db2.gz OWKZCEJXPHMGLJ-GFCCVEGCSA-N 1 2 302.399 2.842 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632840516 399757685 /nfs/dbraw/zinc/75/76/85/399757685.db2.gz FBJNIKJDCAWJEY-WBVHZDCISA-N 1 2 311.385 2.788 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)C1 ZINC000617779538 399797807 /nfs/dbraw/zinc/79/78/07/399797807.db2.gz CJCCQIMTGGHZRV-ZACQAIPSSA-N 1 2 308.466 2.691 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)C1 ZINC000617779538 399797813 /nfs/dbraw/zinc/79/78/13/399797813.db2.gz CJCCQIMTGGHZRV-ZACQAIPSSA-N 1 2 308.466 2.691 20 30 DFEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000603925912 399817739 /nfs/dbraw/zinc/81/77/39/399817739.db2.gz PRTXEZDPLQLLRV-SFHVURJKSA-N 1 2 317.408 2.846 20 30 DFEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000603925912 399817743 /nfs/dbraw/zinc/81/77/43/399817743.db2.gz PRTXEZDPLQLLRV-SFHVURJKSA-N 1 2 317.408 2.846 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)ccc2[nH+]1 ZINC000328754162 543097391 /nfs/dbraw/zinc/09/73/91/543097391.db2.gz DQOSNTZEAIMRAD-AWEZNQCLSA-N 1 2 314.389 2.878 20 30 DFEDLO C[C@@H](CNC(=O)Nc1cccc2ccsc21)[NH+]1CCOCC1 ZINC000328837166 543098091 /nfs/dbraw/zinc/09/80/91/543098091.db2.gz SUYLDSJTNATWSW-LBPRGKRZSA-N 1 2 319.430 2.948 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000604552252 399854855 /nfs/dbraw/zinc/85/48/55/399854855.db2.gz XHMFGYMYQQSSFP-XJKSGUPXSA-N 1 2 320.462 2.643 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000604552252 399854857 /nfs/dbraw/zinc/85/48/57/399854857.db2.gz XHMFGYMYQQSSFP-XJKSGUPXSA-N 1 2 320.462 2.643 20 30 DFEDLO C[C@H](Cc1cccs1)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558476 399856440 /nfs/dbraw/zinc/85/64/40/399856440.db2.gz GCAPPHZUYYLKKL-LLVKDONJSA-N 1 2 312.402 2.845 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350361890 543204147 /nfs/dbraw/zinc/20/41/47/543204147.db2.gz UVVPZYHDWVUOTG-RDBSUJKOSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350361890 543204149 /nfs/dbraw/zinc/20/41/49/543204149.db2.gz UVVPZYHDWVUOTG-RDBSUJKOSA-N 1 2 307.394 2.649 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000630616777 399910605 /nfs/dbraw/zinc/91/06/05/399910605.db2.gz RGWRTHOPWVWESC-KRWDZBQOSA-N 1 2 314.820 2.970 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000633525816 399914182 /nfs/dbraw/zinc/91/41/82/399914182.db2.gz JAGBNIDONLKEER-UHFFFAOYSA-N 1 2 315.417 2.569 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](CCF)C2)cc(OC)c1O ZINC000628458450 400033208 /nfs/dbraw/zinc/03/32/08/400033208.db2.gz RTAAWFYWJSLKME-OAHLLOKOSA-N 1 2 309.381 2.690 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCO[C@H](CCF)C2)cc(OC)c1O ZINC000628458450 400033209 /nfs/dbraw/zinc/03/32/09/400033209.db2.gz RTAAWFYWJSLKME-OAHLLOKOSA-N 1 2 309.381 2.690 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246119425 146121605 /nfs/dbraw/zinc/12/16/05/146121605.db2.gz LBGMZIORWJBWEK-OLZOCXBDSA-N 1 2 321.471 2.918 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246119425 146121609 /nfs/dbraw/zinc/12/16/09/146121609.db2.gz LBGMZIORWJBWEK-OLZOCXBDSA-N 1 2 321.471 2.918 20 30 DFEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)ccc1C(F)(F)F ZINC000355415227 147307054 /nfs/dbraw/zinc/30/70/54/147307054.db2.gz OXQDZPUWKGIZPN-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)ccc1C(F)(F)F ZINC000355415227 147307059 /nfs/dbraw/zinc/30/70/59/147307059.db2.gz OXQDZPUWKGIZPN-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO Cn1ncc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1C#N ZINC000355451083 147321872 /nfs/dbraw/zinc/32/18/72/147321872.db2.gz ARSKVXONZPJCKA-UHFFFAOYSA-N 1 2 319.324 2.731 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361526703 149139624 /nfs/dbraw/zinc/13/96/24/149139624.db2.gz PXDUXZBQKPPHNR-QGZVFWFLSA-N 1 2 320.820 2.982 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361526703 149139625 /nfs/dbraw/zinc/13/96/25/149139625.db2.gz PXDUXZBQKPPHNR-QGZVFWFLSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361618423 149170418 /nfs/dbraw/zinc/17/04/18/149170418.db2.gz JVJXXZPORSTKAD-CXAGYDPISA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000361618423 149170420 /nfs/dbraw/zinc/17/04/20/149170420.db2.gz JVJXXZPORSTKAD-CXAGYDPISA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000362590461 149316896 /nfs/dbraw/zinc/31/68/96/149316896.db2.gz JFPANSJVJSMAME-ZDUSSCGKSA-N 1 2 312.417 2.546 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000362590461 149316899 /nfs/dbraw/zinc/31/68/99/149316899.db2.gz JFPANSJVJSMAME-ZDUSSCGKSA-N 1 2 312.417 2.546 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccncc1 ZINC000182876574 158009548 /nfs/dbraw/zinc/00/95/48/158009548.db2.gz FQEJMLXAFLSUDV-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000129145828 196023890 /nfs/dbraw/zinc/02/38/90/196023890.db2.gz RLMUNTDHIXIFLM-OAHLLOKOSA-N 1 2 309.373 2.760 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129214288 196029425 /nfs/dbraw/zinc/02/94/25/196029425.db2.gz SNWSGHKXNZKSOS-XFBWCDHKSA-N 1 2 323.387 2.974 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129214288 196029427 /nfs/dbraw/zinc/02/94/27/196029427.db2.gz SNWSGHKXNZKSOS-XFBWCDHKSA-N 1 2 323.387 2.974 20 30 DFEDLO CCN(CC)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])c[nH+]1 ZINC000133195064 196320208 /nfs/dbraw/zinc/32/02/08/196320208.db2.gz PTHPJGVVXALWTG-UHFFFAOYSA-N 1 2 312.333 2.846 20 30 DFEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000669934423 544009137 /nfs/dbraw/zinc/00/91/37/544009137.db2.gz ZWUVKWDGMDYCFO-KRWDZBQOSA-N 1 2 312.413 2.668 20 30 DFEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000669934423 544009141 /nfs/dbraw/zinc/00/91/41/544009141.db2.gz ZWUVKWDGMDYCFO-KRWDZBQOSA-N 1 2 312.413 2.668 20 30 DFEDLO C=CCC[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)C1CC1 ZINC000291312937 335080505 /nfs/dbraw/zinc/08/05/05/335080505.db2.gz XYPXIMYXYYEECK-SFHVURJKSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CCC[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)C1CC1 ZINC000291312937 335080508 /nfs/dbraw/zinc/08/05/08/335080508.db2.gz XYPXIMYXYYEECK-SFHVURJKSA-N 1 2 313.445 2.775 20 30 DFEDLO COCC#CC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000677817806 544545650 /nfs/dbraw/zinc/54/56/50/544545650.db2.gz UPPVVALHRKIEJZ-OAHLLOKOSA-N 1 2 306.837 2.668 20 30 DFEDLO COCC#CC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000678047793 544588265 /nfs/dbraw/zinc/58/82/65/544588265.db2.gz AAUGRCOYONBWLS-LBPRGKRZSA-N 1 2 308.219 2.846 20 30 DFEDLO COCC#CC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000678047793 544588267 /nfs/dbraw/zinc/58/82/67/544588267.db2.gz AAUGRCOYONBWLS-LBPRGKRZSA-N 1 2 308.219 2.846 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000678049291 544588853 /nfs/dbraw/zinc/58/88/53/544588853.db2.gz GSAZUJVHVVFDHX-HUUCEWRRSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000678049291 544588856 /nfs/dbraw/zinc/58/88/56/544588856.db2.gz GSAZUJVHVVFDHX-HUUCEWRRSA-N 1 2 313.344 2.598 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000680104493 544958464 /nfs/dbraw/zinc/95/84/64/544958464.db2.gz LSNFYHAQEWUSAS-GOSISDBHSA-N 1 2 313.401 2.843 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000680104493 544958468 /nfs/dbraw/zinc/95/84/68/544958468.db2.gz LSNFYHAQEWUSAS-GOSISDBHSA-N 1 2 313.401 2.843 20 30 DFEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000680428249 545007598 /nfs/dbraw/zinc/00/75/98/545007598.db2.gz XKGWTQGVQQLPSM-SMDDNHRTSA-N 1 2 305.353 2.772 20 30 DFEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C#N)CC1 ZINC000057875712 425897082 /nfs/dbraw/zinc/89/70/82/425897082.db2.gz LXOWCTBNGZYKED-NSHDSACASA-N 1 2 314.414 2.859 20 30 DFEDLO N#Cc1ccc(NCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000064725022 425901917 /nfs/dbraw/zinc/90/19/17/425901917.db2.gz XKZWPDMXJGOQFQ-UHFFFAOYSA-N 1 2 317.352 2.795 20 30 DFEDLO Cc1c2c(nc(SCC[N@H+]3CCOC[C@@H]3C)c1C#N)CCC2 ZINC000412988969 269906767 /nfs/dbraw/zinc/90/67/67/269906767.db2.gz MPYDIPHCNHQGSB-LBPRGKRZSA-N 1 2 317.458 2.563 20 30 DFEDLO Cc1c2c(nc(SCC[N@@H+]3CCOC[C@@H]3C)c1C#N)CCC2 ZINC000412988969 269906768 /nfs/dbraw/zinc/90/67/68/269906768.db2.gz MPYDIPHCNHQGSB-LBPRGKRZSA-N 1 2 317.458 2.563 20 30 DFEDLO C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124560786 425926719 /nfs/dbraw/zinc/92/67/19/425926719.db2.gz UCEHSXGKZBQUJU-CRAIPNDOSA-N 1 2 322.412 2.797 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1F ZINC000069057249 425927611 /nfs/dbraw/zinc/92/76/11/425927611.db2.gz RKUBXVMGKJCPTC-AWEZNQCLSA-N 1 2 317.408 2.989 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1F ZINC000069057249 425927614 /nfs/dbraw/zinc/92/76/14/425927614.db2.gz RKUBXVMGKJCPTC-AWEZNQCLSA-N 1 2 317.408 2.989 20 30 DFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323185 264006355 /nfs/dbraw/zinc/00/63/55/264006355.db2.gz GEBYKCXMWHFHFO-OAHLLOKOSA-N 1 2 319.408 2.968 20 30 DFEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323185 264006356 /nfs/dbraw/zinc/00/63/56/264006356.db2.gz GEBYKCXMWHFHFO-OAHLLOKOSA-N 1 2 319.408 2.968 20 30 DFEDLO Cc1cc(N(C)Cc2ccccc2N2CCOCC2)c(C#N)c[nH+]1 ZINC000425204701 270000789 /nfs/dbraw/zinc/00/07/89/270000789.db2.gz UUHZFOSUWUUFBV-UHFFFAOYSA-N 1 2 322.412 2.735 20 30 DFEDLO CC(C)n1c[nH+]cc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000424168058 270000817 /nfs/dbraw/zinc/00/08/17/270000817.db2.gz HWBBLZUUDLFJAJ-UHFFFAOYSA-N 1 2 307.361 2.528 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227760 270001095 /nfs/dbraw/zinc/00/10/95/270001095.db2.gz SICPYMUUUDFMJQ-DZGCQCFKSA-N 1 2 314.433 2.783 20 30 DFEDLO N#Cc1cccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000450303500 270001325 /nfs/dbraw/zinc/00/13/25/270001325.db2.gz YMJWEDSRPSSPDX-CYBMUJFWSA-N 1 2 323.356 2.800 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C#N)[nH]c1C ZINC000451186208 270001337 /nfs/dbraw/zinc/00/13/37/270001337.db2.gz NTLHXSQCQAYSOQ-UHFFFAOYSA-N 1 2 313.405 2.506 20 30 DFEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000459604696 270001955 /nfs/dbraw/zinc/00/19/55/270001955.db2.gz CIWIPLINHLUVSJ-UHFFFAOYSA-N 1 2 322.364 2.593 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000533540422 270002793 /nfs/dbraw/zinc/00/27/93/270002793.db2.gz LWMGZZVPTPNEON-UHIISALHSA-N 1 2 315.442 2.920 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000533540422 270002794 /nfs/dbraw/zinc/00/27/94/270002794.db2.gz LWMGZZVPTPNEON-UHIISALHSA-N 1 2 315.442 2.920 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1C#N ZINC000534473765 270003126 /nfs/dbraw/zinc/00/31/26/270003126.db2.gz XYHWBZMXYFVAJT-RYUDHWBXSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1C#N ZINC000534473769 270003147 /nfs/dbraw/zinc/00/31/47/270003147.db2.gz XYHWBZMXYFVAJT-VXGBXAGGSA-N 1 2 304.415 2.671 20 30 DFEDLO N#Cc1cccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000069162641 425932259 /nfs/dbraw/zinc/93/22/59/425932259.db2.gz ADRNPNLEKYNREY-SFHVURJKSA-N 1 2 323.371 2.807 20 30 DFEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124767773 425937269 /nfs/dbraw/zinc/93/72/69/425937269.db2.gz XEYBVYDIGQUFCI-INIZCTEOSA-N 1 2 302.374 2.507 20 30 DFEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124767773 425937271 /nfs/dbraw/zinc/93/72/71/425937271.db2.gz XEYBVYDIGQUFCI-INIZCTEOSA-N 1 2 302.374 2.507 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)cs1 ZINC000348838777 266103109 /nfs/dbraw/zinc/10/31/09/266103109.db2.gz QUQYECXXLPGJGW-UHFFFAOYSA-N 1 2 305.447 2.844 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C#N)cs1 ZINC000348838777 266103114 /nfs/dbraw/zinc/10/31/14/266103114.db2.gz QUQYECXXLPGJGW-UHFFFAOYSA-N 1 2 305.447 2.844 20 30 DFEDLO CCO[C@H](C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000341961182 266300485 /nfs/dbraw/zinc/30/04/85/266300485.db2.gz BLZSXMNDOYWIHH-GFCCVEGCSA-N 1 2 312.373 2.818 20 30 DFEDLO CC[C@@H](C)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC ZINC000348015987 266365549 /nfs/dbraw/zinc/36/55/49/266365549.db2.gz UNDHWRHSAVHLFT-CZUORRHYSA-N 1 2 304.390 2.504 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H](O)C(F)(F)F ZINC000439429530 267069218 /nfs/dbraw/zinc/06/92/18/267069218.db2.gz HZTPOMCSDNRASO-LBPRGKRZSA-N 1 2 306.715 2.957 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H](O)C(F)(F)F ZINC000439429530 267069221 /nfs/dbraw/zinc/06/92/21/267069221.db2.gz HZTPOMCSDNRASO-LBPRGKRZSA-N 1 2 306.715 2.957 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000442801787 267118044 /nfs/dbraw/zinc/11/80/44/267118044.db2.gz PNLBOYOFHNSRTD-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000442801787 267118046 /nfs/dbraw/zinc/11/80/46/267118046.db2.gz PNLBOYOFHNSRTD-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000492498922 267256115 /nfs/dbraw/zinc/25/61/15/267256115.db2.gz HVVVHGMWWXJRFU-KTKRTIGZSA-N 1 2 320.396 2.979 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000459053120 267257971 /nfs/dbraw/zinc/25/79/71/267257971.db2.gz HAQBSXSLGCNOOX-CYBMUJFWSA-N 1 2 323.400 2.824 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000457790228 267259014 /nfs/dbraw/zinc/25/90/14/267259014.db2.gz SWHFBFULWFAARP-MRXNPFEDSA-N 1 2 323.400 2.846 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)CCc2ccc(C#N)cc2)n1 ZINC000457287274 267284420 /nfs/dbraw/zinc/28/44/20/267284420.db2.gz IMUZMCBVLAGSSJ-UHFFFAOYSA-N 1 2 314.414 2.648 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000434989208 267293727 /nfs/dbraw/zinc/29/37/27/267293727.db2.gz AVLSQJPTMONNLG-UHFFFAOYSA-N 1 2 304.394 2.852 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000434989208 267293729 /nfs/dbraw/zinc/29/37/29/267293729.db2.gz AVLSQJPTMONNLG-UHFFFAOYSA-N 1 2 304.394 2.852 20 30 DFEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)cc(C#N)n1 ZINC000342844673 267340131 /nfs/dbraw/zinc/34/01/31/267340131.db2.gz WQGNECWZAPDROH-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO COC(=O)[C@]1(c2ccccc2)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425269328 267395112 /nfs/dbraw/zinc/39/51/12/267395112.db2.gz QQWBMTDGKCKQGI-LJQANCHMSA-N 1 2 321.380 2.583 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000348382825 267536051 /nfs/dbraw/zinc/53/60/51/267536051.db2.gz LPKXCXAZRVHYJA-QWRGUYRKSA-N 1 2 316.361 2.742 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccs1 ZINC000011467763 425707773 /nfs/dbraw/zinc/70/77/73/425707773.db2.gz PGMNKJYMSMSCCC-INIZCTEOSA-N 1 2 303.431 2.545 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccs1 ZINC000011467763 425707777 /nfs/dbraw/zinc/70/77/77/425707777.db2.gz PGMNKJYMSMSCCC-INIZCTEOSA-N 1 2 303.431 2.545 20 30 DFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327405 425810337 /nfs/dbraw/zinc/81/03/37/425810337.db2.gz WKHALZYZHVKMDJ-GOSISDBHSA-N 1 2 307.397 2.820 20 30 DFEDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327405 425810338 /nfs/dbraw/zinc/81/03/38/425810338.db2.gz WKHALZYZHVKMDJ-GOSISDBHSA-N 1 2 307.397 2.820 20 30 DFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncccc2C#N)cc1 ZINC000029844764 425829793 /nfs/dbraw/zinc/82/97/93/425829793.db2.gz AVIWWTMOMABVCX-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO O=C(/C=C/c1cccnc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000040918127 425851547 /nfs/dbraw/zinc/85/15/47/425851547.db2.gz LUBCWSZWXMUHRL-HWKANZROSA-N 1 2 324.380 2.516 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192013758 268021979 /nfs/dbraw/zinc/02/19/79/268021979.db2.gz MDSZXBOUHOBMEP-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192013758 268021982 /nfs/dbraw/zinc/02/19/82/268021982.db2.gz MDSZXBOUHOBMEP-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)/C=C/c1ccc(C#N)cc1)CCC2 ZINC000492239732 268069053 /nfs/dbraw/zinc/06/90/53/268069053.db2.gz PPBGTCDLRIIRHL-IJDCCNJMSA-N 1 2 320.396 2.770 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c(F)c1 ZINC000344322465 268075348 /nfs/dbraw/zinc/07/53/48/268075348.db2.gz XWLJMXXLCKNYHI-HNNXBMFYSA-N 1 2 306.287 2.799 20 30 DFEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000348275252 268093112 /nfs/dbraw/zinc/09/31/12/268093112.db2.gz JDTMVNJMFROJME-OAHLLOKOSA-N 1 2 315.336 2.527 20 30 DFEDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000411862402 268134651 /nfs/dbraw/zinc/13/46/51/268134651.db2.gz YFVRLYYPTOAHFJ-UHFFFAOYSA-N 1 2 300.793 2.894 20 30 DFEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000411862402 268134654 /nfs/dbraw/zinc/13/46/54/268134654.db2.gz YFVRLYYPTOAHFJ-UHFFFAOYSA-N 1 2 300.793 2.894 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000428987653 268163145 /nfs/dbraw/zinc/16/31/45/268163145.db2.gz XLJMUNVCTVIDFR-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000428987653 268163146 /nfs/dbraw/zinc/16/31/46/268163146.db2.gz XLJMUNVCTVIDFR-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451212278 268163406 /nfs/dbraw/zinc/16/34/06/268163406.db2.gz XCQUFRWGQNBUEG-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451212278 268163408 /nfs/dbraw/zinc/16/34/08/268163408.db2.gz XCQUFRWGQNBUEG-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC[C@@H]3C3CCC3)o2)cc1 ZINC000519151429 268196619 /nfs/dbraw/zinc/19/66/19/268196619.db2.gz XZOYPKZYNIKMSQ-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC[C@@H]3C3CCC3)o2)cc1 ZINC000519151429 268196621 /nfs/dbraw/zinc/19/66/21/268196621.db2.gz XZOYPKZYNIKMSQ-MRXNPFEDSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3ncnn3-c3ccccc3)CC2)c1 ZINC000337192766 268241392 /nfs/dbraw/zinc/24/13/92/268241392.db2.gz UXHARMXYMLLSIV-UHFFFAOYSA-N 1 2 315.380 2.918 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1F ZINC000352886745 268248113 /nfs/dbraw/zinc/24/81/13/268248113.db2.gz QZEWIKRSNQSHKB-KRWDZBQOSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1F ZINC000352886745 268248115 /nfs/dbraw/zinc/24/81/15/268248115.db2.gz QZEWIKRSNQSHKB-KRWDZBQOSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000530910701 268277863 /nfs/dbraw/zinc/27/78/63/268277863.db2.gz IYRNDFTYYHBCKG-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000292748961 268287697 /nfs/dbraw/zinc/28/76/97/268287697.db2.gz UVRPNRRINHZORK-LLVKDONJSA-N 1 2 314.414 2.970 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCC(n2cc[nH+]c2)CC1 ZINC000459336517 268289773 /nfs/dbraw/zinc/28/97/73/268289773.db2.gz BZKGOPNMUYDSLW-UHFFFAOYSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000425247702 268293780 /nfs/dbraw/zinc/29/37/80/268293780.db2.gz OXFLLUYYAVOULZ-ZDUSSCGKSA-N 1 2 309.329 2.552 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)s1 ZINC000314909573 268342105 /nfs/dbraw/zinc/34/21/05/268342105.db2.gz GHRADVYBYDOHTQ-JTQLQIEISA-N 1 2 301.371 2.652 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000314929505 268342334 /nfs/dbraw/zinc/34/23/34/268342334.db2.gz ISLMVJABPBBNMQ-JTQLQIEISA-N 1 2 301.371 2.652 20 30 DFEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000125622165 425982486 /nfs/dbraw/zinc/98/24/86/425982486.db2.gz ZDJRBAAHHKYQQA-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000125622165 425982488 /nfs/dbraw/zinc/98/24/88/425982488.db2.gz ZDJRBAAHHKYQQA-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)OC(C)(C)C ZINC000158030170 425940969 /nfs/dbraw/zinc/94/09/69/425940969.db2.gz TZMVQDUFABFEDX-AWEZNQCLSA-N 1 2 317.433 2.856 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c(C#N)c1C ZINC000124896285 425944643 /nfs/dbraw/zinc/94/46/43/425944643.db2.gz BLCPFSBMKCRYCX-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c(C#N)c1C ZINC000124896285 425944645 /nfs/dbraw/zinc/94/46/45/425944645.db2.gz BLCPFSBMKCRYCX-UHFFFAOYSA-N 1 2 324.384 2.766 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)NC1(C#N)CCCCC1 ZINC000106241897 425972049 /nfs/dbraw/zinc/97/20/49/425972049.db2.gz BIFLCWITXRTAKM-NEPJUHHUSA-N 1 2 306.435 2.525 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000106870149 425978714 /nfs/dbraw/zinc/97/87/14/425978714.db2.gz JCLAMWPHWYPDOE-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000106870149 425978717 /nfs/dbraw/zinc/97/87/17/425978717.db2.gz JCLAMWPHWYPDOE-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO Cc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)c(C#N)c(C)[nH+]1 ZINC000127538625 426071462 /nfs/dbraw/zinc/07/14/62/426071462.db2.gz QQBZNGAFMIVLMQ-UHFFFAOYSA-N 1 2 323.322 2.959 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126617171 426028744 /nfs/dbraw/zinc/02/87/44/426028744.db2.gz AXBNFWFIACZIRY-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126617171 426028747 /nfs/dbraw/zinc/02/87/47/426028747.db2.gz AXBNFWFIACZIRY-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000126780488 426036126 /nfs/dbraw/zinc/03/61/26/426036126.db2.gz UZCGLBIRMKQLFK-UHFFFAOYSA-N 1 2 321.446 2.920 20 30 DFEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000126780488 426036130 /nfs/dbraw/zinc/03/61/30/426036130.db2.gz UZCGLBIRMKQLFK-UHFFFAOYSA-N 1 2 321.446 2.920 20 30 DFEDLO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000126913812 426042284 /nfs/dbraw/zinc/04/22/84/426042284.db2.gz KDCACGXTQQHRET-NVXWUHKLSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000126913812 426042287 /nfs/dbraw/zinc/04/22/87/426042287.db2.gz KDCACGXTQQHRET-NVXWUHKLSA-N 1 2 322.836 2.794 20 30 DFEDLO Cc1cccn2c(=O)cc(C[N@@H+](CCC#N)CCC(C)C)nc12 ZINC000072692234 426018956 /nfs/dbraw/zinc/01/89/56/426018956.db2.gz NARJYMRTSKSKJS-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1cccn2c(=O)cc(C[N@H+](CCC#N)CCC(C)C)nc12 ZINC000072692234 426018959 /nfs/dbraw/zinc/01/89/59/426018959.db2.gz NARJYMRTSKSKJS-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2nc(C(C)C)no2)cs1 ZINC000072920129 426021951 /nfs/dbraw/zinc/02/19/51/426021951.db2.gz UKRWZFHSJZERBC-QMMMGPOBSA-N 1 2 309.395 2.550 20 30 DFEDLO C=CC1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000164699588 426116489 /nfs/dbraw/zinc/11/64/89/426116489.db2.gz ATXJINVNDKRTBQ-MRXNPFEDSA-N 1 2 314.433 2.658 20 30 DFEDLO CCN(CCC#N)Cc1c[nH+]c2ccc(Br)cn12 ZINC000127591172 426075793 /nfs/dbraw/zinc/07/57/93/426075793.db2.gz WPAIMSOGHAIWON-UHFFFAOYSA-N 1 2 307.195 2.832 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000162766010 426076269 /nfs/dbraw/zinc/07/62/69/426076269.db2.gz NSBXVLKTDAHKLC-KGLIPLIRSA-N 1 2 311.788 2.710 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000162766010 426076271 /nfs/dbraw/zinc/07/62/71/426076271.db2.gz NSBXVLKTDAHKLC-KGLIPLIRSA-N 1 2 311.788 2.710 20 30 DFEDLO N/C(=N/O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000079812590 426204324 /nfs/dbraw/zinc/20/43/24/426204324.db2.gz NEXCXZKNMOPQOW-LBPRGKRZSA-N 1 2 301.312 2.806 20 30 DFEDLO N/C(=N/O)[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000079812590 426204327 /nfs/dbraw/zinc/20/43/27/426204327.db2.gz NEXCXZKNMOPQOW-LBPRGKRZSA-N 1 2 301.312 2.806 20 30 DFEDLO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000079812589 426204441 /nfs/dbraw/zinc/20/44/41/426204441.db2.gz NEXCXZKNMOPQOW-GFCCVEGCSA-N 1 2 301.312 2.806 20 30 DFEDLO N/C(=N/O)[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000079812589 426204443 /nfs/dbraw/zinc/20/44/43/426204443.db2.gz NEXCXZKNMOPQOW-GFCCVEGCSA-N 1 2 301.312 2.806 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000079873313 426204778 /nfs/dbraw/zinc/20/47/78/426204778.db2.gz CMWFAKVKXRCYGB-AWEZNQCLSA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000079873313 426204781 /nfs/dbraw/zinc/20/47/81/426204781.db2.gz CMWFAKVKXRCYGB-AWEZNQCLSA-N 1 2 317.408 2.798 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000130126574 426148429 /nfs/dbraw/zinc/14/84/29/426148429.db2.gz DEIYBMKTYGDQOD-MRXNPFEDSA-N 1 2 307.353 2.555 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C(N)=O)cc1 ZINC000115599094 426169451 /nfs/dbraw/zinc/16/94/51/426169451.db2.gz MDQIVDHJPQSSTD-HNNXBMFYSA-N 1 2 317.751 2.667 20 30 DFEDLO Cc1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc[nH+]1 ZINC000133404865 426175903 /nfs/dbraw/zinc/17/59/03/426175903.db2.gz KNWZCLDYKBSWMZ-UHFFFAOYSA-N 1 2 308.341 2.557 20 30 DFEDLO CNc1nc(NCc2ccc(C#N)cc2)[nH+]cc1Br ZINC000133434691 426176880 /nfs/dbraw/zinc/17/68/80/426176880.db2.gz JEOVMTJLHPPFPQ-UHFFFAOYSA-N 1 2 318.178 2.765 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133860075 426183700 /nfs/dbraw/zinc/18/37/00/426183700.db2.gz VBAIJSQENWYVKQ-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133860075 426183705 /nfs/dbraw/zinc/18/37/05/426183705.db2.gz VBAIJSQENWYVKQ-KRWDZBQOSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133836991 426183946 /nfs/dbraw/zinc/18/39/46/426183946.db2.gz XJJBQWGRRQKDQK-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133836991 426183950 /nfs/dbraw/zinc/18/39/50/426183950.db2.gz XJJBQWGRRQKDQK-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133836788 426184099 /nfs/dbraw/zinc/18/40/99/426184099.db2.gz XJJBQWGRRQKDQK-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133836788 426184101 /nfs/dbraw/zinc/18/41/01/426184101.db2.gz XJJBQWGRRQKDQK-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)CCCCC1 ZINC000116290119 426186214 /nfs/dbraw/zinc/18/62/14/426186214.db2.gz YDJNMTXNSMYVOM-CQSZACIVSA-N 1 2 301.390 2.759 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)CCCCC1 ZINC000116290119 426186217 /nfs/dbraw/zinc/18/62/17/426186217.db2.gz YDJNMTXNSMYVOM-CQSZACIVSA-N 1 2 301.390 2.759 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCC1 ZINC000134619311 426190910 /nfs/dbraw/zinc/19/09/10/426190910.db2.gz CNUGNNQIZTXABR-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000134910138 426199996 /nfs/dbraw/zinc/19/99/96/426199996.db2.gz UWRQCOLPDVRWEP-IBGZPJMESA-N 1 2 316.445 2.737 20 30 DFEDLO C=CCSCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000171869713 426217889 /nfs/dbraw/zinc/21/78/89/426217889.db2.gz VMSXCYFQSDKMSE-UHFFFAOYSA-N 1 2 322.478 2.530 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccccc1 ZINC000083168749 426229368 /nfs/dbraw/zinc/22/93/68/426229368.db2.gz MCPPBQMVODMICI-SFHVURJKSA-N 1 2 308.381 2.947 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1 ZINC000083168749 426229372 /nfs/dbraw/zinc/22/93/72/426229372.db2.gz MCPPBQMVODMICI-SFHVURJKSA-N 1 2 308.381 2.947 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000136036598 426233774 /nfs/dbraw/zinc/23/37/74/426233774.db2.gz MSKPIWWRAOCEJD-AWEZNQCLSA-N 1 2 323.400 2.778 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000339166078 268771016 /nfs/dbraw/zinc/77/10/16/268771016.db2.gz RALGQFBEJGZVRW-UHFFFAOYSA-N 1 2 324.428 2.909 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000153792715 426406707 /nfs/dbraw/zinc/40/67/07/426406707.db2.gz YSTJUGKKEDEGEC-ZDUSSCGKSA-N 1 2 301.419 2.959 20 30 DFEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000122941589 426403838 /nfs/dbraw/zinc/40/38/38/426403838.db2.gz SMWGLHZJQQHPFG-RHSMWYFYSA-N 1 2 322.412 2.992 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000121532963 426349031 /nfs/dbraw/zinc/34/90/31/426349031.db2.gz JXGYBDVYVGGTON-UHFFFAOYSA-N 1 2 308.381 2.974 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000121532963 426349032 /nfs/dbraw/zinc/34/90/32/426349032.db2.gz JXGYBDVYVGGTON-UHFFFAOYSA-N 1 2 308.381 2.974 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000122587984 426382851 /nfs/dbraw/zinc/38/28/51/426382851.db2.gz JYMLLYSXRSSWPT-OAHLLOKOSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000122587984 426382853 /nfs/dbraw/zinc/38/28/53/426382853.db2.gz JYMLLYSXRSSWPT-OAHLLOKOSA-N 1 2 322.836 2.957 20 30 DFEDLO CCc1noc([C@@H](C)O[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000123387201 426430702 /nfs/dbraw/zinc/43/07/02/426430702.db2.gz TTXWJCHQTZVCAV-SECBINFHSA-N 1 2 308.769 2.878 20 30 DFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1nc(C2CC2)no1 ZINC000123507850 426438170 /nfs/dbraw/zinc/43/81/70/426438170.db2.gz TUCDOEIQZKCGDV-UHFFFAOYSA-N 1 2 306.753 2.632 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(C#N)c1F ZINC000340886005 269026840 /nfs/dbraw/zinc/02/68/40/269026840.db2.gz YTFAEHLGRBMDLU-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(C#N)c1F ZINC000340886005 269026842 /nfs/dbraw/zinc/02/68/42/269026842.db2.gz YTFAEHLGRBMDLU-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000177259118 426462007 /nfs/dbraw/zinc/46/20/07/426462007.db2.gz WIIZDYKDLWQAEG-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000177259118 426462010 /nfs/dbraw/zinc/46/20/10/426462010.db2.gz WIIZDYKDLWQAEG-UHFFFAOYSA-N 1 2 311.360 2.689 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155275533 426467169 /nfs/dbraw/zinc/46/71/69/426467169.db2.gz KJOAPWRKLKRFFI-SWLSCSKDSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155275533 426467173 /nfs/dbraw/zinc/46/71/73/426467173.db2.gz KJOAPWRKLKRFFI-SWLSCSKDSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H](C)C#N ZINC000098134167 426479369 /nfs/dbraw/zinc/47/93/69/426479369.db2.gz RULADZBJOTZFNI-AWEZNQCLSA-N 1 2 324.428 2.534 20 30 DFEDLO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H](C)C#N ZINC000098134167 426479370 /nfs/dbraw/zinc/47/93/70/426479370.db2.gz RULADZBJOTZFNI-AWEZNQCLSA-N 1 2 324.428 2.534 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186418741 426522928 /nfs/dbraw/zinc/52/29/28/426522928.db2.gz SCBLVQTUBVHASM-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000177903079 426537522 /nfs/dbraw/zinc/53/75/22/426537522.db2.gz PLHHCIIMCQRUJI-UHFFFAOYSA-N 1 2 313.336 2.716 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186274024 426499454 /nfs/dbraw/zinc/49/94/54/426499454.db2.gz SKIIEDWSDZGDTR-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)CCn2cc[nH+]c2)cc1 ZINC000264543414 426570470 /nfs/dbraw/zinc/57/04/70/426570470.db2.gz IMTBRWGFOYOHBA-UHFFFAOYSA-N 1 2 312.373 2.619 20 30 DFEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCC3(CC3)C2)C1=O ZINC000187011872 426620878 /nfs/dbraw/zinc/62/08/78/426620878.db2.gz NKPJJPHAKSRNKP-ZDUSSCGKSA-N 1 2 301.415 2.601 20 30 DFEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCC3(CC3)C2)C1=O ZINC000187011872 426620883 /nfs/dbraw/zinc/62/08/83/426620883.db2.gz NKPJJPHAKSRNKP-ZDUSSCGKSA-N 1 2 301.415 2.601 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469223 426581568 /nfs/dbraw/zinc/58/15/68/426581568.db2.gz OVIOUIGYKWYOHP-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469223 426581573 /nfs/dbraw/zinc/58/15/73/426581573.db2.gz OVIOUIGYKWYOHP-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[N@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289117752 426585290 /nfs/dbraw/zinc/58/52/90/426585290.db2.gz NLNVLVRCRFGBSI-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO C[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1ccc(C#N)cc1 ZINC000289117752 426585295 /nfs/dbraw/zinc/58/52/95/426585295.db2.gz NLNVLVRCRFGBSI-UHFFFAOYSA-N 1 2 315.398 2.692 20 30 DFEDLO CCC[N@H+](CCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000178211183 426586360 /nfs/dbraw/zinc/58/63/60/426586360.db2.gz GGIHCBHLNDLOEB-UHFFFAOYSA-N 1 2 308.447 2.593 20 30 DFEDLO CCC[N@@H+](CCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000178211183 426586363 /nfs/dbraw/zinc/58/63/63/426586363.db2.gz GGIHCBHLNDLOEB-UHFFFAOYSA-N 1 2 308.447 2.593 20 30 DFEDLO Cc1c(Cl)cnc(N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000273084820 426588905 /nfs/dbraw/zinc/58/89/05/426588905.db2.gz YLJRJPJQKNONDK-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000264483414 426560902 /nfs/dbraw/zinc/56/09/02/426560902.db2.gz QSXLDHVRYOOIJY-UHFFFAOYSA-N 1 2 300.318 2.797 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000264481415 426561231 /nfs/dbraw/zinc/56/12/31/426561231.db2.gz QCVLRARRULHGMT-UHFFFAOYSA-N 1 2 310.317 2.600 20 30 DFEDLO Cc1c(Cl)cnc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000273319471 426643047 /nfs/dbraw/zinc/64/30/47/426643047.db2.gz JWYKPIGOOVZZGF-UHFFFAOYSA-N 1 2 301.781 2.953 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000280758814 426650829 /nfs/dbraw/zinc/65/08/29/426650829.db2.gz YMEJFUYASLRWPP-XIRDDKMYSA-N 1 2 303.402 2.780 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000280667011 426627963 /nfs/dbraw/zinc/62/79/63/426627963.db2.gz POERUXYUIBJWGP-BMFZPTHFSA-N 1 2 307.365 2.611 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C1=O ZINC000281206385 426704812 /nfs/dbraw/zinc/70/48/12/426704812.db2.gz JIVKFQMJLKJYJF-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C1=O ZINC000281206385 426704813 /nfs/dbraw/zinc/70/48/13/426704813.db2.gz JIVKFQMJLKJYJF-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C1=O ZINC000281412302 426719428 /nfs/dbraw/zinc/71/94/28/426719428.db2.gz RGARIOOCXGWZQF-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C1=O ZINC000281412302 426719430 /nfs/dbraw/zinc/71/94/30/426719430.db2.gz RGARIOOCXGWZQF-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273587167 426692182 /nfs/dbraw/zinc/69/21/82/426692182.db2.gz OCSHALPXAPUBKT-LBPRGKRZSA-N 1 2 305.378 2.601 20 30 DFEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1[N+](=O)[O-] ZINC000179315510 426779789 /nfs/dbraw/zinc/77/97/89/426779789.db2.gz ATKHRLOKDJEGGJ-UHFFFAOYSA-N 1 2 321.340 2.746 20 30 DFEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1[N+](=O)[O-] ZINC000179315510 426779793 /nfs/dbraw/zinc/77/97/93/426779793.db2.gz ATKHRLOKDJEGGJ-UHFFFAOYSA-N 1 2 321.340 2.746 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000245938051 426785835 /nfs/dbraw/zinc/78/58/35/426785835.db2.gz ZVOPDELRFHLVNX-BBRMVZONSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000245938051 426785840 /nfs/dbraw/zinc/78/58/40/426785840.db2.gz ZVOPDELRFHLVNX-BBRMVZONSA-N 1 2 303.381 2.803 20 30 DFEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000274271848 426733189 /nfs/dbraw/zinc/73/31/89/426733189.db2.gz HUZJHFIKNILEJZ-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+](C)C[C@H](C)C#N)c(Cl)c1 ZINC000266549330 426736445 /nfs/dbraw/zinc/73/64/45/426736445.db2.gz SWAGGGFDGCVPKH-LLVKDONJSA-N 1 2 310.781 2.597 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+](C)C[C@H](C)C#N)c(Cl)c1 ZINC000266549330 426736448 /nfs/dbraw/zinc/73/64/48/426736448.db2.gz SWAGGGFDGCVPKH-LLVKDONJSA-N 1 2 310.781 2.597 20 30 DFEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560124 426739636 /nfs/dbraw/zinc/73/96/36/426739636.db2.gz XBJPLXPDYIIBFD-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560124 426739641 /nfs/dbraw/zinc/73/96/41/426739641.db2.gz XBJPLXPDYIIBFD-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000246279434 426817070 /nfs/dbraw/zinc/81/70/70/426817070.db2.gz AGLHMJPHIZLRCE-HZPDHXFCSA-N 1 2 318.442 2.846 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000246279434 426817074 /nfs/dbraw/zinc/81/70/74/426817074.db2.gz AGLHMJPHIZLRCE-HZPDHXFCSA-N 1 2 318.442 2.846 20 30 DFEDLO C#CC[N@@H+](CC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000267286448 426864241 /nfs/dbraw/zinc/86/42/41/426864241.db2.gz JCRMXSQKGBPNCF-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO C#CC[N@H+](CC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000267286448 426864246 /nfs/dbraw/zinc/86/42/46/426864246.db2.gz JCRMXSQKGBPNCF-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO C[NH+](C)[C@@H](CNc1ccc(C#N)nc1)c1c(F)cccc1F ZINC000267337400 426874491 /nfs/dbraw/zinc/87/44/91/426874491.db2.gz CXKJZXAGEQEPPI-HNNXBMFYSA-N 1 2 302.328 2.946 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(Br)c1 ZINC000181208386 426925235 /nfs/dbraw/zinc/92/52/35/426925235.db2.gz NPEAIRXJDOPJKH-OAHLLOKOSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(Br)c1 ZINC000181208386 426925239 /nfs/dbraw/zinc/92/52/39/426925239.db2.gz NPEAIRXJDOPJKH-OAHLLOKOSA-N 1 2 321.218 2.932 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cccs1 ZINC000248026532 426976040 /nfs/dbraw/zinc/97/60/40/426976040.db2.gz JROROFQMGRBEFE-UHFFFAOYSA-N 1 2 318.446 2.725 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cccs1 ZINC000248026532 426976047 /nfs/dbraw/zinc/97/60/47/426976047.db2.gz JROROFQMGRBEFE-UHFFFAOYSA-N 1 2 318.446 2.725 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]2CCC[C@H]21 ZINC000328604729 426980106 /nfs/dbraw/zinc/98/01/06/426980106.db2.gz IVONINLQGCILSG-SOUVJXGZSA-N 1 2 302.422 2.939 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247464406 426938670 /nfs/dbraw/zinc/93/86/70/426938670.db2.gz PTJIKHFJJQATEZ-LSDHHAIUSA-N 1 2 320.458 2.711 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247464406 426938680 /nfs/dbraw/zinc/93/86/80/426938680.db2.gz PTJIKHFJJQATEZ-LSDHHAIUSA-N 1 2 320.458 2.711 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)s1 ZINC000328804971 426998583 /nfs/dbraw/zinc/99/85/83/426998583.db2.gz LQDIAIOPYOUTQE-ZIAGYGMSSA-N 1 2 321.446 2.818 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)s1 ZINC000328804971 426998593 /nfs/dbraw/zinc/99/85/93/426998593.db2.gz LQDIAIOPYOUTQE-ZIAGYGMSSA-N 1 2 321.446 2.818 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000328784775 426998652 /nfs/dbraw/zinc/99/86/52/426998652.db2.gz NZUXMAOYJKXISX-XNISGKROSA-N 1 2 321.421 2.538 20 30 DFEDLO N#Cc1ccc(NC(=O)c2ccccc2Oc2cc[nH+]cc2)nc1 ZINC000337852088 427000123 /nfs/dbraw/zinc/00/01/23/427000123.db2.gz GCBDTZVQANHXJY-UHFFFAOYSA-N 1 2 316.320 3.393 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000328860804 427007948 /nfs/dbraw/zinc/00/79/48/427007948.db2.gz ANRUWUZFJMCHBQ-LBPRGKRZSA-N 1 2 314.389 2.601 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@H]1CCNC1=O ZINC000328889237 427009375 /nfs/dbraw/zinc/00/93/75/427009375.db2.gz QJICEAJIFMPKPO-CPRYYRBXSA-N 1 2 319.449 2.961 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@H]1CCNC1=O ZINC000328889237 427009378 /nfs/dbraw/zinc/00/93/78/427009378.db2.gz QJICEAJIFMPKPO-CPRYYRBXSA-N 1 2 319.449 2.961 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000328921423 427012769 /nfs/dbraw/zinc/01/27/69/427012769.db2.gz BOTFWCVXRPWEFI-OLZOCXBDSA-N 1 2 303.410 2.634 20 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/nfs/dbraw/zinc/02/95/27/427029527.db2.gz NONSBRCIYMASAG-LBPRGKRZSA-N 1 2 320.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268488369 427031597 /nfs/dbraw/zinc/03/15/97/427031597.db2.gz NKANZVHCVYUMOA-UHFFFAOYSA-N 1 2 320.462 2.561 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268488369 427031603 /nfs/dbraw/zinc/03/16/03/427031603.db2.gz NKANZVHCVYUMOA-UHFFFAOYSA-N 1 2 320.462 2.561 20 30 DFEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000329042694 427031747 /nfs/dbraw/zinc/03/17/47/427031747.db2.gz TZOBILDEXFUZEI-NFAWXSAZSA-N 1 2 305.422 2.996 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)C1CCOCC1 ZINC000329064255 427037879 /nfs/dbraw/zinc/03/78/79/427037879.db2.gz OLYPLRJPNJQDAX-RBSFLKMASA-N 1 2 303.406 2.890 20 30 DFEDLO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1nc(C)cs1)C2 ZINC000329074830 427039751 /nfs/dbraw/zinc/03/97/51/427039751.db2.gz PKPGLLOTJJCWIW-UHFFFAOYSA-N 1 2 309.435 2.931 20 30 DFEDLO 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ZINC000331106842 427344545 /nfs/dbraw/zinc/34/45/45/427344545.db2.gz ABLMNVDKCBCKQV-ZDUSSCGKSA-N 1 2 304.438 2.697 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000331106842 427344548 /nfs/dbraw/zinc/34/45/48/427344548.db2.gz ABLMNVDKCBCKQV-ZDUSSCGKSA-N 1 2 304.438 2.697 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C ZINC000331098113 427344687 /nfs/dbraw/zinc/34/46/87/427344687.db2.gz NDXYZKOOZBIIDD-BFHYXJOUSA-N 1 2 322.453 2.576 20 30 DFEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810087 427345781 /nfs/dbraw/zinc/34/57/81/427345781.db2.gz GGXKEVHLBWODFM-CXAGYDPISA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810087 427345783 /nfs/dbraw/zinc/34/57/83/427345783.db2.gz GGXKEVHLBWODFM-CXAGYDPISA-N 1 2 319.836 2.507 20 30 DFEDLO N#Cc1cc2c(nc1N[C@@H]1CCN(c3cccc[nH+]3)C1)CCC2 ZINC000269866498 427293547 /nfs/dbraw/zinc/29/35/47/427293547.db2.gz KWVQRZWVPUPSLI-OAHLLOKOSA-N 1 2 305.385 2.528 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@H](C)CC ZINC000183583038 427295811 /nfs/dbraw/zinc/29/58/11/427295811.db2.gz JLUDBQCQGVFOER-MLGOLLRUSA-N 1 2 304.390 2.634 20 30 DFEDLO COCCn1c2ccccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000191569559 427382365 /nfs/dbraw/zinc/38/23/65/427382365.db2.gz NNQYVTBZNYIGRC-UHFFFAOYSA-N 1 2 309.373 2.505 20 30 DFEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(Cc2ccccc2)no1 ZINC000191596560 427384259 /nfs/dbraw/zinc/38/42/59/427384259.db2.gz AITXRUHHUSQWPV-ZDUSSCGKSA-N 1 2 321.384 2.721 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4c3OCC[C@H]4O)n2c1 ZINC000184077340 427388109 /nfs/dbraw/zinc/38/81/09/427388109.db2.gz RGQFNMPMFNAIMR-MRXNPFEDSA-N 1 2 320.352 2.634 20 30 DFEDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000331141884 427354611 /nfs/dbraw/zinc/35/46/11/427354611.db2.gz UQCRMSKBADUPCF-LBPRGKRZSA-N 1 2 319.836 2.948 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1F ZINC000191925918 427447308 /nfs/dbraw/zinc/44/73/08/427447308.db2.gz LNYVDUMTMLTUSR-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278935589 427504481 /nfs/dbraw/zinc/50/44/81/427504481.db2.gz NADWDMPPMULHAF-LLVKDONJSA-N 1 2 305.332 2.608 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278935589 427504488 /nfs/dbraw/zinc/50/44/88/427504488.db2.gz NADWDMPPMULHAF-LLVKDONJSA-N 1 2 305.332 2.608 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000298031304 427506207 /nfs/dbraw/zinc/50/62/07/427506207.db2.gz FNJQRZGEYJPPRF-ZDUSSCGKSA-N 1 2 315.348 2.585 20 30 DFEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184634235 427509404 /nfs/dbraw/zinc/50/94/04/427509404.db2.gz IAUVJBPOGHMJAM-CQSZACIVSA-N 1 2 312.442 2.894 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000263656646 427533814 /nfs/dbraw/zinc/53/38/14/427533814.db2.gz OFTNQNHVEAULIE-AWEZNQCLSA-N 1 2 323.400 2.517 20 30 DFEDLO Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000286453672 427534200 /nfs/dbraw/zinc/53/42/00/427534200.db2.gz RVKCQHKDCPKFJI-AWEZNQCLSA-N 1 2 324.359 2.866 20 30 DFEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(Cl)cccc1C#N ZINC000286499591 427536976 /nfs/dbraw/zinc/53/69/76/427536976.db2.gz YCESYILNIQCWDA-TZMCWYRMSA-N 1 2 305.809 2.511 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000263672825 427537236 /nfs/dbraw/zinc/53/72/36/427537236.db2.gz GQGXEGQBCBHVCN-CQSZACIVSA-N 1 2 310.376 2.976 20 30 DFEDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000332235145 427551961 /nfs/dbraw/zinc/55/19/61/427551961.db2.gz QRRHRTYPJKKKKO-ZDUSSCGKSA-N 1 2 324.833 2.550 20 30 DFEDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000332235145 427551966 /nfs/dbraw/zinc/55/19/66/427551966.db2.gz QRRHRTYPJKKKKO-ZDUSSCGKSA-N 1 2 324.833 2.550 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)cc2OC)CC[S@]1=O ZINC000185247904 427619647 /nfs/dbraw/zinc/61/96/47/427619647.db2.gz VLPSCJIDLTYKLH-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2OC)CC[S@]1=O ZINC000185247904 427619652 /nfs/dbraw/zinc/61/96/52/427619652.db2.gz VLPSCJIDLTYKLH-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C1CC1 ZINC000271487764 427557036 /nfs/dbraw/zinc/55/70/36/427557036.db2.gz UEQYLNIWTDQWTM-UHFFFAOYSA-N 1 2 310.405 2.656 20 30 DFEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccccc2C)n1)C1CC1 ZINC000271487764 427557042 /nfs/dbraw/zinc/55/70/42/427557042.db2.gz UEQYLNIWTDQWTM-UHFFFAOYSA-N 1 2 310.405 2.656 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298293386 427561684 /nfs/dbraw/zinc/56/16/84/427561684.db2.gz REEQJVBIMQFGIX-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298293386 427561690 /nfs/dbraw/zinc/56/16/90/427561690.db2.gz REEQJVBIMQFGIX-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000338944359 427576262 /nfs/dbraw/zinc/57/62/62/427576262.db2.gz FVXKTWYHJMCTMT-KEYYUXOJSA-N 1 2 317.408 2.969 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000338944359 427576264 /nfs/dbraw/zinc/57/62/64/427576264.db2.gz FVXKTWYHJMCTMT-KEYYUXOJSA-N 1 2 317.408 2.969 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CO ZINC000287380286 427593165 /nfs/dbraw/zinc/59/31/65/427593165.db2.gz QSIRJQMKMMJOLU-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC000287380286 427593170 /nfs/dbraw/zinc/59/31/70/427593170.db2.gz QSIRJQMKMMJOLU-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)cc(OC)c2)n1 ZINC000279339974 427645435 /nfs/dbraw/zinc/64/54/35/427645435.db2.gz DTVYOXCWGXSIBB-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)cc(OC)c2)n1 ZINC000279339974 427645439 /nfs/dbraw/zinc/64/54/39/427645439.db2.gz DTVYOXCWGXSIBB-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000193547549 427696036 /nfs/dbraw/zinc/69/60/36/427696036.db2.gz HQYCBCHWUJTDLV-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000193547549 427696045 /nfs/dbraw/zinc/69/60/45/427696045.db2.gz HQYCBCHWUJTDLV-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO C=CCOCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000339173889 427717195 /nfs/dbraw/zinc/71/71/95/427717195.db2.gz KTCQZKMGJWQDOE-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCOCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000339173889 427717199 /nfs/dbraw/zinc/71/71/99/427717199.db2.gz KTCQZKMGJWQDOE-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CCC(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339277367 427747428 /nfs/dbraw/zinc/74/74/28/427747428.db2.gz ZDNMIRZPSBEPOC-IRXDYDNUSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@@H](C(=O)N(CCC#N)CCC(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339277367 427747433 /nfs/dbraw/zinc/74/74/33/427747433.db2.gz ZDNMIRZPSBEPOC-IRXDYDNUSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339274129 427747687 /nfs/dbraw/zinc/74/76/87/427747687.db2.gz LDQQHZXXCSPOOT-JKSUJKDBSA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339274129 427747691 /nfs/dbraw/zinc/74/76/91/427747691.db2.gz LDQQHZXXCSPOOT-JKSUJKDBSA-N 1 2 323.481 2.664 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1=O ZINC000337163112 427807658 /nfs/dbraw/zinc/80/76/58/427807658.db2.gz WGJKKPGRPCVEQM-ROUUACIJSA-N 1 2 307.397 2.548 20 30 DFEDLO COCCn1nc(C)c(CNc2cc(C)[nH+]c(C)c2C#N)c1C ZINC000301644378 427811756 /nfs/dbraw/zinc/81/17/56/427811756.db2.gz CKOYGMCKQDPUSN-UHFFFAOYSA-N 1 2 313.405 2.642 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)C1=O ZINC000337203966 427815714 /nfs/dbraw/zinc/81/57/14/427815714.db2.gz HDMMGBCCOJIRAJ-OAHLLOKOSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2Cl)C1=O ZINC000337203966 427815716 /nfs/dbraw/zinc/81/57/16/427815716.db2.gz HDMMGBCCOJIRAJ-OAHLLOKOSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)C1=O ZINC000337227579 427818910 /nfs/dbraw/zinc/81/89/10/427818910.db2.gz QFEPKTPSZRSKRT-HNNXBMFYSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2Cl)C1=O ZINC000337227579 427818912 /nfs/dbraw/zinc/81/89/12/427818912.db2.gz QFEPKTPSZRSKRT-HNNXBMFYSA-N 1 2 308.809 2.567 20 30 DFEDLO Cc1cc(NCCN(C)C(=O)OC(C)(C)C)c(C#N)c(C)[nH+]1 ZINC000301758532 427821742 /nfs/dbraw/zinc/82/17/42/427821742.db2.gz FEUFLXKAPYDQOB-UHFFFAOYSA-N 1 2 304.394 2.849 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000339759385 427824000 /nfs/dbraw/zinc/82/40/00/427824000.db2.gz MKSIYWYOUOJARR-CQSZACIVSA-N 1 2 315.442 2.832 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000339759385 427824001 /nfs/dbraw/zinc/82/40/01/427824001.db2.gz MKSIYWYOUOJARR-CQSZACIVSA-N 1 2 315.442 2.832 20 30 DFEDLO Cc1cc(NCC(=O)N2CCCc3ccccc32)c(C#N)c(C)[nH+]1 ZINC000301799137 427825332 /nfs/dbraw/zinc/82/53/32/427825332.db2.gz VAJOHVDLLRLKMR-UHFFFAOYSA-N 1 2 320.396 2.961 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3ccc(C#N)nc3)ccc2[nH+]1 ZINC000359451635 427856627 /nfs/dbraw/zinc/85/66/27/427856627.db2.gz AXGGZRUPMDGGNI-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO N#CCSCc1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349856997 427880676 /nfs/dbraw/zinc/88/06/76/427880676.db2.gz XEYSXQBOOZRSAM-CYBMUJFWSA-N 1 2 322.434 2.532 20 30 DFEDLO N#CCSCc1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349856997 427880680 /nfs/dbraw/zinc/88/06/80/427880680.db2.gz XEYSXQBOOZRSAM-CYBMUJFWSA-N 1 2 322.434 2.532 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416647 427897438 /nfs/dbraw/zinc/89/74/38/427897438.db2.gz RQXJUJUXTMDISM-DYVFJYSZSA-N 1 2 308.372 2.695 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416647 427897442 /nfs/dbraw/zinc/89/74/42/427897442.db2.gz RQXJUJUXTMDISM-DYVFJYSZSA-N 1 2 308.372 2.695 20 30 DFEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000337430078 427900482 /nfs/dbraw/zinc/90/04/82/427900482.db2.gz YJOBYBQSPHLMHT-GOSISDBHSA-N 1 2 317.408 2.547 20 30 DFEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000337430078 427900488 /nfs/dbraw/zinc/90/04/88/427900488.db2.gz YJOBYBQSPHLMHT-GOSISDBHSA-N 1 2 317.408 2.547 20 30 DFEDLO CC(C)(C#N)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000359650671 427957572 /nfs/dbraw/zinc/95/75/72/427957572.db2.gz OQSWBENPTDNMBD-MRXNPFEDSA-N 1 2 317.408 2.846 20 30 DFEDLO CC(C)(C#N)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000359650671 427957577 /nfs/dbraw/zinc/95/75/77/427957577.db2.gz OQSWBENPTDNMBD-MRXNPFEDSA-N 1 2 317.408 2.846 20 30 DFEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccccc1 ZINC000337567453 427961653 /nfs/dbraw/zinc/96/16/53/427961653.db2.gz BUAGCWHDTWXIOV-APWZRJJASA-N 1 2 321.424 2.914 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369542672 427996106 /nfs/dbraw/zinc/99/61/06/427996106.db2.gz WNJQRGARDWVPRD-QZTJIDSGSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369542672 427996108 /nfs/dbraw/zinc/99/61/08/427996108.db2.gz WNJQRGARDWVPRD-QZTJIDSGSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369645328 428024987 /nfs/dbraw/zinc/02/49/87/428024987.db2.gz CFTUUHDRYPDNTD-LSDHHAIUSA-N 1 2 304.438 2.832 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000356119999 428029512 /nfs/dbraw/zinc/02/95/12/428029512.db2.gz CTWAUVUBOLUPBM-HNNXBMFYSA-N 1 2 321.446 2.565 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369679572 428034870 /nfs/dbraw/zinc/03/48/70/428034870.db2.gz DGNGUZBYAUEFOD-UHFFFAOYSA-N 1 2 312.348 2.531 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCCOC2)O1 ZINC000369787299 428059877 /nfs/dbraw/zinc/05/98/77/428059877.db2.gz NYSYGABJXBMKGK-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCCOC2)O1 ZINC000369787299 428059880 /nfs/dbraw/zinc/05/98/80/428059880.db2.gz NYSYGABJXBMKGK-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO N#CC1(NC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCC1 ZINC000369854181 428075555 /nfs/dbraw/zinc/07/55/55/428075555.db2.gz UVMZDYOPPKQMLN-OAHLLOKOSA-N 1 2 320.396 2.675 20 30 DFEDLO N#CC1(NC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCC1 ZINC000369854180 428075721 /nfs/dbraw/zinc/07/57/21/428075721.db2.gz UVMZDYOPPKQMLN-HNNXBMFYSA-N 1 2 320.396 2.675 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356236784 428083653 /nfs/dbraw/zinc/08/36/53/428083653.db2.gz ZYICKGDZVMLWOC-SNVBAGLBSA-N 1 2 314.307 2.960 20 30 DFEDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356236784 428083656 /nfs/dbraw/zinc/08/36/56/428083656.db2.gz ZYICKGDZVMLWOC-SNVBAGLBSA-N 1 2 314.307 2.960 20 30 DFEDLO C[C@H]([NH2+]Cc1nnnn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000369998839 428105084 /nfs/dbraw/zinc/10/50/84/428105084.db2.gz PPUCLZXXYFEDDM-ZDUSSCGKSA-N 1 2 318.384 2.600 20 30 DFEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)no1 ZINC000351995363 428122631 /nfs/dbraw/zinc/12/26/31/428122631.db2.gz NAIRAMAQZJUSHV-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO Cc1noc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000370163372 428150928 /nfs/dbraw/zinc/15/09/28/428150928.db2.gz PIIOBTJVLLNCJQ-INIZCTEOSA-N 1 2 312.373 2.507 20 30 DFEDLO CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000360075882 428147651 /nfs/dbraw/zinc/14/76/51/428147651.db2.gz VVELHYAPPMLBHL-NVXWUHKLSA-N 1 2 314.433 2.894 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000360075882 428147657 /nfs/dbraw/zinc/14/76/57/428147657.db2.gz VVELHYAPPMLBHL-NVXWUHKLSA-N 1 2 314.433 2.894 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000370408111 428205400 /nfs/dbraw/zinc/20/54/00/428205400.db2.gz YBJCXZAGCVGIBK-QGZVFWFLSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000370408111 428205405 /nfs/dbraw/zinc/20/54/05/428205405.db2.gz YBJCXZAGCVGIBK-QGZVFWFLSA-N 1 2 313.380 2.743 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414106864 428208784 /nfs/dbraw/zinc/20/87/84/428208784.db2.gz JDYZRLONWGZDEH-GFCCVEGCSA-N 1 2 301.415 2.763 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1Cc1ccccc1 ZINC000414141242 428216145 /nfs/dbraw/zinc/21/61/45/428216145.db2.gz IGGXTWTYXGSJRN-LJQANCHMSA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1Cc1ccccc1 ZINC000414141242 428216148 /nfs/dbraw/zinc/21/61/48/428216148.db2.gz IGGXTWTYXGSJRN-LJQANCHMSA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000414147324 428219716 /nfs/dbraw/zinc/21/97/16/428219716.db2.gz RHJXGHSXVXVMCW-GFCCVEGCSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000414147324 428219722 /nfs/dbraw/zinc/21/97/22/428219722.db2.gz RHJXGHSXVXVMCW-GFCCVEGCSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1Cl ZINC000414166297 428221126 /nfs/dbraw/zinc/22/11/26/428221126.db2.gz QSCUOAAXDQFEDY-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1Cl ZINC000414166297 428221134 /nfs/dbraw/zinc/22/11/34/428221134.db2.gz QSCUOAAXDQFEDY-JTQLQIEISA-N 1 2 303.189 2.579 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000360294058 428237956 /nfs/dbraw/zinc/23/79/56/428237956.db2.gz XBHCKLQOJANXSD-HOTGVXAUSA-N 1 2 311.410 2.983 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000360294058 428237961 /nfs/dbraw/zinc/23/79/61/428237961.db2.gz XBHCKLQOJANXSD-HOTGVXAUSA-N 1 2 311.410 2.983 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356478732 428196904 /nfs/dbraw/zinc/19/69/04/428196904.db2.gz LZAIOYZBTNFLNF-KRWDZBQOSA-N 1 2 310.401 2.819 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000352867851 428287873 /nfs/dbraw/zinc/28/78/73/428287873.db2.gz AYLLAYRWLXFNDC-UHFFFAOYSA-N 1 2 308.750 2.866 20 30 DFEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352880503 428291340 /nfs/dbraw/zinc/29/13/40/428291340.db2.gz CIMWTELEZKQFMA-QGZVFWFLSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352880503 428291345 /nfs/dbraw/zinc/29/13/45/428291345.db2.gz CIMWTELEZKQFMA-QGZVFWFLSA-N 1 2 323.371 2.935 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360422206 428292557 /nfs/dbraw/zinc/29/25/57/428292557.db2.gz FWIMGHORXIUKKR-UHFFFAOYSA-N 1 2 310.401 2.991 20 30 DFEDLO CC(C)(C)Oc1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000352808725 428256205 /nfs/dbraw/zinc/25/62/05/428256205.db2.gz DGPXEZANUIQQBQ-UHFFFAOYSA-N 1 2 302.403 2.877 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000346970540 428389707 /nfs/dbraw/zinc/38/97/07/428389707.db2.gz IOCVDFSANASXLO-HBUWYVDXSA-N 1 2 314.433 2.598 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccsc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371471024 428393425 /nfs/dbraw/zinc/39/34/25/428393425.db2.gz QGUREZBFXBKZAB-GUYCJALGSA-N 1 2 309.394 2.594 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccsc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371471024 428393429 /nfs/dbraw/zinc/39/34/29/428393429.db2.gz QGUREZBFXBKZAB-GUYCJALGSA-N 1 2 309.394 2.594 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3ccccn3c1C#N)CCC2 ZINC000360678367 428395385 /nfs/dbraw/zinc/39/53/85/428395385.db2.gz CYGOFVODPGQMGU-CYBMUJFWSA-N 1 2 306.373 2.700 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000378436518 428395936 /nfs/dbraw/zinc/39/59/36/428395936.db2.gz PYLDZGZEMYZFAV-CQSZACIVSA-N 1 2 312.373 2.506 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000378436518 428395942 /nfs/dbraw/zinc/39/59/42/428395942.db2.gz PYLDZGZEMYZFAV-CQSZACIVSA-N 1 2 312.373 2.506 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715322 428412889 /nfs/dbraw/zinc/41/28/89/428412889.db2.gz NEEYBVOQPYMNGC-KBPBESRZSA-N 1 2 323.437 2.813 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715322 428412894 /nfs/dbraw/zinc/41/28/94/428412894.db2.gz NEEYBVOQPYMNGC-KBPBESRZSA-N 1 2 323.437 2.813 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371366757 428386194 /nfs/dbraw/zinc/38/61/94/428386194.db2.gz ZUBGTWKAXRZZQM-CQSZACIVSA-N 1 2 307.438 2.760 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371366757 428386198 /nfs/dbraw/zinc/38/61/98/428386198.db2.gz ZUBGTWKAXRZZQM-CQSZACIVSA-N 1 2 307.438 2.760 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000342783107 428452786 /nfs/dbraw/zinc/45/27/86/428452786.db2.gz HPRBSCGXFWPUCB-CABCVRRESA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000342783107 428452790 /nfs/dbraw/zinc/45/27/90/428452790.db2.gz HPRBSCGXFWPUCB-CABCVRRESA-N 1 2 304.438 2.842 20 30 DFEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)C[C@@H]1Cc1ccccc1 ZINC000342839059 428467080 /nfs/dbraw/zinc/46/70/80/428467080.db2.gz GJRGOGOOHWSOIL-KRWDZBQOSA-N 1 2 311.454 2.978 20 30 DFEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1Cc1ccccc1 ZINC000342839059 428467084 /nfs/dbraw/zinc/46/70/84/428467084.db2.gz GJRGOGOOHWSOIL-KRWDZBQOSA-N 1 2 311.454 2.978 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000342386386 428424237 /nfs/dbraw/zinc/42/42/37/428424237.db2.gz PIDUORKWHJFIRM-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000353371105 428505411 /nfs/dbraw/zinc/50/54/11/428505411.db2.gz QRGFAOWLPLGYOL-KRWDZBQOSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000353371105 428505413 /nfs/dbraw/zinc/50/54/13/428505413.db2.gz QRGFAOWLPLGYOL-KRWDZBQOSA-N 1 2 318.461 2.794 20 30 DFEDLO CC[C@@]1(O)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347244739 428509776 /nfs/dbraw/zinc/50/97/76/428509776.db2.gz HNUWTLSBXPBTOI-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO CC[C@@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347244739 428509779 /nfs/dbraw/zinc/50/97/79/428509779.db2.gz HNUWTLSBXPBTOI-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2ccc(Cl)cc21 ZINC000357303786 428472960 /nfs/dbraw/zinc/47/29/60/428472960.db2.gz PEOCYEYZMHFCSJ-LLVKDONJSA-N 1 2 311.776 2.879 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC000361110844 428538019 /nfs/dbraw/zinc/53/80/19/428538019.db2.gz IBGUXMJNTXISOV-IUODEOHRSA-N 1 2 311.809 2.605 20 30 DFEDLO CCc1cc(N2CCC(F)(C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000343227186 428539229 /nfs/dbraw/zinc/53/92/29/428539229.db2.gz UBBLKDNCVFUWHD-UHFFFAOYSA-N 1 2 311.364 2.933 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)c(C(=O)OCC)s1)C1CC1 ZINC000357534336 428544941 /nfs/dbraw/zinc/54/49/41/428544941.db2.gz ZADFZQIBZAVDDS-UHFFFAOYSA-N 1 2 322.430 2.822 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)c(C(=O)OCC)s1)C1CC1 ZINC000357534336 428544947 /nfs/dbraw/zinc/54/49/47/428544947.db2.gz ZADFZQIBZAVDDS-UHFFFAOYSA-N 1 2 322.430 2.822 20 30 DFEDLO N#CC1(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000361455974 428569452 /nfs/dbraw/zinc/56/94/52/428569452.db2.gz DWCKWSCGYAWNDQ-NSHDSACASA-N 1 2 300.280 2.512 20 30 DFEDLO O=C1OCC[C@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]12 ZINC000373445830 428578711 /nfs/dbraw/zinc/57/87/11/428578711.db2.gz ARIVSBFXHVKIGW-UKRRQHHQSA-N 1 2 323.314 2.694 20 30 DFEDLO O=C1OCC[C@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]12 ZINC000373445830 428578715 /nfs/dbraw/zinc/57/87/15/428578715.db2.gz ARIVSBFXHVKIGW-UKRRQHHQSA-N 1 2 323.314 2.694 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000361996942 428610075 /nfs/dbraw/zinc/61/00/75/428610075.db2.gz QYOSJBFFLRVUQH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000361996942 428610080 /nfs/dbraw/zinc/61/00/80/428610080.db2.gz QYOSJBFFLRVUQH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347619577 428618736 /nfs/dbraw/zinc/61/87/36/428618736.db2.gz ZCFIELWIXYXPJS-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347619577 428618742 /nfs/dbraw/zinc/61/87/42/428618742.db2.gz ZCFIELWIXYXPJS-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000347683503 428618899 /nfs/dbraw/zinc/61/88/99/428618899.db2.gz DVZIJWQPXMKSBK-AEFFLSMTSA-N 1 2 324.428 2.832 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000347690957 428620271 /nfs/dbraw/zinc/62/02/71/428620271.db2.gz NFWWYJRMUAMXFX-WDEREUQCSA-N 1 2 309.316 2.508 20 30 DFEDLO CCc1nnc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344079230 428622494 /nfs/dbraw/zinc/62/24/94/428622494.db2.gz ZOYNVTMLDYUSPQ-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO CCc1nnc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344079230 428622500 /nfs/dbraw/zinc/62/25/00/428622500.db2.gz ZOYNVTMLDYUSPQ-CYBMUJFWSA-N 1 2 314.389 2.713 20 30 DFEDLO Cc1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344067674 428622961 /nfs/dbraw/zinc/62/29/61/428622961.db2.gz IRHZTNKRHMCXQW-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO Cc1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344067674 428622967 /nfs/dbraw/zinc/62/29/67/428622967.db2.gz IRHZTNKRHMCXQW-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000373744674 428643782 /nfs/dbraw/zinc/64/37/82/428643782.db2.gz JTEPSBBKVQRJHQ-UHFFFAOYSA-N 1 2 324.315 2.715 20 30 DFEDLO COCC1(C)CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000358733061 428645976 /nfs/dbraw/zinc/64/59/76/428645976.db2.gz ADIRBIKXYNWAME-MRXNPFEDSA-N 1 2 316.401 2.521 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)C[C@H](CC#N)c1ccccc1)CC2 ZINC000373851826 428652820 /nfs/dbraw/zinc/65/28/20/428652820.db2.gz SNOUXXQCFJLMLB-INIZCTEOSA-N 1 2 308.385 2.621 20 30 DFEDLO C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000362219899 428663728 /nfs/dbraw/zinc/66/37/28/428663728.db2.gz KZSIYNAPMGKKHH-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO Cc1nc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000348326665 428707604 /nfs/dbraw/zinc/70/76/04/428707604.db2.gz TWYQFGQVERYVJI-LBPRGKRZSA-N 1 2 320.462 2.787 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000348325891 428708299 /nfs/dbraw/zinc/70/82/99/428708299.db2.gz YLSPCGCHCMQVQX-SNVBAGLBSA-N 1 2 300.387 2.613 20 30 DFEDLO COCc1noc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374612625 428711952 /nfs/dbraw/zinc/71/19/52/428711952.db2.gz MZZPODCGGFGEGA-CYBMUJFWSA-N 1 2 324.384 2.938 20 30 DFEDLO COCc1noc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374612625 428711958 /nfs/dbraw/zinc/71/19/58/428711958.db2.gz MZZPODCGGFGEGA-CYBMUJFWSA-N 1 2 324.384 2.938 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCN(CCOC(C)C)CC2)c1 ZINC000353793379 428717623 /nfs/dbraw/zinc/71/76/23/428717623.db2.gz IQKKZNLJOAGJLJ-UHFFFAOYSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3C)C2)cc1OC ZINC000374419191 428678783 /nfs/dbraw/zinc/67/87/83/428678783.db2.gz GHYJMVKHNVHGMB-UHFFFAOYSA-N 1 2 313.401 2.552 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000374410016 428680547 /nfs/dbraw/zinc/68/05/47/428680547.db2.gz FUBBSSYPQBVYNF-UHFFFAOYSA-N 1 2 314.202 2.641 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000374410016 428680554 /nfs/dbraw/zinc/68/05/54/428680554.db2.gz FUBBSSYPQBVYNF-UHFFFAOYSA-N 1 2 314.202 2.641 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCC(C)C ZINC000411189331 428757749 /nfs/dbraw/zinc/75/77/49/428757749.db2.gz GAYLRWIGZGRXMF-AWEZNQCLSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCC(C)C ZINC000411189331 428757753 /nfs/dbraw/zinc/75/77/53/428757753.db2.gz GAYLRWIGZGRXMF-AWEZNQCLSA-N 1 2 319.405 2.744 20 30 DFEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CCn2cc[nH+]c2C1 ZINC000358958562 428748420 /nfs/dbraw/zinc/74/84/20/428748420.db2.gz PAEQCGSODJNGBP-UHFFFAOYSA-N 1 2 314.437 2.660 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000375243876 428830802 /nfs/dbraw/zinc/83/08/02/428830802.db2.gz BXCVITGBAPXECU-IUODEOHRSA-N 1 2 324.359 2.803 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000345296246 428834284 /nfs/dbraw/zinc/83/42/84/428834284.db2.gz FTLVJKKZVCRCNU-INIZCTEOSA-N 1 2 321.384 2.532 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000354108408 428866578 /nfs/dbraw/zinc/86/65/78/428866578.db2.gz VMGLJVSGSXYUGJ-LBPRGKRZSA-N 1 2 309.373 2.772 20 30 DFEDLO C=CC[C@@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349134337 428925975 /nfs/dbraw/zinc/92/59/75/428925975.db2.gz XCJVIBZMMXSGBJ-CYBMUJFWSA-N 1 2 310.401 3.092 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000375616816 428926362 /nfs/dbraw/zinc/92/63/62/428926362.db2.gz JYLMDTKTGTZXKW-CYBMUJFWSA-N 1 2 314.776 2.885 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(CCC#N)c1ccccc1 ZINC000349252525 428950072 /nfs/dbraw/zinc/95/00/72/428950072.db2.gz UQPGSLDNUCANGB-KBPBESRZSA-N 1 2 312.373 2.661 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000355001785 429023358 /nfs/dbraw/zinc/02/33/58/429023358.db2.gz QTEXTJWPLOQEOU-KRWDZBQOSA-N 1 2 319.836 2.754 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000355001785 429023364 /nfs/dbraw/zinc/02/33/64/429023364.db2.gz QTEXTJWPLOQEOU-KRWDZBQOSA-N 1 2 319.836 2.754 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1Cl ZINC000375944840 429024146 /nfs/dbraw/zinc/02/41/46/429024146.db2.gz BWOUGRRGDLPZJY-GFCCVEGCSA-N 1 2 319.771 2.607 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1Cl ZINC000375944840 429024153 /nfs/dbraw/zinc/02/41/53/429024153.db2.gz BWOUGRRGDLPZJY-GFCCVEGCSA-N 1 2 319.771 2.607 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000355034476 429025587 /nfs/dbraw/zinc/02/55/87/429025587.db2.gz HTHWEHSQVAHEJD-QZTJIDSGSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000355034476 429025591 /nfs/dbraw/zinc/02/55/91/429025591.db2.gz HTHWEHSQVAHEJD-QZTJIDSGSA-N 1 2 315.413 2.821 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000420928815 428975862 /nfs/dbraw/zinc/97/58/62/428975862.db2.gz PWZZOMSLXJROTF-NEPJUHHUSA-N 1 2 321.446 2.957 20 30 DFEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000420928815 428975866 /nfs/dbraw/zinc/97/58/66/428975866.db2.gz PWZZOMSLXJROTF-NEPJUHHUSA-N 1 2 321.446 2.957 20 30 DFEDLO N#Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000421189006 428982851 /nfs/dbraw/zinc/98/28/51/428982851.db2.gz YHDVAEKVQAIIKD-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846779 428996691 /nfs/dbraw/zinc/99/66/91/428996691.db2.gz WZLKBXJWZSJRLE-IRXDYDNUSA-N 1 2 315.417 2.861 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846779 428996696 /nfs/dbraw/zinc/99/66/96/428996696.db2.gz WZLKBXJWZSJRLE-IRXDYDNUSA-N 1 2 315.417 2.861 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000376117687 429060450 /nfs/dbraw/zinc/06/04/50/429060450.db2.gz SEQVVUOZSIUADN-LBPRGKRZSA-N 1 2 314.776 2.575 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000494679790 429143106 /nfs/dbraw/zinc/14/31/06/429143106.db2.gz GLEAAWDJYXIJOX-UHFFFAOYSA-N 1 2 317.414 2.875 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000494679790 429143112 /nfs/dbraw/zinc/14/31/12/429143112.db2.gz GLEAAWDJYXIJOX-UHFFFAOYSA-N 1 2 317.414 2.875 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000424531005 429149269 /nfs/dbraw/zinc/14/92/69/429149269.db2.gz LUWDHRKYKSWJTK-OAGGEKHMSA-N 1 2 317.433 2.938 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)cs2)nn1 ZINC000424168452 429103848 /nfs/dbraw/zinc/10/38/48/429103848.db2.gz FTXNAWPOTXMRJO-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000424294285 429121069 /nfs/dbraw/zinc/12/10/69/429121069.db2.gz KFVLOSGYGLMXJU-GFCCVEGCSA-N 1 2 301.350 2.532 20 30 DFEDLO C=CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452781843 429139338 /nfs/dbraw/zinc/13/93/38/429139338.db2.gz IWDMLNAKFCSTPS-UHFFFAOYSA-N 1 2 314.345 2.723 20 30 DFEDLO C=C(CC)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000454368303 429165056 /nfs/dbraw/zinc/16/50/56/429165056.db2.gz CMSLTGCIJSVQNX-UHFFFAOYSA-N 1 2 302.353 2.777 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000424652123 429169667 /nfs/dbraw/zinc/16/96/67/429169667.db2.gz ZRLAKSNDLJFSKD-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454774302 429172662 /nfs/dbraw/zinc/17/26/62/429172662.db2.gz YWWAKRZYBATSPD-AWEZNQCLSA-N 1 2 310.401 2.528 20 30 DFEDLO Cc1cc(C)c(CNC(=O)NCCc2cccc(C#N)c2)c[nH+]1 ZINC000454939490 429176228 /nfs/dbraw/zinc/17/62/28/429176228.db2.gz UVTKZBWUESCCEV-UHFFFAOYSA-N 1 2 308.385 2.612 20 30 DFEDLO C=CCC1(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CCOCC1 ZINC000424731221 429181713 /nfs/dbraw/zinc/18/17/13/429181713.db2.gz FSSCQWXLIHSOCI-HNNXBMFYSA-N 1 2 317.433 2.558 20 30 DFEDLO Cc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000489006093 429213333 /nfs/dbraw/zinc/21/33/33/429213333.db2.gz DHZHTGPINWJEBG-QGZVFWFLSA-N 1 2 312.442 2.890 20 30 DFEDLO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000489006093 429213337 /nfs/dbraw/zinc/21/33/37/429213337.db2.gz DHZHTGPINWJEBG-QGZVFWFLSA-N 1 2 312.442 2.890 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C\c2cccc(OC)c2O)C1 ZINC000495533835 429218789 /nfs/dbraw/zinc/21/87/89/429218789.db2.gz OLMNFIUKLYSHKT-XDNFDDDSSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489189549 429222458 /nfs/dbraw/zinc/22/24/58/429222458.db2.gz QSURHLBXZXQPQO-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489189549 429222461 /nfs/dbraw/zinc/22/24/61/429222461.db2.gz QSURHLBXZXQPQO-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CC[N@H+](Cc1ncc(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315936 429229449 /nfs/dbraw/zinc/22/94/49/429229449.db2.gz CVPMXQOHSQVEAG-CQSZACIVSA-N 1 2 324.388 2.708 20 30 DFEDLO C=CC[N@@H+](Cc1ncc(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315936 429229454 /nfs/dbraw/zinc/22/94/54/429229454.db2.gz CVPMXQOHSQVEAG-CQSZACIVSA-N 1 2 324.388 2.708 20 30 DFEDLO N#CC1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000441160250 429230001 /nfs/dbraw/zinc/23/00/01/429230001.db2.gz XBAJFUWZYZZSDZ-UHFFFAOYSA-N 1 2 308.385 2.932 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455708365 429201879 /nfs/dbraw/zinc/20/18/79/429201879.db2.gz TWRXRVIKYIMZLY-LLVKDONJSA-N 1 2 317.780 2.813 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000425138156 429238156 /nfs/dbraw/zinc/23/81/56/429238156.db2.gz YKPQRSQAAGRUGT-XJKSGUPXSA-N 1 2 308.385 2.537 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442830399 429239852 /nfs/dbraw/zinc/23/98/52/429239852.db2.gz SGBXAZWXKJBJMV-KDOFPFPSSA-N 1 2 324.465 2.511 20 30 DFEDLO Cc1cc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425230436 429247896 /nfs/dbraw/zinc/24/78/96/429247896.db2.gz CBERJFMYZILEHP-CYBMUJFWSA-N 1 2 301.390 2.820 20 30 DFEDLO C[C@@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000425237577 429250088 /nfs/dbraw/zinc/25/00/88/429250088.db2.gz LNMXLVOATQZLAQ-DOMZBBRYSA-N 1 2 311.345 2.750 20 30 DFEDLO Cc1cc(N2CCCN3c4ccccc4C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000425268187 429254833 /nfs/dbraw/zinc/25/48/33/429254833.db2.gz NOUCULIZEZXWLL-QGZVFWFLSA-N 1 2 304.397 2.903 20 30 DFEDLO C=CCN(Cc1c[nH+]c(N(C)C)n1C)Cc1cccc(C#N)c1 ZINC000425326982 429264479 /nfs/dbraw/zinc/26/44/79/429264479.db2.gz PAOOLDDNRWSJOK-UHFFFAOYSA-N 1 2 309.417 2.546 20 30 DFEDLO C=CC[N@H+](CC1(C)COC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444686057 429275639 /nfs/dbraw/zinc/27/56/39/429275639.db2.gz UTXZFRMSMAHFJS-QGZVFWFLSA-N 1 2 317.429 2.685 20 30 DFEDLO C=CC[N@@H+](CC1(C)COC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444686057 429275642 /nfs/dbraw/zinc/27/56/42/429275642.db2.gz UTXZFRMSMAHFJS-QGZVFWFLSA-N 1 2 317.429 2.685 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@H](C)c2[nH+]ccn2CC)cc1 ZINC000456345259 429280826 /nfs/dbraw/zinc/28/08/26/429280826.db2.gz HZBUBAKKIPNZKK-CQSZACIVSA-N 1 2 313.401 2.888 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772786 429317972 /nfs/dbraw/zinc/31/79/72/429317972.db2.gz UQKUGVYYRSLZRT-WQGACYEGSA-N 1 2 318.446 2.863 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772786 429317976 /nfs/dbraw/zinc/31/79/76/429317976.db2.gz UQKUGVYYRSLZRT-WQGACYEGSA-N 1 2 318.446 2.863 20 30 DFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CC3(C#N)CC3)[C@@H]2C1 ZINC000497131005 429319559 /nfs/dbraw/zinc/31/95/59/429319559.db2.gz MMBZYYFYORNFMR-UONOGXRCSA-N 1 2 305.422 2.621 20 30 DFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CC3(C#N)CC3)[C@@H]2C1 ZINC000497131005 429319565 /nfs/dbraw/zinc/31/95/65/429319565.db2.gz MMBZYYFYORNFMR-UONOGXRCSA-N 1 2 305.422 2.621 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000365510879 429330759 /nfs/dbraw/zinc/33/07/59/429330759.db2.gz CIVWXILIYAMWDD-CQSZACIVSA-N 1 2 309.373 2.703 20 30 DFEDLO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456743341 429344016 /nfs/dbraw/zinc/34/40/16/429344016.db2.gz FUUJSNBJHXWSAN-IRXDYDNUSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456743341 429344020 /nfs/dbraw/zinc/34/40/20/429344020.db2.gz FUUJSNBJHXWSAN-IRXDYDNUSA-N 1 2 315.417 2.581 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445984533 429294696 /nfs/dbraw/zinc/29/46/96/429294696.db2.gz ABWJUPHKBATSKO-MRXNPFEDSA-N 1 2 304.821 2.538 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445984533 429294700 /nfs/dbraw/zinc/29/47/00/429294700.db2.gz ABWJUPHKBATSKO-MRXNPFEDSA-N 1 2 304.821 2.538 20 30 DFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C(C)(C)C#N)CC[C@@H]2C1 ZINC000495982694 429302432 /nfs/dbraw/zinc/30/24/32/429302432.db2.gz PAMXWTPWDPDJMS-OKILXGFUSA-N 1 2 307.438 2.867 20 30 DFEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C(C)(C)C#N)CC[C@@H]2C1 ZINC000495982694 429302437 /nfs/dbraw/zinc/30/24/37/429302437.db2.gz PAMXWTPWDPDJMS-OKILXGFUSA-N 1 2 307.438 2.867 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)c2[nH+]ccn21 ZINC000456440259 429307888 /nfs/dbraw/zinc/30/78/88/429307888.db2.gz YKIDWXVUKCWEOQ-FVQBIDKESA-N 1 2 308.385 2.778 20 30 DFEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000365397103 429311325 /nfs/dbraw/zinc/31/13/25/429311325.db2.gz TVXRDBPDXPDZIB-UHFFFAOYSA-N 1 2 307.463 2.706 20 30 DFEDLO C=CCCC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000365397103 429311329 /nfs/dbraw/zinc/31/13/29/429311329.db2.gz TVXRDBPDXPDZIB-UHFFFAOYSA-N 1 2 307.463 2.706 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1F ZINC000496614586 429314997 /nfs/dbraw/zinc/31/49/97/429314997.db2.gz LROFFWNCAQXMSE-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1F ZINC000496614586 429315001 /nfs/dbraw/zinc/31/50/01/429315001.db2.gz LROFFWNCAQXMSE-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496814780 429316646 /nfs/dbraw/zinc/31/66/46/429316646.db2.gz LLESDFBAFIVXTJ-LBPRGKRZSA-N 1 2 322.434 2.504 20 30 DFEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496814780 429316652 /nfs/dbraw/zinc/31/66/52/429316652.db2.gz LLESDFBAFIVXTJ-LBPRGKRZSA-N 1 2 322.434 2.504 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000491739307 429400292 /nfs/dbraw/zinc/40/02/92/429400292.db2.gz PVOZUNFYYSLWKM-NSHDSACASA-N 1 2 300.383 2.992 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000491739307 429400297 /nfs/dbraw/zinc/40/02/97/429400297.db2.gz PVOZUNFYYSLWKM-NSHDSACASA-N 1 2 300.383 2.992 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)CC2=Cc3ccccc3OC2)n1 ZINC000491747546 429402460 /nfs/dbraw/zinc/40/24/60/429402460.db2.gz WTFJRYJVMRGNBQ-UHFFFAOYSA-N 1 2 307.397 2.814 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)CC2=Cc3ccccc3OC2)n1 ZINC000491747546 429402461 /nfs/dbraw/zinc/40/24/61/429402461.db2.gz WTFJRYJVMRGNBQ-UHFFFAOYSA-N 1 2 307.397 2.814 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)cc2C)n1 ZINC000491773013 429405990 /nfs/dbraw/zinc/40/59/90/429405990.db2.gz UPPKKVOLEGGLAJ-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)cc2C)n1 ZINC000491773013 429405993 /nfs/dbraw/zinc/40/59/93/429405993.db2.gz UPPKKVOLEGGLAJ-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CC[N@H+](CC#CC)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491774490 429407316 /nfs/dbraw/zinc/40/73/16/429407316.db2.gz DCHSXIFXCGZJKR-UHFFFAOYSA-N 1 2 305.381 2.611 20 30 DFEDLO C#CC[N@@H+](CC#CC)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491774490 429407320 /nfs/dbraw/zinc/40/73/20/429407320.db2.gz DCHSXIFXCGZJKR-UHFFFAOYSA-N 1 2 305.381 2.611 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000365946656 429407440 /nfs/dbraw/zinc/40/74/40/429407440.db2.gz FIHTUDQGWHQMMH-BZUAXINKSA-N 1 2 317.433 2.556 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(CF)cc2)n1 ZINC000491325528 429348507 /nfs/dbraw/zinc/34/85/07/429348507.db2.gz DIVZSGRLFDRFKL-UHFFFAOYSA-N 1 2 315.392 2.634 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(CF)cc2)n1 ZINC000491325528 429348510 /nfs/dbraw/zinc/34/85/10/429348510.db2.gz DIVZSGRLFDRFKL-UHFFFAOYSA-N 1 2 315.392 2.634 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(CC)s2)n1 ZINC000491359639 429351860 /nfs/dbraw/zinc/35/18/60/429351860.db2.gz AKGNTMWKWSKRLI-UHFFFAOYSA-N 1 2 317.458 2.789 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(CC)s2)n1 ZINC000491359639 429351863 /nfs/dbraw/zinc/35/18/63/429351863.db2.gz AKGNTMWKWSKRLI-UHFFFAOYSA-N 1 2 317.458 2.789 20 30 DFEDLO C#CC[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000491381348 429355026 /nfs/dbraw/zinc/35/50/26/429355026.db2.gz DEVQXFDUXROMPV-UHFFFAOYSA-N 1 2 310.788 2.515 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365679159 429359420 /nfs/dbraw/zinc/35/94/20/429359420.db2.gz LAFZNWQVVGDTMW-CGTJXYLNSA-N 1 2 313.445 2.919 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365679159 429359424 /nfs/dbraw/zinc/35/94/24/429359424.db2.gz LAFZNWQVVGDTMW-CGTJXYLNSA-N 1 2 313.445 2.919 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000491538016 429372928 /nfs/dbraw/zinc/37/29/28/429372928.db2.gz WCHFNECGZRZQGD-ZIAGYGMSSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1 ZINC000491538016 429372932 /nfs/dbraw/zinc/37/29/32/429372932.db2.gz WCHFNECGZRZQGD-ZIAGYGMSSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C(C)(C)C ZINC000491621633 429380105 /nfs/dbraw/zinc/38/01/05/429380105.db2.gz OINIJPZXDSURBZ-QWRGUYRKSA-N 1 2 315.339 2.620 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(F)cc1 ZINC000491628955 429382488 /nfs/dbraw/zinc/38/24/88/429382488.db2.gz LSXPFCZMOZFOAY-UGFHNGPFSA-N 1 2 312.348 2.702 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000491637907 429383051 /nfs/dbraw/zinc/38/30/51/429383051.db2.gz YSKSARNWQHLHLG-VQHVLOKHSA-N 1 2 324.384 2.960 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000491637907 429383058 /nfs/dbraw/zinc/38/30/58/429383058.db2.gz YSKSARNWQHLHLG-VQHVLOKHSA-N 1 2 324.384 2.960 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cn2ccccc12 ZINC000516924785 429385402 /nfs/dbraw/zinc/38/54/02/429385402.db2.gz YDEOLYRPYVNISF-KRWDZBQOSA-N 1 2 313.426 2.519 20 30 DFEDLO N#Cc1c(C[N@H+]2CCO[C@@]3(CCSC3)C2)cn2ccccc12 ZINC000516924785 429385405 /nfs/dbraw/zinc/38/54/05/429385405.db2.gz YDEOLYRPYVNISF-KRWDZBQOSA-N 1 2 313.426 2.519 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(Cl)cc1 ZINC000491645585 429385407 /nfs/dbraw/zinc/38/54/07/429385407.db2.gz PBQGRKQNSTWLNO-OAHLLOKOSA-N 1 2 315.804 2.834 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000426403190 429388997 /nfs/dbraw/zinc/38/89/97/429388997.db2.gz FMTDUKRAEJFRMC-UHFFFAOYSA-N 1 2 303.387 2.900 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000426403190 429389000 /nfs/dbraw/zinc/38/90/00/429389000.db2.gz FMTDUKRAEJFRMC-UHFFFAOYSA-N 1 2 303.387 2.900 20 30 DFEDLO N#C[C@H]1N(Cc2cccc3[nH+]ccn32)CCC[C@]12CCCCO2 ZINC000366151111 429426295 /nfs/dbraw/zinc/42/62/95/429426295.db2.gz INCCGHLQMAYKDK-SJLPKXTDSA-N 1 2 310.401 2.762 20 30 DFEDLO C=CCC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)C(=O)OCC ZINC000449655728 429471446 /nfs/dbraw/zinc/47/14/46/429471446.db2.gz HQYNCOQXCVEILU-MRXNPFEDSA-N 1 2 317.433 2.538 20 30 DFEDLO C=C(CC)CS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427850887 429473859 /nfs/dbraw/zinc/47/38/59/429473859.db2.gz QRYYCNXCHNWLLR-OAHLLOKOSA-N 1 2 319.474 2.818 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(F)cc1OCC#N ZINC000492407094 429530911 /nfs/dbraw/zinc/53/09/11/429530911.db2.gz JCQJXGDPQLHFBN-AATRIKPKSA-N 1 2 314.320 2.596 20 30 DFEDLO COC(=O)N1CCC([C@H](C)/[NH+]=C\c2cc(OC)ccc2O)CC1 ZINC000492531562 429558646 /nfs/dbraw/zinc/55/86/46/429558646.db2.gz MFXRBIQUNMGYOG-SJWFJVLYSA-N 1 2 320.389 2.687 20 30 DFEDLO CC(C)n1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000367057364 429567129 /nfs/dbraw/zinc/56/71/29/429567129.db2.gz IWFLNUDFLXWIGQ-UHFFFAOYSA-N 1 2 309.417 2.916 20 30 DFEDLO CCc1nnc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)[nH]1 ZINC000428983130 429567189 /nfs/dbraw/zinc/56/71/89/429567189.db2.gz DNEOUURIWMIQMF-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428983130 429567190 /nfs/dbraw/zinc/56/71/90/429567190.db2.gz DNEOUURIWMIQMF-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n[nH]1 ZINC000428983130 429567195 /nfs/dbraw/zinc/56/71/95/429567195.db2.gz DNEOUURIWMIQMF-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000458322066 429620177 /nfs/dbraw/zinc/62/01/77/429620177.db2.gz YEEAFQYFWPQCJN-HOTGVXAUSA-N 1 2 323.481 2.674 20 30 DFEDLO Cc1cc(C#N)nc(N[C@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000367520038 429663466 /nfs/dbraw/zinc/66/34/66/429663466.db2.gz TVSKAKCLQSEKGG-HNNXBMFYSA-N 1 2 322.347 2.731 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)c1 ZINC000367518871 429664196 /nfs/dbraw/zinc/66/41/96/429664196.db2.gz KRGBZWQCNIUJJV-AWEZNQCLSA-N 1 2 306.369 2.507 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)[C@H]3CCCc4[nH]c[nH+]c43)CC2)c1 ZINC000367518871 429664199 /nfs/dbraw/zinc/66/41/99/429664199.db2.gz KRGBZWQCNIUJJV-AWEZNQCLSA-N 1 2 306.369 2.507 20 30 DFEDLO COCCn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367466799 429654113 /nfs/dbraw/zinc/65/41/13/429654113.db2.gz BJSJHRYPPUQREB-MOPGFXCFSA-N 1 2 324.428 2.801 20 30 DFEDLO COCCn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367466799 429654116 /nfs/dbraw/zinc/65/41/16/429654116.db2.gz BJSJHRYPPUQREB-MOPGFXCFSA-N 1 2 324.428 2.801 20 30 DFEDLO Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000493108158 429690258 /nfs/dbraw/zinc/69/02/58/429690258.db2.gz RHGMVXKRHMLCFF-KXPUMZMLSA-N 1 2 305.809 2.622 20 30 DFEDLO COc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccn1 ZINC000459532900 429699868 /nfs/dbraw/zinc/69/98/68/429699868.db2.gz OILVPYWWCKUXGB-LLVKDONJSA-N 1 2 312.329 2.721 20 30 DFEDLO CO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459507919 429700107 /nfs/dbraw/zinc/70/01/07/429700107.db2.gz KAYCBWXABLJHIM-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO CO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459507919 429700110 /nfs/dbraw/zinc/70/01/10/429700110.db2.gz KAYCBWXABLJHIM-HNNXBMFYSA-N 1 2 303.362 2.713 20 30 DFEDLO C=CCC1(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCCC1 ZINC000450840927 429712168 /nfs/dbraw/zinc/71/21/68/429712168.db2.gz ATIASZFRXDKLQB-HNNXBMFYSA-N 1 2 316.449 2.986 20 30 DFEDLO C=CCC1(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCCC1 ZINC000450840927 429712171 /nfs/dbraw/zinc/71/21/71/429712171.db2.gz ATIASZFRXDKLQB-HNNXBMFYSA-N 1 2 316.449 2.986 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000450894719 429723131 /nfs/dbraw/zinc/72/31/31/429723131.db2.gz KBOPWSONOHYRPN-STQMWFEESA-N 1 2 310.438 2.989 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000450894719 429723134 /nfs/dbraw/zinc/72/31/34/429723134.db2.gz KBOPWSONOHYRPN-STQMWFEESA-N 1 2 310.438 2.989 20 30 DFEDLO C=CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000367821935 429724167 /nfs/dbraw/zinc/72/41/67/429724167.db2.gz PGMDBZXVHITOLM-HOTGVXAUSA-N 1 2 321.371 2.728 20 30 DFEDLO C=CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000367821935 429724169 /nfs/dbraw/zinc/72/41/69/429724169.db2.gz PGMDBZXVHITOLM-HOTGVXAUSA-N 1 2 321.371 2.728 20 30 DFEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451283710 429802215 /nfs/dbraw/zinc/80/22/15/429802215.db2.gz NYLSGMOKBYWQQD-PMACEKPBSA-N 1 2 309.384 2.838 20 30 DFEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451283710 429802219 /nfs/dbraw/zinc/80/22/19/429802219.db2.gz NYLSGMOKBYWQQD-PMACEKPBSA-N 1 2 309.384 2.838 20 30 DFEDLO CCc1ccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000527377829 429747497 /nfs/dbraw/zinc/74/74/97/429747497.db2.gz MTNNSWMTANQYFE-UHFFFAOYSA-N 1 2 323.440 2.901 20 30 DFEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000527377829 429747502 /nfs/dbraw/zinc/74/75/02/429747502.db2.gz MTNNSWMTANQYFE-UHFFFAOYSA-N 1 2 323.440 2.901 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc(OCC#N)cc2)[nH+]1 ZINC000493432065 429761750 /nfs/dbraw/zinc/76/17/50/429761750.db2.gz KHQKLBLTQIEBNQ-RMKNXTFCSA-N 1 2 324.384 2.685 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000494215107 429860427 /nfs/dbraw/zinc/86/04/27/429860427.db2.gz GGYQZENNCNMOKJ-MRXNPFEDSA-N 1 2 314.433 2.932 20 30 DFEDLO N#Cc1c(C[N@@H+](CCO)Cc2cccc(F)c2)cn2ccccc12 ZINC000494289513 429865435 /nfs/dbraw/zinc/86/54/35/429865435.db2.gz CCJXBJYVPPASHT-UHFFFAOYSA-N 1 2 323.371 2.945 20 30 DFEDLO N#Cc1c(C[N@H+](CCO)Cc2cccc(F)c2)cn2ccccc12 ZINC000494289513 429865438 /nfs/dbraw/zinc/86/54/38/429865438.db2.gz CCJXBJYVPPASHT-UHFFFAOYSA-N 1 2 323.371 2.945 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528361965 429879604 /nfs/dbraw/zinc/87/96/04/429879604.db2.gz AXXWLCYSNCBRKJ-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528361814 429879682 /nfs/dbraw/zinc/87/96/82/429879682.db2.gz BIQYAJKXWBEUKU-HNNXBMFYSA-N 1 2 321.783 2.820 20 30 DFEDLO CCc1nc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368683310 429886626 /nfs/dbraw/zinc/88/66/26/429886626.db2.gz DNMHZIBOWNRXQJ-HNNXBMFYSA-N 1 2 311.389 2.580 20 30 DFEDLO CCc1nc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368683310 429886627 /nfs/dbraw/zinc/88/66/27/429886627.db2.gz DNMHZIBOWNRXQJ-HNNXBMFYSA-N 1 2 311.389 2.580 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504105 429894779 /nfs/dbraw/zinc/89/47/79/429894779.db2.gz MNKSXYSXKUWLKK-ZIAGYGMSSA-N 1 2 317.437 2.510 20 30 DFEDLO CC(C)c1nnc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504105 429894780 /nfs/dbraw/zinc/89/47/80/429894780.db2.gz MNKSXYSXKUWLKK-ZIAGYGMSSA-N 1 2 317.437 2.510 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000369047311 429908491 /nfs/dbraw/zinc/90/84/91/429908491.db2.gz JXEZXVBSYLMPFL-KRWDZBQOSA-N 1 2 320.396 2.901 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000369047311 429908493 /nfs/dbraw/zinc/90/84/93/429908493.db2.gz JXEZXVBSYLMPFL-KRWDZBQOSA-N 1 2 320.396 2.901 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1C#N ZINC000369117538 429914070 /nfs/dbraw/zinc/91/40/70/429914070.db2.gz QOPZJRNHVOSOFS-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1C#N ZINC000369117538 429914072 /nfs/dbraw/zinc/91/40/72/429914072.db2.gz QOPZJRNHVOSOFS-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO CCc1nnc(N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1CC ZINC000369312664 429923275 /nfs/dbraw/zinc/92/32/75/429923275.db2.gz RAOBNTQYRKBWRN-UHFFFAOYSA-N 1 2 324.432 2.642 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc1 ZINC000573208338 429934321 /nfs/dbraw/zinc/93/43/21/429934321.db2.gz DAQKXAFRDXECKV-UHFFFAOYSA-N 1 2 323.440 2.783 20 30 DFEDLO CC(F)(F)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000573270313 429939398 /nfs/dbraw/zinc/93/93/98/429939398.db2.gz OBBQCGBGEROQGM-UHFFFAOYSA-N 1 2 305.332 2.604 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000574133811 430012966 /nfs/dbraw/zinc/01/29/66/430012966.db2.gz NBMJFYGUNJOMJK-CZUORRHYSA-N 1 2 311.385 2.813 20 30 DFEDLO CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000575049566 430054641 /nfs/dbraw/zinc/05/46/41/430054641.db2.gz GTMBEWYKSBWCBE-BEFAXECRSA-N 1 2 315.461 2.949 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580777312 430151593 /nfs/dbraw/zinc/15/15/93/430151593.db2.gz PKFBFIGARMONFL-ZDUSSCGKSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580777312 430151595 /nfs/dbraw/zinc/15/15/95/430151595.db2.gz PKFBFIGARMONFL-ZDUSSCGKSA-N 1 2 314.838 2.528 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000562588917 430151865 /nfs/dbraw/zinc/15/18/65/430151865.db2.gz RLKWOKOEPMVFEV-XUJVJEKNSA-N 1 2 309.373 2.821 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000563220861 430179995 /nfs/dbraw/zinc/17/99/95/430179995.db2.gz XECHQSPJSBAWQO-LJQANCHMSA-N 1 2 322.412 2.686 20 30 DFEDLO CCN1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480242 430117316 /nfs/dbraw/zinc/11/73/16/430117316.db2.gz JOZDIGWBXJFQDC-OAHLLOKOSA-N 1 2 315.808 2.818 20 30 DFEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000578428877 430120705 /nfs/dbraw/zinc/12/07/05/430120705.db2.gz MDEZYNFKXPGUIT-OAHLLOKOSA-N 1 2 323.787 3.542 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000562383734 430126321 /nfs/dbraw/zinc/12/63/21/430126321.db2.gz XYVDFRHLZZQDTJ-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000562383734 430126326 /nfs/dbraw/zinc/12/63/26/430126326.db2.gz XYVDFRHLZZQDTJ-GOSISDBHSA-N 1 2 320.396 2.581 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562479404 430136835 /nfs/dbraw/zinc/13/68/35/430136835.db2.gz ZEFYWOWAKURWRV-QZTJIDSGSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562479404 430136838 /nfs/dbraw/zinc/13/68/38/430136838.db2.gz ZEFYWOWAKURWRV-QZTJIDSGSA-N 1 2 321.380 2.657 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000580624833 430138715 /nfs/dbraw/zinc/13/87/15/430138715.db2.gz YJYCJOQPDKWVNG-SNVBAGLBSA-N 1 2 302.765 2.919 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC#N)CC1 ZINC000541023004 430182672 /nfs/dbraw/zinc/18/26/72/430182672.db2.gz PFESXBFYAYWXNS-NSHDSACASA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000563382286 430183173 /nfs/dbraw/zinc/18/31/73/430183173.db2.gz DZZIGUHGZMTBQI-HZMBPMFUSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000563382286 430183178 /nfs/dbraw/zinc/18/31/78/430183178.db2.gz DZZIGUHGZMTBQI-HZMBPMFUSA-N 1 2 302.765 2.623 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563370852 430183676 /nfs/dbraw/zinc/18/36/76/430183676.db2.gz BDJUUIHHSYRQMT-LLVKDONJSA-N 1 2 303.328 2.881 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000563367416 430184279 /nfs/dbraw/zinc/18/42/79/430184279.db2.gz NSVFQDLKVYMGIK-LSDHHAIUSA-N 1 2 303.381 2.911 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccccc1CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000563397417 430187517 /nfs/dbraw/zinc/18/75/17/430187517.db2.gz HAAXNXJWODUAGV-RDJZCZTQSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccccc1CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000563397417 430187522 /nfs/dbraw/zinc/18/75/22/430187522.db2.gz HAAXNXJWODUAGV-RDJZCZTQSA-N 1 2 315.417 2.581 20 30 DFEDLO C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000564730897 430196891 /nfs/dbraw/zinc/19/68/91/430196891.db2.gz IGDUGXJHEPLKTG-FZMZJTMJSA-N 1 2 302.765 2.869 20 30 DFEDLO C[C@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000564730891 430197270 /nfs/dbraw/zinc/19/72/70/430197270.db2.gz IGDUGXJHEPLKTG-BXUZGUMPSA-N 1 2 302.765 2.869 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000581584482 430222003 /nfs/dbraw/zinc/22/20/03/430222003.db2.gz TZLDPTBKIRKERY-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000566428482 430259878 /nfs/dbraw/zinc/25/98/78/430259878.db2.gz GHFXKVRJDSUGTA-JQWIXIFHSA-N 1 2 309.797 2.957 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000566429450 430259902 /nfs/dbraw/zinc/25/99/02/430259902.db2.gz VPMZAQBWGBORFT-NSHDSACASA-N 1 2 324.222 2.978 20 30 DFEDLO C=CCN(C(=O)C[NH+]1CC(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000566446648 430261930 /nfs/dbraw/zinc/26/19/30/430261930.db2.gz NLDMZYQYHICZQT-UHFFFAOYSA-N 1 2 319.474 2.883 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000566665464 430271368 /nfs/dbraw/zinc/27/13/68/430271368.db2.gz ATFGHUIWJJIGAX-HOTGVXAUSA-N 1 2 324.428 2.754 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000566665464 430271370 /nfs/dbraw/zinc/27/13/70/430271370.db2.gz ATFGHUIWJJIGAX-HOTGVXAUSA-N 1 2 324.428 2.754 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccccc1Cl ZINC000567995190 430303422 /nfs/dbraw/zinc/30/34/22/430303422.db2.gz DFTSTQDDFFMZKY-MRXNPFEDSA-N 1 2 307.825 2.623 20 30 DFEDLO Cc1ccc2c(c1)scc2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995940 430303838 /nfs/dbraw/zinc/30/38/38/430303838.db2.gz ZKHYQJVCFIBBAV-MRXNPFEDSA-N 1 2 301.415 2.783 20 30 DFEDLO C=CC1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635549011 430304175 /nfs/dbraw/zinc/30/41/75/430304175.db2.gz XWFFVKZJLVSUQR-GOSISDBHSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635549011 430304180 /nfs/dbraw/zinc/30/41/80/430304180.db2.gz XWFFVKZJLVSUQR-GOSISDBHSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CCCCN(C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635585790 430315794 /nfs/dbraw/zinc/31/57/94/430315794.db2.gz YLEHVEMGZDWDCH-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO C=CCCCN(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635585790 430315798 /nfs/dbraw/zinc/31/57/98/430315798.db2.gz YLEHVEMGZDWDCH-QGZVFWFLSA-N 1 2 302.418 2.694 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000568182416 430326514 /nfs/dbraw/zinc/32/65/14/430326514.db2.gz OGVZGYYQJFSORM-QGZVFWFLSA-N 1 2 315.461 2.925 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000583647852 430414700 /nfs/dbraw/zinc/41/47/00/430414700.db2.gz KOHAKLADUIVGLE-GFCCVEGCSA-N 1 2 322.290 2.966 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507418 430364398 /nfs/dbraw/zinc/36/43/98/430364398.db2.gz XEXIDBDPIQQUHH-KGLIPLIRSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507418 430364400 /nfs/dbraw/zinc/36/44/00/430364400.db2.gz XEXIDBDPIQQUHH-KGLIPLIRSA-N 1 2 313.401 2.529 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000584122246 430461909 /nfs/dbraw/zinc/46/19/09/430461909.db2.gz LMBQGMJBMJBDRM-WDEREUQCSA-N 1 2 302.403 2.905 20 30 DFEDLO CCC(C)(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000584175876 430465999 /nfs/dbraw/zinc/46/59/99/430465999.db2.gz ORMPLYNFAQVAJQ-SFHVURJKSA-N 1 2 301.434 2.948 20 30 DFEDLO N#Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)sc1Cl ZINC000596078488 430505459 /nfs/dbraw/zinc/50/54/59/430505459.db2.gz RDCCPXMNRZYWEV-UHFFFAOYSA-N 1 2 319.821 3.144 20 30 DFEDLO CCc1nc(C#N)cc(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000596109090 430507155 /nfs/dbraw/zinc/50/71/55/430507155.db2.gz KOPVNCPVWABYNS-UHFFFAOYSA-N 1 2 308.389 3.404 20 30 DFEDLO C=C[C@@H](CC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000570166407 430519965 /nfs/dbraw/zinc/51/99/65/430519965.db2.gz OTTVCZFIONZZFZ-DZGCQCFKSA-N 1 2 308.372 2.707 20 30 DFEDLO C=CCc1cc(CNc2cc(CC)[nH+]cn2)cc(OC)c1OC ZINC000603386276 430548743 /nfs/dbraw/zinc/54/87/43/430548743.db2.gz ONSKCMNKYJGAMJ-UHFFFAOYSA-N 1 2 313.401 3.397 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc2c(c1C#N)CCC2 ZINC000570677118 430566131 /nfs/dbraw/zinc/56/61/31/430566131.db2.gz XUNNXWGEMUCTOX-UHFFFAOYSA-N 1 2 307.401 2.611 20 30 DFEDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cn1 ZINC000570884035 430585796 /nfs/dbraw/zinc/58/57/96/430585796.db2.gz NHNAYXZEVMWVOJ-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cn1 ZINC000570884035 430585799 /nfs/dbraw/zinc/58/57/99/430585799.db2.gz NHNAYXZEVMWVOJ-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981404 430593963 /nfs/dbraw/zinc/59/39/63/430593963.db2.gz MDKAPXDQUSTAGE-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981404 430593968 /nfs/dbraw/zinc/59/39/68/430593968.db2.gz MDKAPXDQUSTAGE-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(N)c2ccccc2[nH+]1 ZINC000553334175 430614977 /nfs/dbraw/zinc/61/49/77/430614977.db2.gz UUNRKNHOCPWCNX-UHFFFAOYSA-N 1 2 324.384 2.880 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571293779 430617988 /nfs/dbraw/zinc/61/79/88/430617988.db2.gz XNTHMAHHXXKHJV-CKEIUWERSA-N 1 2 300.406 2.861 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)s1 ZINC000571513281 430632820 /nfs/dbraw/zinc/63/28/20/430632820.db2.gz HCUGCJRBLHSZQG-INIZCTEOSA-N 1 2 317.458 2.891 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)s1 ZINC000571513281 430632823 /nfs/dbraw/zinc/63/28/23/430632823.db2.gz HCUGCJRBLHSZQG-INIZCTEOSA-N 1 2 317.458 2.891 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1Cl ZINC000639398946 430635130 /nfs/dbraw/zinc/63/51/30/430635130.db2.gz TTWZVWYFMBVDGR-ZDUSSCGKSA-N 1 2 313.850 2.815 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1Cl ZINC000639398946 430635132 /nfs/dbraw/zinc/63/51/32/430635132.db2.gz TTWZVWYFMBVDGR-ZDUSSCGKSA-N 1 2 313.850 2.815 20 30 DFEDLO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccc(C#N)cc1 ZINC000283175757 278266202 /nfs/dbraw/zinc/26/62/02/278266202.db2.gz PTYCHEKEWVNXRJ-NSHDSACASA-N 1 2 315.808 2.918 20 30 DFEDLO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccc(C#N)cc1 ZINC000283175752 278356692 /nfs/dbraw/zinc/35/66/92/278356692.db2.gz PTYCHEKEWVNXRJ-LLVKDONJSA-N 1 2 315.808 2.918 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000661506094 430741618 /nfs/dbraw/zinc/74/16/18/430741618.db2.gz FESGECZXUWWGSH-JGGQBBKZSA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000661572601 430762187 /nfs/dbraw/zinc/76/21/87/430762187.db2.gz TVHNFNAKEJWRQJ-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651329208 430766881 /nfs/dbraw/zinc/76/68/81/430766881.db2.gz SCQKFGKYXCWJRJ-INIZCTEOSA-N 1 2 312.417 2.921 20 30 DFEDLO C=CCCCCCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000654666511 430773393 /nfs/dbraw/zinc/77/33/93/430773393.db2.gz JMYLPDNVHAVYAV-OAHLLOKOSA-N 1 2 304.438 2.833 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000292382282 335089231 /nfs/dbraw/zinc/08/92/31/335089231.db2.gz BENJITZNTCUXJJ-UHFFFAOYSA-N 1 2 313.405 2.669 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000662076909 430950470 /nfs/dbraw/zinc/95/04/70/430950470.db2.gz YIAPEVORVUYHKT-UHFFFAOYSA-N 1 2 318.442 2.626 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC2(COC2)C1 ZINC000662076909 430950473 /nfs/dbraw/zinc/95/04/73/430950473.db2.gz YIAPEVORVUYHKT-UHFFFAOYSA-N 1 2 318.442 2.626 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000662088198 430953995 /nfs/dbraw/zinc/95/39/95/430953995.db2.gz ZUASGTBJJJHIPB-TXEJJXNPSA-N 1 2 320.462 2.957 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000662088198 430954002 /nfs/dbraw/zinc/95/40/02/430954002.db2.gz ZUASGTBJJJHIPB-TXEJJXNPSA-N 1 2 320.462 2.957 20 30 DFEDLO C=CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000665944216 431073043 /nfs/dbraw/zinc/07/30/43/431073043.db2.gz IMXCKMBEMYCQIQ-IRXDYDNUSA-N 1 2 310.401 2.987 20 30 DFEDLO C=CCC1(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CCOCC1 ZINC000665951667 431074290 /nfs/dbraw/zinc/07/42/90/431074290.db2.gz RLUVABOAYJZBRM-UHFFFAOYSA-N 1 2 314.389 2.890 20 30 DFEDLO C=CCCn1cc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)nn1 ZINC000655671169 431077425 /nfs/dbraw/zinc/07/74/25/431077425.db2.gz ZLPCCFOMFZHLPK-UHFFFAOYSA-N 1 2 322.294 2.666 20 30 DFEDLO C=CCOc1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000655818786 431163240 /nfs/dbraw/zinc/16/32/40/431163240.db2.gz HZHZTHCPSNAEBA-OAHLLOKOSA-N 1 2 314.389 2.511 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653056280 431246938 /nfs/dbraw/zinc/24/69/38/431246938.db2.gz LNUFZEDJKJSBFI-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CCC1(CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000656210098 431310557 /nfs/dbraw/zinc/31/05/57/431310557.db2.gz XYOPIAQLTCKWFC-HNNXBMFYSA-N 1 2 316.449 2.881 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000660341600 431389543 /nfs/dbraw/zinc/38/95/43/431389543.db2.gz ZLZLCVRFSSWYHH-AWEZNQCLSA-N 1 2 302.422 2.645 20 30 DFEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccc(OC)cc2)nn1 ZINC000653498261 431403628 /nfs/dbraw/zinc/40/36/28/431403628.db2.gz OTFDTCQCFZHRQM-UHFFFAOYSA-N 1 2 300.406 2.885 20 30 DFEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccc(OC)cc2)nn1 ZINC000653498261 431403635 /nfs/dbraw/zinc/40/36/35/431403635.db2.gz OTFDTCQCFZHRQM-UHFFFAOYSA-N 1 2 300.406 2.885 20 30 DFEDLO C=CCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000660388795 431408009 /nfs/dbraw/zinc/40/80/09/431408009.db2.gz YFFLVAOQEXNUTR-UHFFFAOYSA-N 1 2 302.422 2.693 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)nn1 ZINC000653593975 431451982 /nfs/dbraw/zinc/45/19/82/431451982.db2.gz YZYHMBLAXZXCDH-HNNXBMFYSA-N 1 2 300.410 2.531 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)nn1 ZINC000653593975 431451990 /nfs/dbraw/zinc/45/19/90/431451990.db2.gz YZYHMBLAXZXCDH-HNNXBMFYSA-N 1 2 300.410 2.531 20 30 DFEDLO C=CCCn1cc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)nn1 ZINC000656777115 431517322 /nfs/dbraw/zinc/51/73/22/431517322.db2.gz XJYDIMCEJJAPIX-UHFFFAOYSA-N 1 2 323.404 2.570 20 30 DFEDLO C=CCC1(NC(=O)NCc2ccc[nH+]c2N(C)C)CCCC1 ZINC000663625452 431483723 /nfs/dbraw/zinc/48/37/23/431483723.db2.gz TWPZLNDGTVXVJL-UHFFFAOYSA-N 1 2 302.422 2.836 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653835993 431548994 /nfs/dbraw/zinc/54/89/94/431548994.db2.gz SJDOETZALYSXSF-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653835993 431549003 /nfs/dbraw/zinc/54/90/03/431549003.db2.gz SJDOETZALYSXSF-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000664031822 431633989 /nfs/dbraw/zinc/63/39/89/431633989.db2.gz ILJVPJOAJHIWJJ-QWRGUYRKSA-N 1 2 312.211 2.859 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)nn1 ZINC000657326094 431677368 /nfs/dbraw/zinc/67/73/68/431677368.db2.gz SXQBXQWYXDUPQZ-MRXNPFEDSA-N 1 2 316.380 2.997 20 30 DFEDLO Cc1cc(N2CCCN(c3nccs3)CC2)c(C#N)c(C)[nH+]1 ZINC000301671347 280550097 /nfs/dbraw/zinc/55/00/97/280550097.db2.gz NZRUPXKKCPHXNK-UHFFFAOYSA-N 1 2 313.430 2.743 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(C#N)cs2)cn1 ZINC000191742641 294285703 /nfs/dbraw/zinc/28/57/03/294285703.db2.gz RMAOHDNSPHEWST-AWEZNQCLSA-N 1 2 304.444 2.643 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(C#N)cs2)cn1 ZINC000191742641 294285705 /nfs/dbraw/zinc/28/57/05/294285705.db2.gz RMAOHDNSPHEWST-AWEZNQCLSA-N 1 2 304.444 2.643 20 30 DFEDLO CC(C)c1ncc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000443062599 297214360 /nfs/dbraw/zinc/21/43/60/297214360.db2.gz LRYBJFFXOMZIBX-UHFFFAOYSA-N 1 2 320.400 2.751 20 30 DFEDLO CC(C)c1ncc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000443062599 297214362 /nfs/dbraw/zinc/21/43/62/297214362.db2.gz LRYBJFFXOMZIBX-UHFFFAOYSA-N 1 2 320.400 2.751 20 30 DFEDLO Cc1cc(C)c(C#N)c(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000514617806 300263436 /nfs/dbraw/zinc/26/34/36/300263436.db2.gz YKAJZICKESPIDA-KBPBESRZSA-N 1 2 305.447 2.771 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000535068629 301246673 /nfs/dbraw/zinc/24/66/73/301246673.db2.gz YJJRSYJZYAGHBF-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000535068629 301246676 /nfs/dbraw/zinc/24/66/76/301246676.db2.gz YJJRSYJZYAGHBF-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000535206497 301251091 /nfs/dbraw/zinc/25/10/91/301251091.db2.gz MCYWDXAQBJMRBD-UHFFFAOYSA-N 1 2 304.415 2.672 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000535206497 301251092 /nfs/dbraw/zinc/25/10/92/301251092.db2.gz MCYWDXAQBJMRBD-UHFFFAOYSA-N 1 2 304.415 2.672 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000538781853 301331742 /nfs/dbraw/zinc/33/17/42/301331742.db2.gz AXDQYJOSCYAYHR-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000538781853 301331744 /nfs/dbraw/zinc/33/17/44/301331744.db2.gz AXDQYJOSCYAYHR-ZDUSSCGKSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000538962290 301335616 /nfs/dbraw/zinc/33/56/16/301335616.db2.gz FQOMWBSYUNTGOW-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000538962290 301335619 /nfs/dbraw/zinc/33/56/19/301335619.db2.gz FQOMWBSYUNTGOW-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000564804265 302160085 /nfs/dbraw/zinc/16/00/85/302160085.db2.gz VUTQVKPQFXTNKM-UHFFFAOYSA-N 1 2 302.765 2.908 20 30 DFEDLO Cc1cccnc1[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000121031808 302243245 /nfs/dbraw/zinc/24/32/45/302243245.db2.gz VQLKWVYFXOVTOW-FUHWJXTLSA-N 1 2 322.412 2.775 20 30 DFEDLO N#Cc1cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370566471 303213180 /nfs/dbraw/zinc/21/31/80/303213180.db2.gz WNSPXNQXLHIVPR-LSDHHAIUSA-N 1 2 320.824 2.662 20 30 DFEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000184196339 316161527 /nfs/dbraw/zinc/16/15/27/316161527.db2.gz OGJBBOCMJFBWKA-SNVBAGLBSA-N 1 2 318.402 2.822 20 30 DFEDLO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000185074874 316178858 /nfs/dbraw/zinc/17/88/58/316178858.db2.gz YAPGHNUZFSUGCI-LBPRGKRZSA-N 1 2 318.402 2.904 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000560450872 317898772 /nfs/dbraw/zinc/89/87/72/317898772.db2.gz MEJMQMXLLHSRQN-QGZVFWFLSA-N 1 2 322.368 2.947 20 30 DFEDLO Cc1[nH+]c2cc(CNc3cncc(C#N)n3)ccc2n1C1CC1 ZINC000576003142 318098541 /nfs/dbraw/zinc/09/85/41/318098541.db2.gz LTLDBYXYRZIYHX-UHFFFAOYSA-N 1 2 304.357 2.953 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000576647223 318140583 /nfs/dbraw/zinc/14/05/83/318140583.db2.gz OZMYIRFLYUTGTF-GFCCVEGCSA-N 1 2 312.373 2.886 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000576647223 318140585 /nfs/dbraw/zinc/14/05/85/318140585.db2.gz OZMYIRFLYUTGTF-GFCCVEGCSA-N 1 2 312.373 2.886 20 30 DFEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccnc1 ZINC000578359182 318255500 /nfs/dbraw/zinc/25/55/00/318255500.db2.gz SSASZJSEKVMZBY-INIZCTEOSA-N 1 2 318.384 2.579 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccnc1 ZINC000578359182 318255503 /nfs/dbraw/zinc/25/55/03/318255503.db2.gz SSASZJSEKVMZBY-INIZCTEOSA-N 1 2 318.384 2.579 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000292675819 335093044 /nfs/dbraw/zinc/09/30/44/335093044.db2.gz GAYVTJHIKFTANT-OAHLLOKOSA-N 1 2 301.434 2.889 20 30 DFEDLO CC(C)c1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000195117212 323277899 /nfs/dbraw/zinc/27/78/99/323277899.db2.gz REJBOSWMXUJSAS-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000195117212 323277902 /nfs/dbraw/zinc/27/79/02/323277902.db2.gz REJBOSWMXUJSAS-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000570736729 332808727 /nfs/dbraw/zinc/80/87/27/332808727.db2.gz MXRYXACPNNWJDP-NXEZZACHSA-N 1 2 324.768 2.857 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000188099492 331542545 /nfs/dbraw/zinc/54/25/45/331542545.db2.gz UAVGOOIWAQRZFV-SFHVURJKSA-N 1 2 317.433 2.527 20 30 DFEDLO C#CC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000038624663 331561386 /nfs/dbraw/zinc/56/13/86/331561386.db2.gz CDGNWJXPLRJYBY-SFHVURJKSA-N 1 2 308.381 2.988 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000297812865 331607799 /nfs/dbraw/zinc/60/77/99/331607799.db2.gz PITIFBVNTNZYDP-CZUORRHYSA-N 1 2 300.358 2.768 20 30 DFEDLO C#C[C@H](NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC)C(C)C ZINC000297964210 331618506 /nfs/dbraw/zinc/61/85/06/331618506.db2.gz LKOMPHAYLGXBJN-GJZGRUSLSA-N 1 2 302.422 2.797 20 30 DFEDLO C#C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)C(C)C ZINC000297964218 331618511 /nfs/dbraw/zinc/61/85/11/331618511.db2.gz LKOMPHAYLGXBJN-HUUCEWRRSA-N 1 2 302.422 2.797 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255238184 331725779 /nfs/dbraw/zinc/72/57/79/331725779.db2.gz MOVMACDGFVPJRV-DAXSKMNVSA-N 1 2 309.325 2.644 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2n1C ZINC000558666847 331933670 /nfs/dbraw/zinc/93/36/70/331933670.db2.gz CPSUWPLVPOWYKP-UHFFFAOYSA-N 1 2 310.401 2.942 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1OCCCC#N ZINC000091815070 332112547 /nfs/dbraw/zinc/11/25/47/332112547.db2.gz ZOBINBMLAMHBPH-CQSZACIVSA-N 1 2 304.390 2.598 20 30 DFEDLO COc1ccc(C[N@H+]2CCOC[C@H]2C)cc1OCCCC#N ZINC000091815070 332112548 /nfs/dbraw/zinc/11/25/48/332112548.db2.gz ZOBINBMLAMHBPH-CQSZACIVSA-N 1 2 304.390 2.598 20 30 DFEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092034728 332118159 /nfs/dbraw/zinc/11/81/59/332118159.db2.gz PAJDPNJLYHNTJL-NSHDSACASA-N 1 2 315.402 2.983 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000092936232 332132444 /nfs/dbraw/zinc/13/24/44/332132444.db2.gz GGPXBGUUVNAMOW-UHFFFAOYSA-N 1 2 317.339 2.866 20 30 DFEDLO Cc1cc(C[NH+]2CCN(CC#N)CC2)c(OC(F)F)cc1C ZINC000092936484 332132509 /nfs/dbraw/zinc/13/25/09/332132509.db2.gz NLPWSNIHYBJXSQ-UHFFFAOYSA-N 1 2 309.360 2.546 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093100985 332134154 /nfs/dbraw/zinc/13/41/54/332134154.db2.gz SEKPRNZUCISBME-UHFFFAOYSA-N 1 2 304.438 2.868 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093100985 332134155 /nfs/dbraw/zinc/13/41/55/332134155.db2.gz SEKPRNZUCISBME-UHFFFAOYSA-N 1 2 304.438 2.868 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151384625 332202602 /nfs/dbraw/zinc/20/26/02/332202602.db2.gz QJEFSWIWYWLBLE-ZDUSSCGKSA-N 1 2 308.385 2.885 20 30 DFEDLO Cc1cccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250658 332302830 /nfs/dbraw/zinc/30/28/30/332302830.db2.gz UCAUWQBKINLVOK-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO Cc1cccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250658 332302836 /nfs/dbraw/zinc/30/28/36/332302836.db2.gz UCAUWQBKINLVOK-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293024450 335101711 /nfs/dbraw/zinc/10/17/11/335101711.db2.gz FTXKYWJVQLDPFB-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293024450 335101713 /nfs/dbraw/zinc/10/17/13/335101713.db2.gz FTXKYWJVQLDPFB-SNVBAGLBSA-N 1 2 309.753 2.530 20 30 DFEDLO C=CCC(F)(F)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000293282716 335103389 /nfs/dbraw/zinc/10/33/89/335103389.db2.gz YLUACHYIXNEHDY-UHFFFAOYSA-N 1 2 309.360 2.900 20 30 DFEDLO CCOC(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135095277 332615005 /nfs/dbraw/zinc/61/50/05/332615005.db2.gz FMYRGHMZCCHJAF-UHFFFAOYSA-N 1 2 315.417 2.762 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000569845331 332685585 /nfs/dbraw/zinc/68/55/85/332685585.db2.gz HOTBWRBSIKQAOP-FZMZJTMJSA-N 1 2 322.206 2.516 20 30 DFEDLO CC[C@@H](Cc1ccccc1C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570048346 332705730 /nfs/dbraw/zinc/70/57/30/332705730.db2.gz QYOFSLKQSGRMPI-YJBOKZPZSA-N 1 2 301.434 2.524 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000570114147 332713871 /nfs/dbraw/zinc/71/38/71/332713871.db2.gz UYUVEJHMCDMPHX-OAHLLOKOSA-N 1 2 323.400 2.503 20 30 DFEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127731 335115081 /nfs/dbraw/zinc/11/50/81/335115081.db2.gz KFDALDWVSHMOBH-XUSGNXJCSA-N 1 2 317.376 2.756 20 30 DFEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127731 335115083 /nfs/dbraw/zinc/11/50/83/335115083.db2.gz KFDALDWVSHMOBH-XUSGNXJCSA-N 1 2 317.376 2.756 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177802235 332997135 /nfs/dbraw/zinc/99/71/35/332997135.db2.gz OZWLLTXKYDPPNM-MRXNPFEDSA-N 1 2 311.385 2.753 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1c(C)n[nH]c1C ZINC000173549249 333075223 /nfs/dbraw/zinc/07/52/23/333075223.db2.gz LDUNAHHXPQAMJG-UHFFFAOYSA-N 1 2 305.426 2.617 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1c(C)n[nH]c1C ZINC000173549249 333075226 /nfs/dbraw/zinc/07/52/26/333075226.db2.gz LDUNAHHXPQAMJG-UHFFFAOYSA-N 1 2 305.426 2.617 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176337412 333112193 /nfs/dbraw/zinc/11/21/93/333112193.db2.gz HUHVYSAGWUNGGT-MRXNPFEDSA-N 1 2 309.373 2.646 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C(F)F)cc1 ZINC000183954522 333190162 /nfs/dbraw/zinc/19/01/62/333190162.db2.gz JZESMRSCRBSDCW-UHFFFAOYSA-N 1 2 323.387 2.672 20 30 DFEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445885389 333214222 /nfs/dbraw/zinc/21/42/22/333214222.db2.gz KZCLXFBNQMCPKW-KRWDZBQOSA-N 1 2 304.821 2.682 20 30 DFEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445885389 333214223 /nfs/dbraw/zinc/21/42/23/333214223.db2.gz KZCLXFBNQMCPKW-KRWDZBQOSA-N 1 2 304.821 2.682 20 30 DFEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445885390 333214580 /nfs/dbraw/zinc/21/45/80/333214580.db2.gz KZCLXFBNQMCPKW-QGZVFWFLSA-N 1 2 304.821 2.682 20 30 DFEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000445885390 333214582 /nfs/dbraw/zinc/21/45/82/333214582.db2.gz KZCLXFBNQMCPKW-QGZVFWFLSA-N 1 2 304.821 2.682 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000582105572 333237665 /nfs/dbraw/zinc/23/76/65/333237665.db2.gz NIGLODMSTCLAGY-UHFFFAOYSA-N 1 2 307.463 2.788 20 30 DFEDLO N#CCOc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000192302138 333287278 /nfs/dbraw/zinc/28/72/78/333287278.db2.gz KNXMHIRGHDBVAP-UHFFFAOYSA-N 1 2 309.373 2.591 20 30 DFEDLO N#CCOc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000192302138 333287279 /nfs/dbraw/zinc/28/72/79/333287279.db2.gz KNXMHIRGHDBVAP-UHFFFAOYSA-N 1 2 309.373 2.591 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000193849343 333307006 /nfs/dbraw/zinc/30/70/06/333307006.db2.gz QNBRCUOHUALXIJ-UHFFFAOYSA-N 1 2 316.449 2.968 20 30 DFEDLO C=CC1CC[NH+](CC(=O)Nc2sccc2C(=O)OCC)CC1 ZINC000111259162 333328217 /nfs/dbraw/zinc/32/82/17/333328217.db2.gz VXEJLBBBNQWMPI-UHFFFAOYSA-N 1 2 322.430 2.761 20 30 DFEDLO C=CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000111374776 333329073 /nfs/dbraw/zinc/32/90/73/333329073.db2.gz WKAUKZLTZWCHBL-QGZVFWFLSA-N 1 2 314.360 2.707 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000337576659 333453199 /nfs/dbraw/zinc/45/31/99/333453199.db2.gz GLCSWRAAWHXXQR-ZBFHGGJFSA-N 1 2 302.418 2.770 20 30 DFEDLO Cc1[nH]c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000339183523 333511471 /nfs/dbraw/zinc/51/14/71/333511471.db2.gz PBSRLXIDCBDKGB-UHFFFAOYSA-N 1 2 307.275 2.518 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000186072551 335158823 /nfs/dbraw/zinc/15/88/23/335158823.db2.gz CUZCTRHFEGFALB-ZDUSSCGKSA-N 1 2 303.406 2.767 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000413058001 333828862 /nfs/dbraw/zinc/82/88/62/333828862.db2.gz ZGEWKLNZHFIAIC-KRWDZBQOSA-N 1 2 324.428 2.980 20 30 DFEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272508028 334036117 /nfs/dbraw/zinc/03/61/17/334036117.db2.gz FUBKGKPDNYQPGQ-NSHDSACASA-N 1 2 307.344 2.917 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000272615216 334038118 /nfs/dbraw/zinc/03/81/18/334038118.db2.gz SYHMYESRNIAWHL-UHFFFAOYSA-N 1 2 323.343 2.852 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C)(C#N)CC1 ZINC000272616366 334038168 /nfs/dbraw/zinc/03/81/68/334038168.db2.gz TYRICSYMMNDEGJ-NSHDSACASA-N 1 2 306.797 2.688 20 30 DFEDLO N#CC1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCCC1 ZINC000273703166 334049631 /nfs/dbraw/zinc/04/96/31/334049631.db2.gz KCJMBVMIECFCGP-UHFFFAOYSA-N 1 2 306.329 2.653 20 30 DFEDLO N#CC1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CCCC1 ZINC000273922560 334053033 /nfs/dbraw/zinc/05/30/33/334053033.db2.gz QSVAJTXLFWZJCJ-UHFFFAOYSA-N 1 2 306.329 2.653 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000274127104 334055225 /nfs/dbraw/zinc/05/52/25/334055225.db2.gz HSNHNSNEWVXBHO-UHFFFAOYSA-N 1 2 315.804 2.684 20 30 DFEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000274127104 334055226 /nfs/dbraw/zinc/05/52/26/334055226.db2.gz HSNHNSNEWVXBHO-UHFFFAOYSA-N 1 2 315.804 2.684 20 30 DFEDLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCCCC#N)[nH+]cn1 ZINC000275861218 334073434 /nfs/dbraw/zinc/07/34/34/334073434.db2.gz ZEVOSXXXUMDYGL-BBRMVZONSA-N 1 2 303.410 2.808 20 30 DFEDLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCCCC#N)nc[nH+]1 ZINC000275861218 334073435 /nfs/dbraw/zinc/07/34/35/334073435.db2.gz ZEVOSXXXUMDYGL-BBRMVZONSA-N 1 2 303.410 2.808 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276227473 334075286 /nfs/dbraw/zinc/07/52/86/334075286.db2.gz MVYYGVJDIRRKNL-GOSISDBHSA-N 1 2 310.376 2.603 20 30 DFEDLO COc1ccccc1-c1nc(C2CC[NH+](CCC#N)CC2)no1 ZINC000276826755 334085198 /nfs/dbraw/zinc/08/51/98/334085198.db2.gz QATNVXMPAKQGGF-UHFFFAOYSA-N 1 2 312.373 2.838 20 30 DFEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2CC[NH+](C3CC3)CC2)c1 ZINC000277917205 334091935 /nfs/dbraw/zinc/09/19/35/334091935.db2.gz DUPLGQNIVFYJNK-GZTJUZNOSA-N 1 2 303.362 2.594 20 30 DFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC(C)(C)C#N ZINC000278351850 334095329 /nfs/dbraw/zinc/09/53/29/334095329.db2.gz NGQMDKBPCSZZJW-UHFFFAOYSA-N 1 2 315.417 2.706 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1F ZINC000278535508 334097563 /nfs/dbraw/zinc/09/75/63/334097563.db2.gz MBLPRUHHANTPIT-OAHLLOKOSA-N 1 2 314.364 2.705 20 30 DFEDLO CN(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC000280130630 334114478 /nfs/dbraw/zinc/11/44/78/334114478.db2.gz DDBWQMRUMBRREZ-UHFFFAOYSA-N 1 2 322.412 2.879 20 30 DFEDLO CNC(=O)COc1ccc([NH2+]CC(C)(C)CCC#N)c(C)c1 ZINC000280323738 334116306 /nfs/dbraw/zinc/11/63/06/334116306.db2.gz QOHORGNLNIHLEY-UHFFFAOYSA-N 1 2 303.406 2.862 20 30 DFEDLO CC(C)n1nccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000280677430 334118992 /nfs/dbraw/zinc/11/89/92/334118992.db2.gz VEYVOYMNHYGGLW-IBGZPJMESA-N 1 2 323.444 2.846 20 30 DFEDLO NC(=[NH+]OCc1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000283765219 334141318 /nfs/dbraw/zinc/14/13/18/334141318.db2.gz BKPQZJLHQMTRMF-LLVKDONJSA-N 1 2 317.158 2.556 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2cscn2)CC1 ZINC000284084470 334142437 /nfs/dbraw/zinc/14/24/37/334142437.db2.gz RQUFEBQWAIICJD-KRWDZBQOSA-N 1 2 312.442 2.568 20 30 DFEDLO NC(=[NH+]OCc1ccc(F)cc1Br)[C@H]1CCCO1 ZINC000284443915 334143442 /nfs/dbraw/zinc/14/34/42/334143442.db2.gz PMESPJDDTKJYSQ-LLVKDONJSA-N 1 2 317.158 2.556 20 30 DFEDLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284596474 334143968 /nfs/dbraw/zinc/14/39/68/334143968.db2.gz YGOURHRYDPYSEE-WCQYABFASA-N 1 2 316.361 2.574 20 30 DFEDLO CC(C)(C)OC(=O)c1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284580092 334143996 /nfs/dbraw/zinc/14/39/96/334143996.db2.gz XJWCSAPEAPJTBG-CQSZACIVSA-N 1 2 320.389 2.610 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CC(C)(C)C#N)CCCC2 ZINC000286078699 334151114 /nfs/dbraw/zinc/15/11/14/334151114.db2.gz KAJVWIHFPKUITR-HNNXBMFYSA-N 1 2 314.433 2.902 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CC(C)(C)C#N)CCCC2 ZINC000286078703 334151126 /nfs/dbraw/zinc/15/11/26/334151126.db2.gz KAJVWIHFPKUITR-OAHLLOKOSA-N 1 2 314.433 2.902 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000343581717 335179136 /nfs/dbraw/zinc/17/91/36/335179136.db2.gz NHNAYAAQTADSHZ-LBPRGKRZSA-N 1 2 311.307 2.857 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000343581717 335179137 /nfs/dbraw/zinc/17/91/37/335179137.db2.gz NHNAYAAQTADSHZ-LBPRGKRZSA-N 1 2 311.307 2.857 20 30 DFEDLO C[C@H](c1cccc(NC(=O)CCCC#N)c1)[NH+]1CCOCC1 ZINC000291739799 334181319 /nfs/dbraw/zinc/18/13/19/334181319.db2.gz RNXFELIPQYSDQF-CQSZACIVSA-N 1 2 301.390 2.712 20 30 DFEDLO N#CCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000291933428 334183195 /nfs/dbraw/zinc/18/31/95/334183195.db2.gz ORRNFRRJAHHTKD-UHFFFAOYSA-N 1 2 322.412 2.704 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000292292564 334186466 /nfs/dbraw/zinc/18/64/66/334186466.db2.gz UIHQNGKEVNYOQQ-UHFFFAOYSA-N 1 2 301.781 2.822 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000292292564 334186468 /nfs/dbraw/zinc/18/64/68/334186468.db2.gz UIHQNGKEVNYOQQ-UHFFFAOYSA-N 1 2 301.781 2.822 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000292341062 334186934 /nfs/dbraw/zinc/18/69/34/334186934.db2.gz WYZGUCNNLWLFLB-HKUYNNGSSA-N 1 2 314.429 2.843 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000292341062 334186936 /nfs/dbraw/zinc/18/69/36/334186936.db2.gz WYZGUCNNLWLFLB-HKUYNNGSSA-N 1 2 314.429 2.843 20 30 DFEDLO CC[N@H+](CCC#N)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000292893877 334193870 /nfs/dbraw/zinc/19/38/70/334193870.db2.gz VJVRTLBSEYNQQT-CZUORRHYSA-N 1 2 303.381 2.723 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000292893877 334193872 /nfs/dbraw/zinc/19/38/72/334193872.db2.gz VJVRTLBSEYNQQT-CZUORRHYSA-N 1 2 303.381 2.723 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353204924 334195226 /nfs/dbraw/zinc/19/52/26/334195226.db2.gz SXBTYQODUWTSFR-LSDHHAIUSA-N 1 2 311.372 2.884 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353204924 334195227 /nfs/dbraw/zinc/19/52/27/334195227.db2.gz SXBTYQODUWTSFR-LSDHHAIUSA-N 1 2 311.372 2.884 20 30 DFEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC12CCCC2 ZINC000294458181 334210109 /nfs/dbraw/zinc/21/01/09/334210109.db2.gz NTDJQUPPLFBWAR-IBGZPJMESA-N 1 2 324.428 2.772 20 30 DFEDLO Cc1cccn2cc(CNC(=O)[C@@]3(C#N)CC34CCCC4)[nH+]c12 ZINC000294659859 334212251 /nfs/dbraw/zinc/21/22/51/334212251.db2.gz QHUUKBSGFBKPFI-SFHVURJKSA-N 1 2 308.385 2.733 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000298476230 334249122 /nfs/dbraw/zinc/24/91/22/334249122.db2.gz SYLDKQYLLUCMDL-UHFFFAOYSA-N 1 2 324.384 2.695 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)cc1 ZINC000299146181 334253502 /nfs/dbraw/zinc/25/35/02/334253502.db2.gz CGWJXMRUNFGGTI-QLFBSQMISA-N 1 2 301.434 2.906 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000299146181 334253504 /nfs/dbraw/zinc/25/35/04/334253504.db2.gz CGWJXMRUNFGGTI-QLFBSQMISA-N 1 2 301.434 2.906 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000299670784 334257113 /nfs/dbraw/zinc/25/71/13/334257113.db2.gz MGCAQCXXLSMGMB-OAHLLOKOSA-N 1 2 301.390 2.633 20 30 DFEDLO C=C(CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000340885460 334393158 /nfs/dbraw/zinc/39/31/58/334393158.db2.gz VGEDLMUEKCYPQL-KRWDZBQOSA-N 1 2 324.428 2.953 20 30 DFEDLO C=C(CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000340885460 334393160 /nfs/dbraw/zinc/39/31/60/334393160.db2.gz VGEDLMUEKCYPQL-KRWDZBQOSA-N 1 2 324.428 2.953 20 30 DFEDLO C=CCN(Cc1c[nH+]ccc1OC)S(=O)(=O)c1cccs1 ZINC000341405357 334439705 /nfs/dbraw/zinc/43/97/05/334439705.db2.gz XXNVNEKSCXFXOA-UHFFFAOYSA-N 1 2 324.427 2.529 20 30 DFEDLO CC#CCCCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341477515 334451919 /nfs/dbraw/zinc/45/19/19/334451919.db2.gz FXDHMCXFMXVEKB-CQSZACIVSA-N 1 2 301.434 2.805 20 30 DFEDLO C=C1CC[NH+](CC(=O)N2CCCc3cc(OC)ccc32)CC1 ZINC000342001771 334500039 /nfs/dbraw/zinc/50/00/39/334500039.db2.gz LSUMCMGZCARSAD-UHFFFAOYSA-N 1 2 300.402 2.626 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342836872 334586049 /nfs/dbraw/zinc/58/60/49/334586049.db2.gz BXBRADGCPONRQG-UHFFFAOYSA-N 1 2 305.422 2.879 20 30 DFEDLO C#CC[C@@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000366800049 334602780 /nfs/dbraw/zinc/60/27/80/334602780.db2.gz KOQZSCSDMSYRIF-DLBZAZTESA-N 1 2 322.412 2.824 20 30 DFEDLO O=C(CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)NC1CCCC1 ZINC000328797755 334757731 /nfs/dbraw/zinc/75/77/31/334757731.db2.gz WCUMRSYRKVXOEL-UHFFFAOYSA-N 1 2 318.421 2.795 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000328943076 334766373 /nfs/dbraw/zinc/76/63/73/334766373.db2.gz ITVJEUCKDNEPFF-CKEIUWERSA-N 1 2 303.406 2.680 20 30 DFEDLO Cc1cc(NC(=O)NCC(C)(C)O)c[nH+]c1N1CCCC[C@@H]1C ZINC000330770385 334809116 /nfs/dbraw/zinc/80/91/16/334809116.db2.gz BDVYLZZOXQCXAB-ZDUSSCGKSA-N 1 2 320.437 2.866 20 30 DFEDLO COCC(C)(C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000330933554 334826381 /nfs/dbraw/zinc/82/63/81/334826381.db2.gz DNCPIDHSTNUPOF-UHFFFAOYSA-N 1 2 320.437 2.501 20 30 DFEDLO CC(C)[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000331338168 334854635 /nfs/dbraw/zinc/85/46/35/334854635.db2.gz RBGAHRGGLIMFLD-CYBMUJFWSA-N 1 2 324.450 2.500 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000343910629 335201562 /nfs/dbraw/zinc/20/15/62/335201562.db2.gz DKZHTNBYPNYXJA-WBMJQRKESA-N 1 2 303.381 2.721 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000343910629 335201563 /nfs/dbraw/zinc/20/15/63/335201563.db2.gz DKZHTNBYPNYXJA-WBMJQRKESA-N 1 2 303.381 2.721 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)ccc1OC ZINC000344818987 335280987 /nfs/dbraw/zinc/28/09/87/335280987.db2.gz AROPKVWVSGZBQQ-CABCVRRESA-N 1 2 309.381 2.555 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)ccc1OC ZINC000344818987 335280988 /nfs/dbraw/zinc/28/09/88/335280988.db2.gz AROPKVWVSGZBQQ-CABCVRRESA-N 1 2 309.381 2.555 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000348499199 335593050 /nfs/dbraw/zinc/59/30/50/335593050.db2.gz ZBOZQHWYFZPERO-KWEPMOPPSA-N 1 2 311.429 2.784 20 30 DFEDLO CCOc1c(OC)cc(C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000348713969 335604399 /nfs/dbraw/zinc/60/43/99/335604399.db2.gz MBHMQNSDSKBDAI-UHFFFAOYSA-N 1 2 322.380 2.930 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583567187 335736500 /nfs/dbraw/zinc/73/65/00/335736500.db2.gz MEDHKWABKOVJHP-CYBMUJFWSA-N 1 2 301.415 2.722 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@@H]1CCCO1)C1CCOCC1 ZINC000329096872 335940053 /nfs/dbraw/zinc/94/00/53/335940053.db2.gz YHOATGQBXKSGEE-GOEBONIOSA-N 1 2 321.421 2.804 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H]1CC1(C)C)C2 ZINC000329277010 335958686 /nfs/dbraw/zinc/95/86/86/335958686.db2.gz KQIAAGPCYJFDQB-GFCCVEGCSA-N 1 2 304.438 2.862 20 30 DFEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000329339049 335965633 /nfs/dbraw/zinc/96/56/33/335965633.db2.gz NMKMRFBSWYMJSC-DOMZBBRYSA-N 1 2 324.384 2.783 20 30 DFEDLO O=C(N[C@H]1CCc2c1cccc2O)C1([NH+]2CCOCC2)CCC1 ZINC000329429802 335975459 /nfs/dbraw/zinc/97/54/59/335975459.db2.gz HAPZXAUDKODLEE-HNNXBMFYSA-N 1 2 316.401 2.591 20 30 DFEDLO Cc1cc(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)no1 ZINC000329477587 335981605 /nfs/dbraw/zinc/98/16/05/335981605.db2.gz BZMBJLKYEPPUOB-LBPRGKRZSA-N 1 2 316.405 2.991 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329575781 335996601 /nfs/dbraw/zinc/99/66/01/335996601.db2.gz JXTTYFSDQPSSAT-NZVBXONLSA-N 1 2 321.783 2.866 20 30 DFEDLO Cc1cccc2c1CN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000329618990 336011164 /nfs/dbraw/zinc/01/11/64/336011164.db2.gz QSMZGMFDINMYRN-CQSZACIVSA-N 1 2 310.401 2.548 20 30 DFEDLO Cc1cccc2c1CN(C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000329618990 336011166 /nfs/dbraw/zinc/01/11/66/336011166.db2.gz QSMZGMFDINMYRN-CQSZACIVSA-N 1 2 310.401 2.548 20 30 DFEDLO O=C(Cn1cc[nH+]c1)Nc1ccccc1C#Cc1ccccc1 ZINC000520683441 336015242 /nfs/dbraw/zinc/01/52/42/336015242.db2.gz PUTQULPQTDUTPS-UHFFFAOYSA-N 1 2 301.349 2.922 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000329633181 336020521 /nfs/dbraw/zinc/02/05/21/336020521.db2.gz SGNVVHVDVHIDKW-LBPRGKRZSA-N 1 2 304.438 2.939 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC(C)(C)C1 ZINC000329633181 336020523 /nfs/dbraw/zinc/02/05/23/336020523.db2.gz SGNVVHVDVHIDKW-LBPRGKRZSA-N 1 2 304.438 2.939 20 30 DFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCCS2)no1 ZINC000329650682 336028480 /nfs/dbraw/zinc/02/84/80/336028480.db2.gz KNOZJTPSGRNTKT-SNVBAGLBSA-N 1 2 312.439 2.609 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329729925 336071500 /nfs/dbraw/zinc/07/15/00/336071500.db2.gz FZEHEVVDIDTQNY-ZDUSSCGKSA-N 1 2 308.451 2.789 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329729925 336071501 /nfs/dbraw/zinc/07/15/01/336071501.db2.gz FZEHEVVDIDTQNY-ZDUSSCGKSA-N 1 2 308.451 2.789 20 30 DFEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@H]1CCCS1 ZINC000329769590 336079828 /nfs/dbraw/zinc/07/98/28/336079828.db2.gz HZMPQHVSIZSPDC-CQSZACIVSA-N 1 2 320.462 2.581 20 30 DFEDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329790721 336082044 /nfs/dbraw/zinc/08/20/44/336082044.db2.gz UBHUWCUZAHNVQS-UHFFFAOYSA-N 1 2 318.373 2.506 20 30 DFEDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329790721 336082046 /nfs/dbraw/zinc/08/20/46/336082046.db2.gz UBHUWCUZAHNVQS-UHFFFAOYSA-N 1 2 318.373 2.506 20 30 DFEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000329894449 336093070 /nfs/dbraw/zinc/09/30/70/336093070.db2.gz BIQUSIFTWJQBLE-CWRNSKLLSA-N 1 2 316.449 2.918 20 30 DFEDLO C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329927746 336096197 /nfs/dbraw/zinc/09/61/97/336096197.db2.gz XFKIYLOCEGPJPW-HBUWYVDXSA-N 1 2 324.428 2.883 20 30 DFEDLO O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCn2cc[nH+]c2C1 ZINC000329984604 336102672 /nfs/dbraw/zinc/10/26/72/336102672.db2.gz CMIBBENQBBTUDD-OAHLLOKOSA-N 1 2 314.364 2.829 20 30 DFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329987195 336102915 /nfs/dbraw/zinc/10/29/15/336102915.db2.gz FXDGJJMLBMSXNL-BARDWOONSA-N 1 2 324.465 2.836 20 30 DFEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329987195 336102916 /nfs/dbraw/zinc/10/29/16/336102916.db2.gz FXDGJJMLBMSXNL-BARDWOONSA-N 1 2 324.465 2.836 20 30 DFEDLO Cc1cnc([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)o1 ZINC000329997497 336104173 /nfs/dbraw/zinc/10/41/73/336104173.db2.gz QQSLHKLCXPDGEF-NSHDSACASA-N 1 2 317.393 2.818 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330069785 336110959 /nfs/dbraw/zinc/11/09/59/336110959.db2.gz HMOZTIYAKDGIGI-IMSKVBIZSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330069785 336110961 /nfs/dbraw/zinc/11/09/61/336110961.db2.gz HMOZTIYAKDGIGI-IMSKVBIZSA-N 1 2 324.465 2.647 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330083759 336112075 /nfs/dbraw/zinc/11/20/75/336112075.db2.gz QOJIPDYNCMIRBI-NVXWUHKLSA-N 1 2 310.438 2.546 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330083759 336112076 /nfs/dbraw/zinc/11/20/76/336112076.db2.gz QOJIPDYNCMIRBI-NVXWUHKLSA-N 1 2 310.438 2.546 20 30 DFEDLO [O-]C(N[C@H]1CCc2c1cccc2F)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330126218 336115796 /nfs/dbraw/zinc/11/57/96/336115796.db2.gz BXBRDSSKNMDPJQ-ABAIWWIYSA-N 1 2 314.364 2.528 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@H]1CCOC1)C2 ZINC000330154827 336118936 /nfs/dbraw/zinc/11/89/36/336118936.db2.gz XYESLOIZIPZKOJ-CHWSQXEVSA-N 1 2 305.422 2.879 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330161048 336119617 /nfs/dbraw/zinc/11/96/17/336119617.db2.gz SOGJJBRIGXMBTA-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330161048 336119618 /nfs/dbraw/zinc/11/96/18/336119618.db2.gz SOGJJBRIGXMBTA-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCSC[C@@H](C)C1)CCC2 ZINC000330176376 336121124 /nfs/dbraw/zinc/12/11/24/336121124.db2.gz JWVDBOYWPCIPRI-JSGCOSHPSA-N 1 2 322.478 2.668 20 30 DFEDLO Cc1cc(C)c2c(c1)CN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201741 336123909 /nfs/dbraw/zinc/12/39/09/336123909.db2.gz YGPDIBGZJGURMW-MRXNPFEDSA-N 1 2 324.428 2.787 20 30 DFEDLO Cc1cc(C)c2c(c1)CN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201741 336123911 /nfs/dbraw/zinc/12/39/11/336123911.db2.gz YGPDIBGZJGURMW-MRXNPFEDSA-N 1 2 324.428 2.787 20 30 DFEDLO C[C@@H]1[C@H](c2ccccc2)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202919 336123943 /nfs/dbraw/zinc/12/39/43/336123943.db2.gz ZYYUNOUIDPNWLD-DJIMGWMZSA-N 1 2 324.428 2.990 20 30 DFEDLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330202919 336123944 /nfs/dbraw/zinc/12/39/44/336123944.db2.gz ZYYUNOUIDPNWLD-DJIMGWMZSA-N 1 2 324.428 2.990 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330217020 336125455 /nfs/dbraw/zinc/12/54/55/336125455.db2.gz IDVAIKBVYJAPEF-CQSZACIVSA-N 1 2 318.421 2.536 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCOC2(CCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330217020 336125457 /nfs/dbraw/zinc/12/54/57/336125457.db2.gz IDVAIKBVYJAPEF-CQSZACIVSA-N 1 2 318.421 2.536 20 30 DFEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCc2ccccc21 ZINC000330241759 336128884 /nfs/dbraw/zinc/12/88/84/336128884.db2.gz BWVHGDGOCBHFAX-BEFAXECRSA-N 1 2 324.428 2.953 20 30 DFEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000330281309 336133206 /nfs/dbraw/zinc/13/32/06/336133206.db2.gz UKWRCJWKQROIKZ-UXLLHSPISA-N 1 2 316.401 2.720 20 30 DFEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000330281309 336133207 /nfs/dbraw/zinc/13/32/07/336133207.db2.gz UKWRCJWKQROIKZ-UXLLHSPISA-N 1 2 316.401 2.720 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCOC1 ZINC000330285647 336133669 /nfs/dbraw/zinc/13/36/69/336133669.db2.gz ZFESURSAOVBYME-CABCVRRESA-N 1 2 320.437 2.771 20 30 DFEDLO CC(C)[C@@H]1C[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330287157 336133683 /nfs/dbraw/zinc/13/36/83/336133683.db2.gz BBFSGPLZAXFHNU-ILXRZTDVSA-N 1 2 305.422 2.996 20 30 DFEDLO CC(C)(C)c1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000330293757 336136332 /nfs/dbraw/zinc/13/63/32/336136332.db2.gz DWULGHADFFAEOP-JTQLQIEISA-N 1 2 304.419 2.957 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000331507354 336138383 /nfs/dbraw/zinc/13/83/83/336138383.db2.gz FAFCWHXMNPXBJM-GHMZBOCLSA-N 1 2 300.387 2.517 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000330316786 336153235 /nfs/dbraw/zinc/15/32/35/336153235.db2.gz QCLNYVQKBLMXJV-FRIZHTMISA-N 1 2 323.396 2.895 20 30 DFEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)O1 ZINC000330320145 336157744 /nfs/dbraw/zinc/15/77/44/336157744.db2.gz DXDOPTNYIGZHIJ-IXYNUQLISA-N 1 2 321.421 2.944 20 30 DFEDLO CC(=O)NC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330325900 336158351 /nfs/dbraw/zinc/15/83/51/336158351.db2.gz UWKGZSKFEGTBBB-CYBMUJFWSA-N 1 2 304.394 2.834 20 30 DFEDLO O=C(CNC(=O)C1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330331368 336166648 /nfs/dbraw/zinc/16/66/48/336166648.db2.gz XLAWQQPSCGWKCG-CYBMUJFWSA-N 1 2 304.394 2.691 20 30 DFEDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330339793 336168996 /nfs/dbraw/zinc/16/89/96/336168996.db2.gz XCWQUPYDSZYCCX-CYBMUJFWSA-N 1 2 319.453 2.681 20 30 DFEDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330339793 336168998 /nfs/dbraw/zinc/16/89/98/336168998.db2.gz XCWQUPYDSZYCCX-CYBMUJFWSA-N 1 2 319.453 2.681 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ncc(C)o1 ZINC000330353856 336176371 /nfs/dbraw/zinc/17/63/71/336176371.db2.gz OXSPGLMYIULEBJ-LBPRGKRZSA-N 1 2 303.366 2.972 20 30 DFEDLO CC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@H](C)C#N ZINC000352092064 336194375 /nfs/dbraw/zinc/19/43/75/336194375.db2.gz NQRMMMDADFDLRO-SNVBAGLBSA-N 1 2 312.316 2.998 20 30 DFEDLO CC[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@H](C)C#N ZINC000352092064 336194376 /nfs/dbraw/zinc/19/43/76/336194376.db2.gz NQRMMMDADFDLRO-SNVBAGLBSA-N 1 2 312.316 2.998 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1=O ZINC000333627851 336207473 /nfs/dbraw/zinc/20/74/73/336207473.db2.gz QPJUXFGJKJYGGJ-BPUTZDHNSA-N 1 2 315.392 2.911 20 30 DFEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000352446996 336219637 /nfs/dbraw/zinc/21/96/37/336219637.db2.gz ANDFTXJQYAAMCO-HNNXBMFYSA-N 1 2 319.355 2.649 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000352450820 336219827 /nfs/dbraw/zinc/21/98/27/336219827.db2.gz UHAWZVOZNRWUBH-UHFFFAOYSA-N 1 2 304.281 2.564 20 30 DFEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1Cl ZINC000352467666 336220263 /nfs/dbraw/zinc/22/02/63/336220263.db2.gz MHFLWOGCAZGDGP-GFCCVEGCSA-N 1 2 323.799 2.845 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352459003 336220434 /nfs/dbraw/zinc/22/04/34/336220434.db2.gz RRMBCXVXUSKPCW-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(F)(C#N)CC1 ZINC000352467732 336220484 /nfs/dbraw/zinc/22/04/84/336220484.db2.gz NDTQUSAOWUODBF-LLVKDONJSA-N 1 2 301.325 2.520 20 30 DFEDLO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352491937 336221819 /nfs/dbraw/zinc/22/18/19/336221819.db2.gz TWONAMKJPRSURZ-HNNXBMFYSA-N 1 2 317.408 2.808 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000352575922 336225357 /nfs/dbraw/zinc/22/53/57/336225357.db2.gz DNTGVQVAKMJKSY-KDOFPFPSSA-N 1 2 317.408 2.971 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1OC ZINC000352699784 336231006 /nfs/dbraw/zinc/23/10/06/336231006.db2.gz FUPQQSNURPTTAN-UHFFFAOYSA-N 1 2 314.385 2.957 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1OC ZINC000352699784 336231007 /nfs/dbraw/zinc/23/10/07/336231007.db2.gz FUPQQSNURPTTAN-UHFFFAOYSA-N 1 2 314.385 2.957 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000352794398 336237105 /nfs/dbraw/zinc/23/71/05/336237105.db2.gz ATNSEDGFVIJYAQ-HUUCEWRRSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000352794398 336237106 /nfs/dbraw/zinc/23/71/06/336237106.db2.gz ATNSEDGFVIJYAQ-HUUCEWRRSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)nc1 ZINC000352797082 336237591 /nfs/dbraw/zinc/23/75/91/336237591.db2.gz ALXAQAPJFRNIFX-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)nc1 ZINC000352797082 336237592 /nfs/dbraw/zinc/23/75/92/336237592.db2.gz ALXAQAPJFRNIFX-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](CC(C)C)C(=O)OC ZINC000352798902 336238298 /nfs/dbraw/zinc/23/82/98/336238298.db2.gz DWYTYLYWHFUVGJ-MRXNPFEDSA-N 1 2 309.406 2.738 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](CC(C)C)C(=O)OC ZINC000352798902 336238299 /nfs/dbraw/zinc/23/82/99/336238299.db2.gz DWYTYLYWHFUVGJ-MRXNPFEDSA-N 1 2 309.406 2.738 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NC1CCCCC1)Cc1ccc(CO)o1 ZINC000352871115 336287325 /nfs/dbraw/zinc/28/73/25/336287325.db2.gz ACRXVHCJQZJACJ-UHFFFAOYSA-N 1 2 320.433 2.599 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NC1CCCCC1)Cc1ccc(CO)o1 ZINC000352871115 336287326 /nfs/dbraw/zinc/28/73/26/336287326.db2.gz ACRXVHCJQZJACJ-UHFFFAOYSA-N 1 2 320.433 2.599 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)nn1 ZINC000352903806 336375494 /nfs/dbraw/zinc/37/54/94/336375494.db2.gz RJMZYESIFAHQGA-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)nn1 ZINC000352903806 336375495 /nfs/dbraw/zinc/37/54/95/336375495.db2.gz RJMZYESIFAHQGA-UHFFFAOYSA-N 1 2 315.421 2.841 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2cn3cc(C)ccc3[nH+]2)nc1 ZINC000352997312 336381407 /nfs/dbraw/zinc/38/14/07/336381407.db2.gz LNOXMANDSRQQOJ-UHFFFAOYSA-N 1 2 321.384 2.566 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000367348716 336676743 /nfs/dbraw/zinc/67/67/43/336676743.db2.gz PGJQRCICDUPORK-SJORKVTESA-N 1 2 307.397 2.511 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)CCCC#N)CC2)s1 ZINC000360252515 336706463 /nfs/dbraw/zinc/70/64/63/336706463.db2.gz QCYJGNUNRSRDKB-UHFFFAOYSA-N 1 2 305.447 2.649 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2 ZINC000367609629 336826574 /nfs/dbraw/zinc/82/65/74/336826574.db2.gz ZKIPFHYDQWCAHD-UHFFFAOYSA-N 1 2 320.396 2.711 20 30 DFEDLO CCCCCCCCOCC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369647582 336868928 /nfs/dbraw/zinc/86/89/28/336868928.db2.gz KEDAEDUJIMTXET-MRXNPFEDSA-N 1 2 321.465 2.939 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000369855972 336873204 /nfs/dbraw/zinc/87/32/04/336873204.db2.gz LGDIBJCTUYBFKK-AWEZNQCLSA-N 1 2 322.412 2.677 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000372205997 336924844 /nfs/dbraw/zinc/92/48/44/336924844.db2.gz YMEIZORKXKGFFG-MRXNPFEDSA-N 1 2 317.433 2.538 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121385705 336946912 /nfs/dbraw/zinc/94/69/12/336946912.db2.gz QDVPKLQAQUPREO-SFHVURJKSA-N 1 2 323.444 2.846 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000375215421 337005956 /nfs/dbraw/zinc/00/59/56/337005956.db2.gz MYILOJMBOAFVNA-RHSMWYFYSA-N 1 2 320.396 2.859 20 30 DFEDLO C=CCCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000375229196 337006079 /nfs/dbraw/zinc/00/60/79/337006079.db2.gz MMJSLRLJMXBLEY-UHFFFAOYSA-N 1 2 302.422 2.706 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000375386496 337009897 /nfs/dbraw/zinc/00/98/97/337009897.db2.gz IFCJJIGBUNGZGY-ZTFGCOKTSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000375386496 337009898 /nfs/dbraw/zinc/00/98/98/337009898.db2.gz IFCJJIGBUNGZGY-ZTFGCOKTSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050151 337011457 /nfs/dbraw/zinc/01/14/57/337011457.db2.gz MMPOWTTXAKJWNU-HOCLYGCPSA-N 1 2 304.434 2.958 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050151 337011458 /nfs/dbraw/zinc/01/14/58/337011458.db2.gz MMPOWTTXAKJWNU-HOCLYGCPSA-N 1 2 304.434 2.958 20 30 DFEDLO C#CCN(C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CCCC1 ZINC000375959075 337024214 /nfs/dbraw/zinc/02/42/14/337024214.db2.gz FEZQKPRPUMUUPI-OAHLLOKOSA-N 1 2 314.433 2.656 20 30 DFEDLO C=CCCCCCCNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000377040590 337045879 /nfs/dbraw/zinc/04/58/79/337045879.db2.gz DKWZVTRYAMDYKC-HNNXBMFYSA-N 1 2 304.438 2.881 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000377708283 337059091 /nfs/dbraw/zinc/05/90/91/337059091.db2.gz WZXPDROKBYRGLN-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000377708283 337059092 /nfs/dbraw/zinc/05/90/92/337059092.db2.gz WZXPDROKBYRGLN-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377708277 337059258 /nfs/dbraw/zinc/05/92/58/337059258.db2.gz WZXPDROKBYRGLN-MSOLQXFVSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377708277 337059259 /nfs/dbraw/zinc/05/92/59/337059259.db2.gz WZXPDROKBYRGLN-MSOLQXFVSA-N 1 2 303.402 2.631 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000377921238 337063929 /nfs/dbraw/zinc/06/39/29/337063929.db2.gz WDLVBGIRHVCPRB-UHFFFAOYSA-N 1 2 308.809 2.596 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000377921238 337063930 /nfs/dbraw/zinc/06/39/30/337063930.db2.gz WDLVBGIRHVCPRB-UHFFFAOYSA-N 1 2 308.809 2.596 20 30 DFEDLO O=C([C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000378223834 337068430 /nfs/dbraw/zinc/06/84/30/337068430.db2.gz ZTBTXWKWMVQTTR-GOSISDBHSA-N 1 2 314.404 2.654 20 30 DFEDLO O=C([C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000378223834 337068431 /nfs/dbraw/zinc/06/84/31/337068431.db2.gz ZTBTXWKWMVQTTR-GOSISDBHSA-N 1 2 314.404 2.654 20 30 DFEDLO C=CC1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000378253591 337068816 /nfs/dbraw/zinc/06/88/16/337068816.db2.gz RAOILMONCNEJGM-OAHLLOKOSA-N 1 2 302.422 2.677 20 30 DFEDLO C#CC[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378511967 337074765 /nfs/dbraw/zinc/07/47/65/337074765.db2.gz ABXXBSXDIQZPCE-GDBMZVCRSA-N 1 2 307.397 2.641 20 30 DFEDLO Cc1ccc2c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)coc2c1C ZINC000582522068 337099026 /nfs/dbraw/zinc/09/90/26/337099026.db2.gz CEPZYAMPXIYIJE-GOSISDBHSA-N 1 2 313.401 2.552 20 30 DFEDLO C=CCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000175327189 337145361 /nfs/dbraw/zinc/14/53/61/337145361.db2.gz JSWSLKHYQLCRDL-GASCZTMLSA-N 1 2 317.433 2.668 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC)C[C@H]2CCCO2)c1C ZINC000177606798 337158002 /nfs/dbraw/zinc/15/80/02/337158002.db2.gz YIGOJCRFTWXSOQ-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)C[C@H]2CCCO2)c1C ZINC000177606798 337158003 /nfs/dbraw/zinc/15/80/03/337158003.db2.gz YIGOJCRFTWXSOQ-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C#CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178420303 337164572 /nfs/dbraw/zinc/16/45/72/337164572.db2.gz QBVIKODWAYWQRY-ZWKOTPCHSA-N 1 2 322.412 2.824 20 30 DFEDLO CC#CCCCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000185055803 337201478 /nfs/dbraw/zinc/20/14/78/337201478.db2.gz ZRXYOBRFVXUGHL-UHFFFAOYSA-N 1 2 309.413 2.784 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1C(=O)OCC ZINC000186164321 337254049 /nfs/dbraw/zinc/25/40/49/337254049.db2.gz BAAMZYMTWWWPPV-UHFFFAOYSA-N 1 2 319.430 2.847 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1C(=O)OCC ZINC000186164321 337254050 /nfs/dbraw/zinc/25/40/50/337254050.db2.gz BAAMZYMTWWWPPV-UHFFFAOYSA-N 1 2 319.430 2.847 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000063653165 337284365 /nfs/dbraw/zinc/28/43/65/337284365.db2.gz LGCGEUMBMVYZGO-MRXNPFEDSA-N 1 2 318.442 2.743 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000063653165 337284366 /nfs/dbraw/zinc/28/43/66/337284366.db2.gz LGCGEUMBMVYZGO-MRXNPFEDSA-N 1 2 318.442 2.743 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191075392 337293590 /nfs/dbraw/zinc/29/35/90/337293590.db2.gz MQSLKCXTFZUQCI-SFHVURJKSA-N 1 2 316.445 2.875 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191075392 337293591 /nfs/dbraw/zinc/29/35/91/337293591.db2.gz MQSLKCXTFZUQCI-SFHVURJKSA-N 1 2 316.445 2.875 20 30 DFEDLO CC[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191920175 337301220 /nfs/dbraw/zinc/30/12/20/337301220.db2.gz KOBQZESXKKOYQT-UHFFFAOYSA-N 1 2 317.392 2.797 20 30 DFEDLO CC[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191920175 337301221 /nfs/dbraw/zinc/30/12/21/337301221.db2.gz KOBQZESXKKOYQT-UHFFFAOYSA-N 1 2 317.392 2.797 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000583868903 337361880 /nfs/dbraw/zinc/36/18/80/337361880.db2.gz POFQUVSOHMPVJG-UHFFFAOYSA-N 1 2 323.400 2.565 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000583868903 337361881 /nfs/dbraw/zinc/36/18/81/337361881.db2.gz POFQUVSOHMPVJG-UHFFFAOYSA-N 1 2 323.400 2.565 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C1CC1 ZINC000007017049 337385091 /nfs/dbraw/zinc/38/50/91/337385091.db2.gz HAJUIPOPWGQXBM-LJQANCHMSA-N 1 2 309.413 2.584 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C1CC1 ZINC000007017049 337385092 /nfs/dbraw/zinc/38/50/92/337385092.db2.gz HAJUIPOPWGQXBM-LJQANCHMSA-N 1 2 309.413 2.584 20 30 DFEDLO C=CCC1(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCCC1 ZINC000418727914 337393667 /nfs/dbraw/zinc/39/36/67/337393667.db2.gz NAVWURKZOSXCMH-CYBMUJFWSA-N 1 2 315.408 2.809 20 30 DFEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(C#N)CC2)c2ccccc21 ZINC000057880997 337458270 /nfs/dbraw/zinc/45/82/70/337458270.db2.gz ODPXIMAEDPERGK-UHFFFAOYSA-N 1 2 320.396 2.973 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496641919 340009559 /nfs/dbraw/zinc/00/95/59/340009559.db2.gz JHILCTFBYOVAFR-QWRGUYRKSA-N 1 2 319.243 2.883 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496641919 340009560 /nfs/dbraw/zinc/00/95/60/340009560.db2.gz JHILCTFBYOVAFR-QWRGUYRKSA-N 1 2 319.243 2.883 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccsc2C(F)(F)F)nn1 ZINC000527719653 337758950 /nfs/dbraw/zinc/75/89/50/337758950.db2.gz IPFPCYJEZDLEMF-UHFFFAOYSA-N 1 2 302.325 2.834 20 30 DFEDLO C=CCN(CCC#N)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000428833926 338061600 /nfs/dbraw/zinc/06/16/00/338061600.db2.gz KNGNGRZLICQRMV-CQSZACIVSA-N 1 2 323.400 2.805 20 30 DFEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429007412 338068633 /nfs/dbraw/zinc/06/86/33/338068633.db2.gz JZRZMTHEPAAZLB-LBPRGKRZSA-N 1 2 313.170 2.515 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1 ZINC000430115345 338097654 /nfs/dbraw/zinc/09/76/54/338097654.db2.gz VGSGRALBDNTNSU-UHFFFAOYSA-N 1 2 323.458 2.508 20 30 DFEDLO C[C@@H](NC(=O)NCC1(CC#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000430844514 338116870 /nfs/dbraw/zinc/11/68/70/338116870.db2.gz LXIZFNSSOPFXQN-CQSZACIVSA-N 1 2 323.400 2.926 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000432094939 338145490 /nfs/dbraw/zinc/14/54/90/338145490.db2.gz HNNLGBFBBPMDLF-UHFFFAOYSA-N 1 2 316.449 2.952 20 30 DFEDLO COC(=O)c1cnoc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433028113 338177141 /nfs/dbraw/zinc/17/71/41/338177141.db2.gz NOMURXHWOVQOPC-OAHLLOKOSA-N 1 2 313.357 2.986 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000433051986 338178661 /nfs/dbraw/zinc/17/86/61/338178661.db2.gz KDTFVUAYWFYGCE-OYHNWAKOSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000433051986 338178662 /nfs/dbraw/zinc/17/86/62/338178662.db2.gz KDTFVUAYWFYGCE-OYHNWAKOSA-N 1 2 320.458 2.712 20 30 DFEDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296754 338189919 /nfs/dbraw/zinc/18/99/19/338189919.db2.gz UGBBCJNTDNJDFC-KGLIPLIRSA-N 1 2 317.433 2.742 20 30 DFEDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296754 338189920 /nfs/dbraw/zinc/18/99/20/338189920.db2.gz UGBBCJNTDNJDFC-KGLIPLIRSA-N 1 2 317.433 2.742 20 30 DFEDLO CCCn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000155256987 338258745 /nfs/dbraw/zinc/25/87/45/338258745.db2.gz AVJOOROLFVKBMR-IBGZPJMESA-N 1 2 323.444 2.676 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438083304 338330439 /nfs/dbraw/zinc/33/04/39/338330439.db2.gz XGPZLJYHYBIBLJ-MRXNPFEDSA-N 1 2 303.377 2.983 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438083304 338330440 /nfs/dbraw/zinc/33/04/40/338330440.db2.gz XGPZLJYHYBIBLJ-MRXNPFEDSA-N 1 2 303.377 2.983 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000438279121 338338441 /nfs/dbraw/zinc/33/84/41/338338441.db2.gz HORIZHIMEKXUDV-GOSISDBHSA-N 1 2 313.401 2.922 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000439003768 338358229 /nfs/dbraw/zinc/35/82/29/338358229.db2.gz OCCJGYOFBKQSKP-MRXNPFEDSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000439003768 338358230 /nfs/dbraw/zinc/35/82/30/338358230.db2.gz OCCJGYOFBKQSKP-MRXNPFEDSA-N 1 2 318.465 2.855 20 30 DFEDLO C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000439003768 338358231 /nfs/dbraw/zinc/35/82/31/338358231.db2.gz OCCJGYOFBKQSKP-MRXNPFEDSA-N 1 2 318.465 2.855 20 30 DFEDLO C=CCOCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441506113 338415747 /nfs/dbraw/zinc/41/57/47/338415747.db2.gz ZTWYJWUMINRAAC-QGZVFWFLSA-N 1 2 313.401 2.560 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CCN2CCn3cc[nH+]c3C2)cc1 ZINC000446842045 338538101 /nfs/dbraw/zinc/53/81/01/338538101.db2.gz CFTFRYYGKNKQEK-UHFFFAOYSA-N 1 2 321.302 2.649 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000449242740 338605881 /nfs/dbraw/zinc/60/58/81/338605881.db2.gz YXJTTXGJWSSJDC-CZUORRHYSA-N 1 2 319.836 2.958 20 30 DFEDLO C=CC(C)(C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454320877 338860675 /nfs/dbraw/zinc/86/06/75/338860675.db2.gz BGHXCTFOVUQXSD-UHFFFAOYSA-N 1 2 302.422 2.562 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858744 338911431 /nfs/dbraw/zinc/91/14/31/338911431.db2.gz CLBOYMOEIIUBLL-MRVPVSSYSA-N 1 2 313.199 2.606 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456986862 338947650 /nfs/dbraw/zinc/94/76/50/338947650.db2.gz JMXCPHWTDRUQEW-MRXNPFEDSA-N 1 2 320.433 2.543 20 30 DFEDLO C=CCC[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000458567468 339000976 /nfs/dbraw/zinc/00/09/76/339000976.db2.gz HZGAHVVSMUQHGB-KRWDZBQOSA-N 1 2 312.417 2.969 20 30 DFEDLO CC#CCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458667097 339003020 /nfs/dbraw/zinc/00/30/20/339003020.db2.gz ULCSECUGBDDNIZ-UHFFFAOYSA-N 1 2 316.792 2.738 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459072231 339012690 /nfs/dbraw/zinc/01/26/90/339012690.db2.gz ZDWGGIXSRJYVLZ-CQSZACIVSA-N 1 2 316.405 2.997 20 30 DFEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000459172181 339015312 /nfs/dbraw/zinc/01/53/12/339015312.db2.gz IUKFUJYTZUBCFH-UHFFFAOYSA-N 1 2 311.389 2.585 20 30 DFEDLO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)c1nc2ccccc2s1 ZINC000459462443 339030624 /nfs/dbraw/zinc/03/06/24/339030624.db2.gz JUVUTJNQWSGJFP-NWDGAFQWSA-N 1 2 314.414 2.541 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295976 339230327 /nfs/dbraw/zinc/23/03/27/339230327.db2.gz XDIQQUWPMKIUJJ-OIISXLGYSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000467295976 339230328 /nfs/dbraw/zinc/23/03/28/339230328.db2.gz XDIQQUWPMKIUJJ-OIISXLGYSA-N 1 2 317.816 2.965 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000469702179 339295812 /nfs/dbraw/zinc/29/58/12/339295812.db2.gz IPLGRFKQIAWKCP-QGZVFWFLSA-N 1 2 303.377 2.983 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000469702179 339295813 /nfs/dbraw/zinc/29/58/13/339295813.db2.gz IPLGRFKQIAWKCP-QGZVFWFLSA-N 1 2 303.377 2.983 20 30 DFEDLO C=CCOC[C@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000482437581 339631235 /nfs/dbraw/zinc/63/12/35/339631235.db2.gz KMIVFENXABEKGT-WFASDCNBSA-N 1 2 311.809 2.777 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000491804131 339882944 /nfs/dbraw/zinc/88/29/44/339882944.db2.gz KJEZBLWFSVLUNG-KBPBESRZSA-N 1 2 316.449 2.597 20 30 DFEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1nc2c(s1)CCCC2 ZINC000492901458 339911991 /nfs/dbraw/zinc/91/19/91/339911991.db2.gz PIGQYJBUDRCDBZ-FPLPWBNLSA-N 1 2 314.414 2.977 20 30 DFEDLO CCOc1ccc(/C=[NH+]\CC2CCN(C(=O)OC)CC2)c(O)c1 ZINC000495611893 339988392 /nfs/dbraw/zinc/98/83/92/339988392.db2.gz NNWYSOINCMLARM-PDGQHHTCSA-N 1 2 320.389 2.688 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C\c2ccc(OCC)cc2O)CC1 ZINC000496745020 340011872 /nfs/dbraw/zinc/01/18/72/340011872.db2.gz ZWVGQKXUVHFIGM-PDGQHHTCSA-N 1 2 320.389 2.831 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NCC1(C#N)CC1 ZINC000517635182 340474251 /nfs/dbraw/zinc/47/42/51/340474251.db2.gz YFDRRTFBGLSJRW-UHFFFAOYSA-N 1 2 310.401 2.799 20 30 DFEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000193766157 340582652 /nfs/dbraw/zinc/58/26/52/340582652.db2.gz IDINGIDYBVJNTM-UHFFFAOYSA-N 1 2 315.417 2.725 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(CC#N)CC2)on1 ZINC000541023152 340956621 /nfs/dbraw/zinc/95/66/21/340956621.db2.gz AEIHIGPWBZEMDN-UHFFFAOYSA-N 1 2 304.394 2.536 20 30 DFEDLO N#CCC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000542883922 341025322 /nfs/dbraw/zinc/02/53/22/341025322.db2.gz YTEGUZIXAQJQAL-UHFFFAOYSA-N 1 2 310.401 2.980 20 30 DFEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)c(OC)c1OC ZINC000546635176 341176504 /nfs/dbraw/zinc/17/65/04/341176504.db2.gz NXSODCBVRSLMGZ-UHFFFAOYSA-N 1 2 313.357 2.786 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546690383 341178981 /nfs/dbraw/zinc/17/89/81/341178981.db2.gz MGFRXJHGRHEWGS-UHFFFAOYSA-N 1 2 319.832 2.963 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546690383 341178982 /nfs/dbraw/zinc/17/89/82/341178982.db2.gz MGFRXJHGRHEWGS-UHFFFAOYSA-N 1 2 319.832 2.963 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1 ZINC000547443100 341214022 /nfs/dbraw/zinc/21/40/22/341214022.db2.gz ANJQLZCZUNKDMJ-GOSISDBHSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1 ZINC000547443100 341214023 /nfs/dbraw/zinc/21/40/23/341214023.db2.gz ANJQLZCZUNKDMJ-GOSISDBHSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC000547652684 341225273 /nfs/dbraw/zinc/22/52/73/341225273.db2.gz WLEJJHQKUGCOLF-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC000547652684 341225274 /nfs/dbraw/zinc/22/52/74/341225274.db2.gz WLEJJHQKUGCOLF-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954613 341240490 /nfs/dbraw/zinc/24/04/90/341240490.db2.gz PWGQKIPFFFAVCQ-ZDUSSCGKSA-N 1 2 316.430 2.657 20 30 DFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000564342824 341250711 /nfs/dbraw/zinc/25/07/11/341250711.db2.gz HXGSUQJCDYVVLK-GOEBONIOSA-N 1 2 317.433 2.934 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000080040235 341268799 /nfs/dbraw/zinc/26/87/99/341268799.db2.gz VWXXXVXBEYVNQB-KGLIPLIRSA-N 1 2 305.397 2.827 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000080040235 341268800 /nfs/dbraw/zinc/26/88/00/341268800.db2.gz VWXXXVXBEYVNQB-KGLIPLIRSA-N 1 2 305.397 2.827 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000080612417 341274151 /nfs/dbraw/zinc/27/41/51/341274151.db2.gz AQIKBMYZUCGTNG-CYBMUJFWSA-N 1 2 307.825 2.914 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548778055 341275282 /nfs/dbraw/zinc/27/52/82/341275282.db2.gz NEMZLLZPJWPHCD-OAHLLOKOSA-N 1 2 311.389 2.899 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035241 341363724 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C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000311006009 534037735 /nfs/dbraw/zinc/03/77/35/534037735.db2.gz KTNROJJBFOOBLA-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356002102 517325751 /nfs/dbraw/zinc/32/57/51/517325751.db2.gz CIRMOULFOXNCDN-KBPBESRZSA-N 1 2 319.449 2.593 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccco1 ZINC000360707524 517341387 /nfs/dbraw/zinc/34/13/87/517341387.db2.gz LJCIHVSFDVYUNT-UHFFFAOYSA-N 1 2 301.375 2.750 20 30 DFEDLO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428348577 518185590 /nfs/dbraw/zinc/18/55/90/518185590.db2.gz MRJFLVQHVVVKLW-HTAPYJJXSA-N 1 2 316.401 2.907 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000296726171 534783706 /nfs/dbraw/zinc/78/37/06/534783706.db2.gz NTICBDIZYKHFJM-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000296726171 534783713 /nfs/dbraw/zinc/78/37/13/534783713.db2.gz 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C=CC[C@@H](CC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684903333 546300637 /nfs/dbraw/zinc/30/06/37/546300637.db2.gz FECWMGCTBSNZQM-CQSZACIVSA-N 1 2 300.406 2.839 20 30 DFEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC000736817739 598679774 /nfs/dbraw/zinc/67/97/74/598679774.db2.gz IFZFYGBRADYOAP-UHFFFAOYSA-N 1 2 322.347 2.509 20 30 DFEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC000736817739 598679776 /nfs/dbraw/zinc/67/97/76/598679776.db2.gz IFZFYGBRADYOAP-UHFFFAOYSA-N 1 2 322.347 2.509 20 30 DFEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821597593 606198014 /nfs/dbraw/zinc/19/80/14/606198014.db2.gz AOGMTNMJNXFZBN-UHFFFAOYSA-N 1 2 318.384 2.879 20 30 DFEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821597593 606198015 /nfs/dbraw/zinc/19/80/15/606198015.db2.gz AOGMTNMJNXFZBN-UHFFFAOYSA-N 1 2 318.384 2.879 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1c(C#N)cnc3ccccc31)C2 ZINC000371078410 282095957 /nfs/dbraw/zinc/09/59/57/282095957.db2.gz 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ZINC000596172710 398347278 /nfs/dbraw/zinc/34/72/78/398347278.db2.gz NBQPJZBWWYGGRQ-CQSZACIVSA-N 1 2 323.356 2.861 20 30 DFEDLO COc1ccc2ncc(C#N)c(N3CCn4cc(C)[nH+]c4C3)c2c1 ZINC000591928682 398357771 /nfs/dbraw/zinc/35/77/71/398357771.db2.gz AUBMMDNJBVZKRC-UHFFFAOYSA-N 1 2 319.368 2.640 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/CCCOC2CCCCC2)c1O ZINC000005111250 398350477 /nfs/dbraw/zinc/35/04/77/398350477.db2.gz XKQNEJLFGAYAKH-WOJGMQOQSA-N 1 2 306.406 2.746 20 30 DFEDLO CCc1nc(C#N)cc(N2CCCC[C@H]2c2[nH+]ccn2CC)n1 ZINC000596216898 398359077 /nfs/dbraw/zinc/35/90/77/398359077.db2.gz VXOYDLJSONDQNF-AWEZNQCLSA-N 1 2 310.405 2.859 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000066310724 398368581 /nfs/dbraw/zinc/36/85/81/398368581.db2.gz YPUQOXSCJGJVHW-LLVKDONJSA-N 1 2 307.781 2.585 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000066314328 398369461 /nfs/dbraw/zinc/36/94/61/398369461.db2.gz UATDLFKFAJOPQF-CQSZACIVSA-N 1 2 315.417 2.832 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000066424968 398376378 /nfs/dbraw/zinc/37/63/78/398376378.db2.gz DAXKGODWIARBIT-STQMWFEESA-N 1 2 323.387 2.966 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000066424968 398376379 /nfs/dbraw/zinc/37/63/79/398376379.db2.gz DAXKGODWIARBIT-STQMWFEESA-N 1 2 323.387 2.966 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000066470540 398380473 /nfs/dbraw/zinc/38/04/73/398380473.db2.gz SFHHMEXDRDEKMP-JQWIXIFHSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000066470540 398380476 /nfs/dbraw/zinc/38/04/76/398380476.db2.gz SFHHMEXDRDEKMP-JQWIXIFHSA-N 1 2 317.216 2.825 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@@H]3C#N)cn21 ZINC000596291484 398378539 /nfs/dbraw/zinc/37/85/39/398378539.db2.gz YEQAVNZYVQSLRO-HIFRSBDPSA-N 1 2 311.389 2.524 20 30 DFEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000592091720 398382427 /nfs/dbraw/zinc/38/24/27/398382427.db2.gz BDKZXLHASBNAJZ-AWEZNQCLSA-N 1 2 320.396 2.931 20 30 DFEDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592083533 398381236 /nfs/dbraw/zinc/38/12/36/398381236.db2.gz UUMVHOQMQDHVFK-CXAGYDPISA-N 1 2 309.369 2.593 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000579942517 398383847 /nfs/dbraw/zinc/38/38/47/398383847.db2.gz HSYNLYNMQXTCSY-LBPRGKRZSA-N 1 2 301.350 2.532 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066559928 398384603 /nfs/dbraw/zinc/38/46/03/398384603.db2.gz URJBLFOYYDVQPH-MRXNPFEDSA-N 1 2 307.459 2.787 20 30 DFEDLO C=CC[N@H+](Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066559928 398384604 /nfs/dbraw/zinc/38/46/04/398384604.db2.gz URJBLFOYYDVQPH-MRXNPFEDSA-N 1 2 307.459 2.787 20 30 DFEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592105210 398384740 /nfs/dbraw/zinc/38/47/40/398384740.db2.gz NTXMIHOJHDOCGE-NSHDSACASA-N 1 2 315.348 2.960 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581028571 398387014 /nfs/dbraw/zinc/38/70/14/398387014.db2.gz HZOBZQLJIZLSKG-KRWDZBQOSA-N 1 2 309.413 2.703 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245727899 398387245 /nfs/dbraw/zinc/38/72/45/398387245.db2.gz BVEUZLLBVZHACC-PBQPPQDWSA-N 1 2 317.477 2.941 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245727899 398387247 /nfs/dbraw/zinc/38/72/47/398387247.db2.gz BVEUZLLBVZHACC-PBQPPQDWSA-N 1 2 317.477 2.941 20 30 DFEDLO CCOc1ccc([C@H](COC)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592122326 398387502 /nfs/dbraw/zinc/38/75/02/398387502.db2.gz YNLHELOBQANBBF-SFHVURJKSA-N 1 2 311.385 2.829 20 30 DFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146829 398391015 /nfs/dbraw/zinc/39/10/15/398391015.db2.gz GJJJLJYRNGVYAI-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146829 398391017 /nfs/dbraw/zinc/39/10/17/398391017.db2.gz GJJJLJYRNGVYAI-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000581598200 398391980 /nfs/dbraw/zinc/39/19/80/398391980.db2.gz IJECCJIKDYTBEV-BBRMVZONSA-N 1 2 324.384 2.820 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)c2nc3ccccn3c2C#N)c1C ZINC000181495568 199306138 /nfs/dbraw/zinc/30/61/38/199306138.db2.gz HQBWHTLGGDSFJT-UHFFFAOYSA-N 1 2 321.384 2.863 20 30 DFEDLO Cc1c[nH+]c(C)nc1N1CCCN(c2ccccc2C#N)CC1 ZINC000584751288 398406551 /nfs/dbraw/zinc/40/65/51/398406551.db2.gz VANNLQHCPXQOTN-UHFFFAOYSA-N 1 2 307.401 2.682 20 30 DFEDLO C[C@@H]1C[N@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@H](C)CO1 ZINC000596428006 398409498 /nfs/dbraw/zinc/40/94/98/398409498.db2.gz GJZOOWZIFUQVLX-ZIAGYGMSSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@@H]1C[N@@H+](CCNc2nc(C(C)(C)C)ccc2C#N)[C@H](C)CO1 ZINC000596428006 398409504 /nfs/dbraw/zinc/40/95/04/398409504.db2.gz GJZOOWZIFUQVLX-ZIAGYGMSSA-N 1 2 316.449 2.772 20 30 DFEDLO Cc1cc(N2CC(CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596433934 398410834 /nfs/dbraw/zinc/41/08/34/398410834.db2.gz TUUJQQACWRDVDN-UHFFFAOYSA-N 1 2 309.329 2.710 20 30 DFEDLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000592526735 398442540 /nfs/dbraw/zinc/44/25/40/398442540.db2.gz YSCLDMRTJTWNOU-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000592526735 398442542 /nfs/dbraw/zinc/44/25/42/398442542.db2.gz YSCLDMRTJTWNOU-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COc1cc(Cl)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Cl ZINC000592522457 398441055 /nfs/dbraw/zinc/44/10/55/398441055.db2.gz NKMAYQPAFHVXRM-AWEZNQCLSA-N 1 2 315.200 2.852 20 30 DFEDLO COc1cc(Cl)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Cl ZINC000592522457 398441057 /nfs/dbraw/zinc/44/10/57/398441057.db2.gz NKMAYQPAFHVXRM-AWEZNQCLSA-N 1 2 315.200 2.852 20 30 DFEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067657883 398449067 /nfs/dbraw/zinc/44/90/67/398449067.db2.gz XWPAGZGQAXOROK-VBQJREDUSA-N 1 2 315.417 2.631 20 30 DFEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067657883 398449071 /nfs/dbraw/zinc/44/90/71/398449071.db2.gz XWPAGZGQAXOROK-VBQJREDUSA-N 1 2 315.417 2.631 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000586778223 398457835 /nfs/dbraw/zinc/45/78/35/398457835.db2.gz ZDMLRFGYULPGPE-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000586778223 398457838 /nfs/dbraw/zinc/45/78/38/398457838.db2.gz ZDMLRFGYULPGPE-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000586819269 398465203 /nfs/dbraw/zinc/46/52/03/398465203.db2.gz ZBEJKZOIHRBTOE-ZDUSSCGKSA-N 1 2 321.384 2.530 20 30 DFEDLO CCC1(CC)CN(c2cc(C)[nH+]c(C)c2C#N)CC[S@@]1=O ZINC000302216755 282379083 /nfs/dbraw/zinc/37/90/83/282379083.db2.gz IXMNUHOVMWPUOZ-OAQYLSRUSA-N 1 2 305.447 2.698 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@H](C#N)CCC#N)c1ccccc1F ZINC000028690750 398475337 /nfs/dbraw/zinc/47/53/37/398475337.db2.gz JQJWASPTSSKTED-XJKSGUPXSA-N 1 2 311.364 2.682 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1F ZINC000028690754 398475424 /nfs/dbraw/zinc/47/54/24/398475424.db2.gz JQJWASPTSSKTED-CZUORRHYSA-N 1 2 311.364 2.682 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000028740062 398476139 /nfs/dbraw/zinc/47/61/39/398476139.db2.gz SLPKEWBNYDLHKO-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@@H](CC#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000596682942 398478867 /nfs/dbraw/zinc/47/88/67/398478867.db2.gz GFNQWXKXPDMIII-FZMZJTMJSA-N 1 2 316.792 2.829 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCC1 ZINC000596696723 398480300 /nfs/dbraw/zinc/48/03/00/398480300.db2.gz HDCGOTZOERSHKQ-UHFFFAOYSA-N 1 2 315.417 2.788 20 30 DFEDLO C=CCCSCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000596716045 398484296 /nfs/dbraw/zinc/48/42/96/398484296.db2.gz CXWHUVFQMQCFMH-GJZGRUSLSA-N 1 2 322.478 2.785 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000029443715 398485015 /nfs/dbraw/zinc/48/50/15/398485015.db2.gz WEFKKHOATQOYLE-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Fc1ccc(C#CC[NH+]2CCN(c3ncccc3F)CC2)cc1 ZINC000090633477 398490097 /nfs/dbraw/zinc/49/00/97/398490097.db2.gz SHRSGXQTRQMXOI-UHFFFAOYSA-N 1 2 313.351 2.534 20 30 DFEDLO N#CC1(CC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000596751410 398492573 /nfs/dbraw/zinc/49/25/73/398492573.db2.gz XPSFNNPREOUBCH-UHFFFAOYSA-N 1 2 314.433 2.742 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596750468 398492628 /nfs/dbraw/zinc/49/26/28/398492628.db2.gz ZRTGWANMODHULB-IAGOWNOFSA-N 1 2 322.412 2.834 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000068320680 398494708 /nfs/dbraw/zinc/49/47/08/398494708.db2.gz NSJCTZSYGSQCCB-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO CC[N@H+](CC(=O)N1CC[C@](F)(C#N)C1)Cc1ccccc1Cl ZINC000588704285 398504928 /nfs/dbraw/zinc/50/49/28/398504928.db2.gz FFFNOWGQIQXBBR-INIZCTEOSA-N 1 2 323.799 2.626 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC[C@](F)(C#N)C1)Cc1ccccc1Cl ZINC000588704285 398504930 /nfs/dbraw/zinc/50/49/30/398504930.db2.gz FFFNOWGQIQXBBR-INIZCTEOSA-N 1 2 323.799 2.626 20 30 DFEDLO COC[C@@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071893 398508135 /nfs/dbraw/zinc/50/81/35/398508135.db2.gz MSTPKUIXJRGHPP-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO COC[C@@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071893 398508139 /nfs/dbraw/zinc/50/81/39/398508139.db2.gz MSTPKUIXJRGHPP-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO COCC[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593001245 398517487 /nfs/dbraw/zinc/51/74/87/398517487.db2.gz CUUWRMQTCFIEIS-UHFFFAOYSA-N 1 2 324.428 2.740 20 30 DFEDLO COCC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593001245 398517490 /nfs/dbraw/zinc/51/74/90/398517490.db2.gz CUUWRMQTCFIEIS-UHFFFAOYSA-N 1 2 324.428 2.740 20 30 DFEDLO N#CC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000596866200 398517901 /nfs/dbraw/zinc/51/79/01/398517901.db2.gz MDTLXYUVKIUDJG-OAHLLOKOSA-N 1 2 315.421 2.704 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596900503 398525439 /nfs/dbraw/zinc/52/54/39/398525439.db2.gz OZCKAAIBYZJMCZ-CYBMUJFWSA-N 1 2 324.384 2.812 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596900503 398525442 /nfs/dbraw/zinc/52/54/42/398525442.db2.gz OZCKAAIBYZJMCZ-CYBMUJFWSA-N 1 2 324.384 2.812 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593058290 398533463 /nfs/dbraw/zinc/53/34/63/398533463.db2.gz LBOIPHKBKVRQBG-CVEARBPZSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593058290 398533467 /nfs/dbraw/zinc/53/34/67/398533467.db2.gz LBOIPHKBKVRQBG-CVEARBPZSA-N 1 2 321.465 2.561 20 30 DFEDLO CC(C)[C@H](CNc1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000068938197 398539901 /nfs/dbraw/zinc/53/99/01/398539901.db2.gz QFHNVJJHUBTGSB-HNNXBMFYSA-N 1 2 309.360 2.605 20 30 DFEDLO N#Cc1ccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1F ZINC000589349913 398548238 /nfs/dbraw/zinc/54/82/38/398548238.db2.gz ADEFBJPTUVBYBE-GFCCVEGCSA-N 1 2 313.336 2.593 20 30 DFEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000589494692 398557013 /nfs/dbraw/zinc/55/70/13/398557013.db2.gz YLRKRSDLIOKANS-UHFFFAOYSA-N 1 2 320.318 2.869 20 30 DFEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1Cl ZINC000593153328 398559890 /nfs/dbraw/zinc/55/98/90/398559890.db2.gz KWQALGRDZLRBJX-CQSZACIVSA-N 1 2 314.216 2.876 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1c(Cl)oc2ccccc21 ZINC000593153419 398560029 /nfs/dbraw/zinc/56/00/29/398560029.db2.gz OFRWJCLWNOFGEU-HNNXBMFYSA-N 1 2 305.765 2.660 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000597115089 398569566 /nfs/dbraw/zinc/56/95/66/398569566.db2.gz GMLRDBWPHPITRU-JTQLQIEISA-N 1 2 316.311 2.579 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]1 ZINC000331326893 233081810 /nfs/dbraw/zinc/08/18/10/233081810.db2.gz GOJFMUKQFLAKTJ-GFCCVEGCSA-N 1 2 311.389 2.589 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(C#N)CCCC1 ZINC000041979770 398578582 /nfs/dbraw/zinc/57/85/82/398578582.db2.gz YBHXAOVGLGRQPL-UHFFFAOYSA-N 1 2 310.401 2.935 20 30 DFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000597165850 398580859 /nfs/dbraw/zinc/58/08/59/398580859.db2.gz MVNQHBQJUCSKQD-XHDPSFHLSA-N 1 2 314.776 2.549 20 30 DFEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000597165850 398580860 /nfs/dbraw/zinc/58/08/60/398580860.db2.gz MVNQHBQJUCSKQD-XHDPSFHLSA-N 1 2 314.776 2.549 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC#Cc1ccccc1 ZINC000042063313 398581490 /nfs/dbraw/zinc/58/14/90/398581490.db2.gz AJINOZWUEFKGFK-UHFFFAOYSA-N 1 2 303.365 2.513 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OC ZINC000597174431 398582198 /nfs/dbraw/zinc/58/21/98/398582198.db2.gz QEKAAECKYQXBIJ-GFCCVEGCSA-N 1 2 319.361 2.738 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OC ZINC000597174431 398582200 /nfs/dbraw/zinc/58/22/00/398582200.db2.gz QEKAAECKYQXBIJ-GFCCVEGCSA-N 1 2 319.361 2.738 20 30 DFEDLO N#Cc1sccc1N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000597183612 398584095 /nfs/dbraw/zinc/58/40/95/398584095.db2.gz NMORRXRIDDEKRB-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000597183612 398584100 /nfs/dbraw/zinc/58/41/00/398584100.db2.gz NMORRXRIDDEKRB-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO CCCC(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000589983803 398586640 /nfs/dbraw/zinc/58/66/40/398586640.db2.gz ZSZNIMREMLIRRE-UHFFFAOYSA-N 1 2 303.381 2.578 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597196532 398587206 /nfs/dbraw/zinc/58/72/06/398587206.db2.gz FOETVWGXYLNWMA-JSGCOSHPSA-N 1 2 304.390 2.884 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597196533 398587884 /nfs/dbraw/zinc/58/78/84/398587884.db2.gz FOETVWGXYLNWMA-OCCSQVGLSA-N 1 2 304.390 2.884 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000589984842 398588041 /nfs/dbraw/zinc/58/80/41/398588041.db2.gz YKMXQHRAKSWMNL-OAHLLOKOSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000589984842 398588043 /nfs/dbraw/zinc/58/80/43/398588043.db2.gz YKMXQHRAKSWMNL-OAHLLOKOSA-N 1 2 313.380 2.743 20 30 DFEDLO COc1cc(OC)c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c(OC)c1 ZINC000597195768 398587605 /nfs/dbraw/zinc/58/76/05/398587605.db2.gz AERDNAHCGFVSLI-IUODEOHRSA-N 1 2 304.390 2.884 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1 ZINC000590002933 398589677 /nfs/dbraw/zinc/58/96/77/398589677.db2.gz MRFXTCPKGRDXAA-SFHVURJKSA-N 1 2 310.397 2.981 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1 ZINC000590002933 398589679 /nfs/dbraw/zinc/58/96/79/398589679.db2.gz MRFXTCPKGRDXAA-SFHVURJKSA-N 1 2 310.397 2.981 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000597206101 398589859 /nfs/dbraw/zinc/58/98/59/398589859.db2.gz LNPJWTVKSYHTTJ-OLZOCXBDSA-N 1 2 321.371 2.595 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000590002931 398589503 /nfs/dbraw/zinc/58/95/03/398589503.db2.gz MRFXTCPKGRDXAA-GOSISDBHSA-N 1 2 310.397 2.981 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000590002931 398589508 /nfs/dbraw/zinc/58/95/08/398589508.db2.gz MRFXTCPKGRDXAA-GOSISDBHSA-N 1 2 310.397 2.981 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000597206101 398589862 /nfs/dbraw/zinc/58/98/62/398589862.db2.gz LNPJWTVKSYHTTJ-OLZOCXBDSA-N 1 2 321.371 2.595 20 30 DFEDLO CC1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]2CCC[C@@H]21 ZINC000590147371 398601399 /nfs/dbraw/zinc/60/13/99/398601399.db2.gz YATFPUKJSXVFEV-UONOGXRCSA-N 1 2 310.405 2.755 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593352057 398605589 /nfs/dbraw/zinc/60/55/89/398605589.db2.gz BHHUWWWOJHKHFJ-UHFFFAOYSA-N 1 2 323.400 2.636 20 30 DFEDLO CC1CCN(c2ccc(CNC(=O)CC3(C#N)CC3)c[nH+]2)CC1 ZINC000590158633 398602228 /nfs/dbraw/zinc/60/22/28/398602228.db2.gz XVYQGOGVGRJNFE-UHFFFAOYSA-N 1 2 312.417 2.628 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc(CC2(C#N)CC2)n1 ZINC000590272732 398609038 /nfs/dbraw/zinc/60/90/38/398609038.db2.gz WZDICAFZGKGFLK-UHFFFAOYSA-N 1 2 307.357 2.876 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000593387170 398615557 /nfs/dbraw/zinc/61/55/57/398615557.db2.gz NGQFSUHDAUTFBX-AWEZNQCLSA-N 1 2 305.809 2.534 20 30 DFEDLO Cc1ccc(-c2noc([C@]3(C#N)C[C@H]3C)n2)c(N2CCCC2)[nH+]1 ZINC000351081284 398615599 /nfs/dbraw/zinc/61/55/99/398615599.db2.gz SVMXPAHPZSVBIO-DIFFPNOSSA-N 1 2 309.373 2.841 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@@]2(C#N)C[C@H]2C)n1 ZINC000351094014 398617182 /nfs/dbraw/zinc/61/71/82/398617182.db2.gz RIHOAWPUGDKWOU-PIGZYNQJSA-N 1 2 307.357 2.831 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc([C@@]2(C#N)C[C@H]2C)n1 ZINC000351093263 398617609 /nfs/dbraw/zinc/61/76/09/398617609.db2.gz QNSVZHGIYFXIEV-PIGZYNQJSA-N 1 2 307.357 2.772 20 30 DFEDLO N#Cc1cnc(NCC2CC[NH+](CC(F)F)CC2)c(Cl)c1 ZINC000590567839 398631638 /nfs/dbraw/zinc/63/16/38/398631638.db2.gz UFKYQZGTOUAYAC-UHFFFAOYSA-N 1 2 314.767 2.996 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000593462531 398635717 /nfs/dbraw/zinc/63/57/17/398635717.db2.gz VVRDYCYSPWXQRZ-QWHCGFSZSA-N 1 2 321.371 2.595 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000593462531 398635722 /nfs/dbraw/zinc/63/57/22/398635722.db2.gz VVRDYCYSPWXQRZ-QWHCGFSZSA-N 1 2 321.371 2.595 20 30 DFEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000191845593 186263209 /nfs/dbraw/zinc/26/32/09/186263209.db2.gz VFRVRPSOZFUDRJ-NHYWBVRUSA-N 1 2 306.793 2.843 20 30 DFEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000191845593 186263210 /nfs/dbraw/zinc/26/32/10/186263210.db2.gz VFRVRPSOZFUDRJ-NHYWBVRUSA-N 1 2 306.793 2.843 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000590669285 398648352 /nfs/dbraw/zinc/64/83/52/398648352.db2.gz AYSDXGFYWGGJLY-UHFFFAOYSA-N 1 2 321.384 2.537 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000094132031 398653609 /nfs/dbraw/zinc/65/36/09/398653609.db2.gz ORXLTBBDTJLBLC-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO OC(=Cc1csc(-c2ccc(F)cc2)n1)NC1=[NH+]CCS1 ZINC000044998001 398658788 /nfs/dbraw/zinc/65/87/88/398658788.db2.gz ABZHVFUPKLUACW-UHFFFAOYSA-N 1 2 321.402 2.711 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000593656263 398666986 /nfs/dbraw/zinc/66/69/86/398666986.db2.gz JUXJOGFUOKTXQI-WFASDCNBSA-N 1 2 300.406 2.512 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000590761856 398669186 /nfs/dbraw/zinc/66/91/86/398669186.db2.gz LZVSSQQOFYNHBJ-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOCC23CCCCC3)c1 ZINC000590761856 398669192 /nfs/dbraw/zinc/66/91/92/398669192.db2.gz LZVSSQQOFYNHBJ-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000331927206 234284879 /nfs/dbraw/zinc/28/48/79/234284879.db2.gz PCSFMFNQHZYWCD-OAHLLOKOSA-N 1 2 324.384 2.848 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331953151 234312690 /nfs/dbraw/zinc/31/26/90/234312690.db2.gz SUDQGDZSHPIVNS-SFHVURJKSA-N 1 2 324.428 2.791 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331953151 234312694 /nfs/dbraw/zinc/31/26/94/234312694.db2.gz SUDQGDZSHPIVNS-SFHVURJKSA-N 1 2 324.428 2.791 20 30 DFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000046087008 398695550 /nfs/dbraw/zinc/69/55/50/398695550.db2.gz FBRKJHROFMOWQM-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000046087008 398695553 /nfs/dbraw/zinc/69/55/53/398695553.db2.gz FBRKJHROFMOWQM-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C2 ZINC000597796422 398697016 /nfs/dbraw/zinc/69/70/16/398697016.db2.gz MSWZDDPIUQMITP-LRDDRELGSA-N 1 2 322.412 2.914 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000597796422 398697020 /nfs/dbraw/zinc/69/70/20/398697020.db2.gz MSWZDDPIUQMITP-LRDDRELGSA-N 1 2 322.412 2.914 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000412839259 398697996 /nfs/dbraw/zinc/69/79/96/398697996.db2.gz LHPJMTSJAGLWAG-IRXDYDNUSA-N 1 2 309.413 2.749 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000590912701 398699720 /nfs/dbraw/zinc/69/97/20/398699720.db2.gz QEXWGCJGZPSRGU-INIZCTEOSA-N 1 2 323.400 2.846 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000593937494 398704928 /nfs/dbraw/zinc/70/49/28/398704928.db2.gz YJUDJZVAYPFPSW-AWEZNQCLSA-N 1 2 323.400 2.522 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591051150 398718887 /nfs/dbraw/zinc/71/88/87/398718887.db2.gz SSWMITKCOWSBLM-FGTMMUONSA-N 1 2 320.396 2.722 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597906873 398717894 /nfs/dbraw/zinc/71/78/94/398717894.db2.gz SCPOKUBRWPACEU-AWEZNQCLSA-N 1 2 310.401 2.751 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594025952 398725243 /nfs/dbraw/zinc/72/52/43/398725243.db2.gz BWICSXKAHFZWSO-CQSZACIVSA-N 1 2 319.430 2.592 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594025952 398725247 /nfs/dbraw/zinc/72/52/47/398725247.db2.gz BWICSXKAHFZWSO-CQSZACIVSA-N 1 2 319.430 2.592 20 30 DFEDLO CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594032867 398726958 /nfs/dbraw/zinc/72/69/58/398726958.db2.gz BMKXBZZMYPBHGR-UHFFFAOYSA-N 1 2 308.385 2.785 20 30 DFEDLO CCOC(=O)CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000594050902 398732119 /nfs/dbraw/zinc/73/21/19/398732119.db2.gz KOFHZSFGPMSGQJ-UHFFFAOYSA-N 1 2 319.361 2.630 20 30 DFEDLO CCOC(=O)CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000594050902 398732124 /nfs/dbraw/zinc/73/21/24/398732124.db2.gz KOFHZSFGPMSGQJ-UHFFFAOYSA-N 1 2 319.361 2.630 20 30 DFEDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000236813147 202022558 /nfs/dbraw/zinc/02/25/58/202022558.db2.gz RYTMOPBNFOHJKO-UHFFFAOYSA-N 1 2 314.414 2.677 20 30 DFEDLO C[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)CC(F)(F)F ZINC000591193654 398738136 /nfs/dbraw/zinc/73/81/36/398738136.db2.gz OTBQZMNIJPZUIA-VIFPVBQESA-N 1 2 312.299 2.740 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)CCCn3cc[nH+]c3)CCC2)cc1 ZINC000594142361 398754462 /nfs/dbraw/zinc/75/44/62/398754462.db2.gz XSEXANJYOUKGHX-UHFFFAOYSA-N 1 2 308.385 2.731 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000594209077 398766561 /nfs/dbraw/zinc/76/65/61/398766561.db2.gz KITYUJBXINXDMW-JXMROGBWSA-N 1 2 311.429 2.928 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000594256597 398776234 /nfs/dbraw/zinc/77/62/34/398776234.db2.gz SIZFRDBVMWIYLW-HNNXBMFYSA-N 1 2 322.412 2.797 20 30 DFEDLO N#Cc1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000361795025 283181181 /nfs/dbraw/zinc/18/11/81/283181181.db2.gz CFMUUXPZIJVVJI-AWEZNQCLSA-N 1 2 323.356 2.942 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nnc([C@@H]4CCCOC4)o3)CC2)c1 ZINC000591704500 398782008 /nfs/dbraw/zinc/78/20/08/398782008.db2.gz ZWVVYKPWHYYQLK-CQSZACIVSA-N 1 2 324.384 2.614 20 30 DFEDLO CCOc1ccc([C@@H](COC)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000591766495 398786161 /nfs/dbraw/zinc/78/61/61/398786161.db2.gz SVZUVLNWHXXIRS-WMLDXEAASA-N 1 2 301.390 2.806 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1=O ZINC000281409968 334982615 /nfs/dbraw/zinc/98/26/15/334982615.db2.gz RADZPCYWHUAPNO-OALUTQOASA-N 1 2 321.424 2.856 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594406773 398793746 /nfs/dbraw/zinc/79/37/46/398793746.db2.gz MLEJLHIGFYKUNI-CYBMUJFWSA-N 1 2 308.385 2.656 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594406773 398793751 /nfs/dbraw/zinc/79/37/51/398793751.db2.gz MLEJLHIGFYKUNI-CYBMUJFWSA-N 1 2 308.385 2.656 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1C#N ZINC000276721843 213067318 /nfs/dbraw/zinc/06/73/18/213067318.db2.gz FMJAKMVTGZXJRT-GOSISDBHSA-N 1 2 323.444 2.846 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1C#N ZINC000276721843 213067320 /nfs/dbraw/zinc/06/73/20/213067320.db2.gz FMJAKMVTGZXJRT-GOSISDBHSA-N 1 2 323.444 2.846 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccccc1OCC ZINC000052164081 398834320 /nfs/dbraw/zinc/83/43/20/398834320.db2.gz XGMLUBSNDPHFAY-UHFFFAOYSA-N 1 2 302.418 2.718 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccccc1OCC ZINC000052164081 398834321 /nfs/dbraw/zinc/83/43/21/398834321.db2.gz XGMLUBSNDPHFAY-UHFFFAOYSA-N 1 2 302.418 2.718 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000598595338 398838235 /nfs/dbraw/zinc/83/82/35/398838235.db2.gz IHELRAWYGDTUCS-ZDUSSCGKSA-N 1 2 315.392 2.966 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000598595338 398838239 /nfs/dbraw/zinc/83/82/39/398838239.db2.gz IHELRAWYGDTUCS-ZDUSSCGKSA-N 1 2 315.392 2.966 20 30 DFEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Br)cn1 ZINC000598603801 398839921 /nfs/dbraw/zinc/83/99/21/398839921.db2.gz KGYUGMBERDAZRT-UHFFFAOYSA-N 1 2 324.222 2.978 20 30 DFEDLO C[C@H](CC#N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000594733763 398851178 /nfs/dbraw/zinc/85/11/78/398851178.db2.gz DYVWQNRPWWCSSD-HIFRSBDPSA-N 1 2 312.373 2.660 20 30 DFEDLO C[C@H](CC#N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000594733763 398851182 /nfs/dbraw/zinc/85/11/82/398851182.db2.gz DYVWQNRPWWCSSD-HIFRSBDPSA-N 1 2 312.373 2.660 20 30 DFEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC2CC2)n2c1CCCC2 ZINC000598670751 398851529 /nfs/dbraw/zinc/85/15/29/398851529.db2.gz OVDFNHARGHKQOF-UHFFFAOYSA-N 1 2 315.417 2.737 20 30 DFEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC2CC2)n2c1CCCC2 ZINC000598670751 398851530 /nfs/dbraw/zinc/85/15/30/398851530.db2.gz OVDFNHARGHKQOF-UHFFFAOYSA-N 1 2 315.417 2.737 20 30 DFEDLO CC[N@@H+](Cc1cc(C(=O)OC)c2n1CCCC2)C[C@H](C)C#N ZINC000598679716 398854590 /nfs/dbraw/zinc/85/45/90/398854590.db2.gz ZAMWMIBJJVWNII-CYBMUJFWSA-N 1 2 303.406 2.593 20 30 DFEDLO CC[N@H+](Cc1cc(C(=O)OC)c2n1CCCC2)C[C@H](C)C#N ZINC000598679716 398854593 /nfs/dbraw/zinc/85/45/93/398854593.db2.gz ZAMWMIBJJVWNII-CYBMUJFWSA-N 1 2 303.406 2.593 20 30 DFEDLO C=CCCCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000076650459 398864145 /nfs/dbraw/zinc/86/41/45/398864145.db2.gz VHMOSZGKUNOBLX-UHFFFAOYSA-N 1 2 302.418 2.557 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1CC(F)(F)F ZINC000180835187 199215814 /nfs/dbraw/zinc/21/58/14/199215814.db2.gz WLVJFHMKEWDFSS-SNVBAGLBSA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1CC(F)(F)F ZINC000180835187 199215816 /nfs/dbraw/zinc/21/58/16/199215816.db2.gz WLVJFHMKEWDFSS-SNVBAGLBSA-N 1 2 303.353 2.688 20 30 DFEDLO Cn1ncc(Br)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980787 398886198 /nfs/dbraw/zinc/88/61/98/398886198.db2.gz APJSWAUIEKASHV-UHFFFAOYSA-N 1 2 311.227 2.746 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000186927138 200032688 /nfs/dbraw/zinc/03/26/88/200032688.db2.gz GNUBRSJUGMTYJH-UHFFFAOYSA-N 1 2 306.793 2.797 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000077489699 398906666 /nfs/dbraw/zinc/90/66/66/398906666.db2.gz XRFSETPWGZSWMC-UHFFFAOYSA-N 1 2 304.357 2.539 20 30 DFEDLO C[C@@H]1C[N@H+](CCSc2nc3c(cc2C#N)CCCC3)CCO1 ZINC000188283410 200221753 /nfs/dbraw/zinc/22/17/53/200221753.db2.gz OQCQKAYYYCHEJA-CYBMUJFWSA-N 1 2 317.458 2.645 20 30 DFEDLO C[C@@H]1C[N@@H+](CCSc2nc3c(cc2C#N)CCCC3)CCO1 ZINC000188283410 200221754 /nfs/dbraw/zinc/22/17/54/200221754.db2.gz OQCQKAYYYCHEJA-CYBMUJFWSA-N 1 2 317.458 2.645 20 30 DFEDLO C=C(Cl)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282235165 334990897 /nfs/dbraw/zinc/99/08/97/334990897.db2.gz SDTNAVTZFPYXFU-ZDUSSCGKSA-N 1 2 322.840 2.861 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595435267 398937776 /nfs/dbraw/zinc/93/77/76/398937776.db2.gz DJGBAYZRSXJUOG-KRWDZBQOSA-N 1 2 300.402 2.812 20 30 DFEDLO N#Cc1ccc(CC[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000595434802 398938082 /nfs/dbraw/zinc/93/80/82/398938082.db2.gz FRLHDHFUEUBESV-UHFFFAOYSA-N 1 2 323.371 2.589 20 30 DFEDLO N#Cc1ccc(CC[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000595434802 398938084 /nfs/dbraw/zinc/93/80/84/398938084.db2.gz FRLHDHFUEUBESV-UHFFFAOYSA-N 1 2 323.371 2.589 20 30 DFEDLO C/C=C\C[C@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000599201315 398938845 /nfs/dbraw/zinc/93/88/45/398938845.db2.gz IXICBKUDJIUPPB-SFAKSCPVSA-N 1 2 310.405 2.923 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000599283358 398947066 /nfs/dbraw/zinc/94/70/66/398947066.db2.gz WFWPZVUDVUEAEY-UHFFFAOYSA-N 1 2 319.405 2.745 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C#N)c1ccccc1 ZINC000595478455 398946924 /nfs/dbraw/zinc/94/69/24/398946924.db2.gz CYWYLVUPCZMCPT-TVFCKZIOSA-N 1 2 300.402 2.503 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C#N)c1ccccc1 ZINC000595478455 398946927 /nfs/dbraw/zinc/94/69/27/398946927.db2.gz CYWYLVUPCZMCPT-TVFCKZIOSA-N 1 2 300.402 2.503 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C#N)c1ccccc1 ZINC000595478454 398947003 /nfs/dbraw/zinc/94/70/03/398947003.db2.gz CYWYLVUPCZMCPT-OWSLCNJRSA-N 1 2 300.402 2.503 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C#N)c1ccccc1 ZINC000595478454 398947006 /nfs/dbraw/zinc/94/70/06/398947006.db2.gz CYWYLVUPCZMCPT-OWSLCNJRSA-N 1 2 300.402 2.503 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000078320963 398948037 /nfs/dbraw/zinc/94/80/37/398948037.db2.gz QXRTZNGXIPQHAP-NSHDSACASA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000078320963 398948043 /nfs/dbraw/zinc/94/80/43/398948043.db2.gz QXRTZNGXIPQHAP-NSHDSACASA-N 1 2 303.189 2.579 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)CCO2)n1 ZINC000599290535 398948215 /nfs/dbraw/zinc/94/82/15/398948215.db2.gz VWTIGCRSHCGVBB-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)CCO2)n1 ZINC000599290535 398948218 /nfs/dbraw/zinc/94/82/18/398948218.db2.gz VWTIGCRSHCGVBB-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO C=CC[N@H+](CC(=O)NCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000599283358 398947068 /nfs/dbraw/zinc/94/70/68/398947068.db2.gz WFWPZVUDVUEAEY-UHFFFAOYSA-N 1 2 319.405 2.745 20 30 DFEDLO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599300342 398950544 /nfs/dbraw/zinc/95/05/44/398950544.db2.gz PMSCEKRETNYAOW-JSGCOSHPSA-N 1 2 323.462 2.727 20 30 DFEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599300342 398950547 /nfs/dbraw/zinc/95/05/47/398950547.db2.gz PMSCEKRETNYAOW-JSGCOSHPSA-N 1 2 323.462 2.727 20 30 DFEDLO CC(C)COC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000272003563 209375615 /nfs/dbraw/zinc/37/56/15/209375615.db2.gz IJIAKFMFGVMXPR-UHFFFAOYSA-N 1 2 316.401 2.601 20 30 DFEDLO N#CC[N@H+](CCCOc1ccc2c(c1)OCO2)C1CCCC1 ZINC000156729550 398952278 /nfs/dbraw/zinc/95/22/78/398952278.db2.gz YMNUAWYLCNHVMO-UHFFFAOYSA-N 1 2 302.374 2.952 20 30 DFEDLO N#CC[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CCCC1 ZINC000156729550 398952281 /nfs/dbraw/zinc/95/22/81/398952281.db2.gz YMNUAWYLCNHVMO-UHFFFAOYSA-N 1 2 302.374 2.952 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595552264 398967324 /nfs/dbraw/zinc/96/73/24/398967324.db2.gz RTLPFROJYWBLCK-INIZCTEOSA-N 1 2 313.401 2.545 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000056878831 398997245 /nfs/dbraw/zinc/99/72/45/398997245.db2.gz KTEGOGFYAWPSCF-CQSZACIVSA-N 1 2 316.380 2.809 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)CC2 ZINC000599508014 398999095 /nfs/dbraw/zinc/99/90/95/398999095.db2.gz MAFQEOUUQSBAME-RDTXWAMCSA-N 1 2 314.433 2.733 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595616555 399002999 /nfs/dbraw/zinc/00/29/99/399002999.db2.gz RUPVQLHKAXSMRA-OCCSQVGLSA-N 1 2 314.389 2.721 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595616555 399003002 /nfs/dbraw/zinc/00/30/02/399003002.db2.gz RUPVQLHKAXSMRA-OCCSQVGLSA-N 1 2 314.389 2.721 20 30 DFEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000600205161 399004016 /nfs/dbraw/zinc/00/40/16/399004016.db2.gz PYGKWIWVZIQBAK-KRWDZBQOSA-N 1 2 306.381 2.930 20 30 DFEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000600205161 399004020 /nfs/dbraw/zinc/00/40/20/399004020.db2.gz PYGKWIWVZIQBAK-KRWDZBQOSA-N 1 2 306.381 2.930 20 30 DFEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000600205162 399003690 /nfs/dbraw/zinc/00/36/90/399003690.db2.gz PYGKWIWVZIQBAK-QGZVFWFLSA-N 1 2 306.381 2.930 20 30 DFEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000600205162 399003696 /nfs/dbraw/zinc/00/36/96/399003696.db2.gz PYGKWIWVZIQBAK-QGZVFWFLSA-N 1 2 306.381 2.930 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595622913 399006147 /nfs/dbraw/zinc/00/61/47/399006147.db2.gz FVCJFKKBNAWZCI-CQSZACIVSA-N 1 2 306.431 2.606 20 30 DFEDLO CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595622913 399006151 /nfs/dbraw/zinc/00/61/51/399006151.db2.gz FVCJFKKBNAWZCI-CQSZACIVSA-N 1 2 306.431 2.606 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(C)n1 ZINC000595629028 399010253 /nfs/dbraw/zinc/01/02/53/399010253.db2.gz ASDKZIWZHKBTLV-UHFFFAOYSA-N 1 2 312.442 2.954 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)COC ZINC000595646454 399017212 /nfs/dbraw/zinc/01/72/12/399017212.db2.gz JXKBUVTXMJJCHS-CYBMUJFWSA-N 1 2 312.373 2.631 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)COC ZINC000595646454 399017216 /nfs/dbraw/zinc/01/72/16/399017216.db2.gz JXKBUVTXMJJCHS-CYBMUJFWSA-N 1 2 312.373 2.631 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582297 399021291 /nfs/dbraw/zinc/02/12/91/399021291.db2.gz MOKHVOLIQNJWQV-CZUORRHYSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582297 399021299 /nfs/dbraw/zinc/02/12/99/399021299.db2.gz MOKHVOLIQNJWQV-CZUORRHYSA-N 1 2 315.417 2.753 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1C ZINC000275378742 212299789 /nfs/dbraw/zinc/29/97/89/212299789.db2.gz ANHIPTALQRXEBN-QGZVFWFLSA-N 1 2 304.434 2.566 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1C ZINC000275378742 212299793 /nfs/dbraw/zinc/29/97/93/212299793.db2.gz ANHIPTALQRXEBN-QGZVFWFLSA-N 1 2 304.434 2.566 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599596152 399025993 /nfs/dbraw/zinc/02/59/93/399025993.db2.gz NVKQREHKIITJRN-QLFBSQMISA-N 1 2 305.422 2.730 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599596152 399025998 /nfs/dbraw/zinc/02/59/98/399025998.db2.gz NVKQREHKIITJRN-QLFBSQMISA-N 1 2 305.422 2.730 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674691 399028924 /nfs/dbraw/zinc/02/89/24/399028924.db2.gz KIBOTZCTIVAMMU-HOCLYGCPSA-N 1 2 315.417 2.957 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674691 399028927 /nfs/dbraw/zinc/02/89/27/399028927.db2.gz KIBOTZCTIVAMMU-HOCLYGCPSA-N 1 2 315.417 2.957 20 30 DFEDLO CCC[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079298315 399032445 /nfs/dbraw/zinc/03/24/45/399032445.db2.gz XPABTYUHWKBXTG-ZWKOTPCHSA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000057374110 399035096 /nfs/dbraw/zinc/03/50/96/399035096.db2.gz VRXLBVNEAAKJCO-CQSZACIVSA-N 1 2 311.389 2.595 20 30 DFEDLO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595694083 399037302 /nfs/dbraw/zinc/03/73/02/399037302.db2.gz WVQGLBLAXVSOBA-ZIAGYGMSSA-N 1 2 301.390 2.696 20 30 DFEDLO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)n(C(C)(C)C)n1 ZINC000595692412 399037342 /nfs/dbraw/zinc/03/73/42/399037342.db2.gz NWBWSXDLCRHQEC-UONOGXRCSA-N 1 2 317.437 2.557 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1nnnn1C1CCCCC1 ZINC000595694522 399037970 /nfs/dbraw/zinc/03/79/70/399037970.db2.gz OCTNGGBXTUDFOQ-GZBFAFLISA-N 1 2 302.426 2.911 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595701625 399044031 /nfs/dbraw/zinc/04/40/31/399044031.db2.gz UBWJUWVJZVLSSA-ZYHUDNBSSA-N 1 2 300.318 2.908 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595701621 399044390 /nfs/dbraw/zinc/04/43/90/399044390.db2.gz UBWJUWVJZVLSSA-PWSUYJOCSA-N 1 2 300.318 2.908 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000595704137 399045636 /nfs/dbraw/zinc/04/56/36/399045636.db2.gz QQLDEJOBROZTPT-RYUDHWBXSA-N 1 2 314.414 2.907 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000599668370 399053612 /nfs/dbraw/zinc/05/36/12/399053612.db2.gz XDBYBCICKPWYNZ-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000599668370 399053615 /nfs/dbraw/zinc/05/36/15/399053615.db2.gz XDBYBCICKPWYNZ-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000599667126 399053941 /nfs/dbraw/zinc/05/39/41/399053941.db2.gz PRMKEMCQPPUPIG-GOSISDBHSA-N 1 2 306.365 2.831 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000599667126 399053947 /nfs/dbraw/zinc/05/39/47/399053947.db2.gz PRMKEMCQPPUPIG-GOSISDBHSA-N 1 2 306.365 2.831 20 30 DFEDLO C=CCCCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000681159807 545605165 /nfs/dbraw/zinc/60/51/65/545605165.db2.gz AHTVJIYHMBEDTH-UHFFFAOYSA-N 1 2 300.406 2.841 20 30 DFEDLO COC(=O)c1coc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678818 399058268 /nfs/dbraw/zinc/05/82/68/399058268.db2.gz NFHMOTUWSZSJHS-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO COC(=O)c1coc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678818 399058276 /nfs/dbraw/zinc/05/82/76/399058276.db2.gz NFHMOTUWSZSJHS-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc(Br)cc2C#N)C[C@@H](C)C1O ZINC000595731240 399060382 /nfs/dbraw/zinc/06/03/82/399060382.db2.gz COSAOJVGUQGPTQ-GHMZBOCLSA-N 1 2 323.234 2.769 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1)C2 ZINC000599686293 399062443 /nfs/dbraw/zinc/06/24/43/399062443.db2.gz PGKSOAKAGVODNN-UHFFFAOYSA-N 1 2 305.381 2.749 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1)C2 ZINC000599686293 399062451 /nfs/dbraw/zinc/06/24/51/399062451.db2.gz PGKSOAKAGVODNN-UHFFFAOYSA-N 1 2 305.381 2.749 20 30 DFEDLO C=CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000275210401 212198276 /nfs/dbraw/zinc/19/82/76/212198276.db2.gz HRPKHCNLGLZJEX-CQSZACIVSA-N 1 2 318.808 2.990 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(F)c1 ZINC000305177463 284039091 /nfs/dbraw/zinc/03/90/91/284039091.db2.gz VOWLPAZNLCQKFW-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nnc2n1CCCCC2 ZINC000595800967 399089693 /nfs/dbraw/zinc/08/96/93/399089693.db2.gz UYLUDKAATNPJDX-HNNXBMFYSA-N 1 2 310.405 2.512 20 30 DFEDLO CC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595802066 399090565 /nfs/dbraw/zinc/09/05/65/399090565.db2.gz YQPHMLRBYOCBMZ-HNNXBMFYSA-N 1 2 310.405 2.512 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595816296 399097007 /nfs/dbraw/zinc/09/70/07/399097007.db2.gz VTYCXNMDFAVNPD-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595816296 399097014 /nfs/dbraw/zinc/09/70/14/399097014.db2.gz VTYCXNMDFAVNPD-CQSZACIVSA-N 1 2 313.401 2.530 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@H](C)C#N ZINC000595818900 399098311 /nfs/dbraw/zinc/09/83/11/399098311.db2.gz ZOWCNLIMCRSVLG-LLVKDONJSA-N 1 2 309.797 2.911 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@H](C)C#N ZINC000595818900 399098318 /nfs/dbraw/zinc/09/83/18/399098318.db2.gz ZOWCNLIMCRSVLG-LLVKDONJSA-N 1 2 309.797 2.911 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833082 399104515 /nfs/dbraw/zinc/10/45/15/399104515.db2.gz FNXPCFVDTXIFKQ-MJGOQNOKSA-N 1 2 311.429 2.976 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833082 399104518 /nfs/dbraw/zinc/10/45/18/399104518.db2.gz FNXPCFVDTXIFKQ-MJGOQNOKSA-N 1 2 311.429 2.976 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284203700 335010427 /nfs/dbraw/zinc/01/04/27/335010427.db2.gz SNTIJJWXIJSOIN-AWEZNQCLSA-N 1 2 311.422 2.639 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284203700 335010428 /nfs/dbraw/zinc/01/04/28/335010428.db2.gz SNTIJJWXIJSOIN-AWEZNQCLSA-N 1 2 311.422 2.639 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834596 399105518 /nfs/dbraw/zinc/10/55/18/399105518.db2.gz MWWYCQJKYRMFPO-OGHNNQOOSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834596 399105525 /nfs/dbraw/zinc/10/55/25/399105525.db2.gz MWWYCQJKYRMFPO-OGHNNQOOSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835379 399105712 /nfs/dbraw/zinc/10/57/12/399105712.db2.gz QVZJPZNOZNYQRL-DYVFJYSZSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835379 399105715 /nfs/dbraw/zinc/10/57/15/399105715.db2.gz QVZJPZNOZNYQRL-DYVFJYSZSA-N 1 2 303.381 2.581 20 30 DFEDLO C#CC[N@@H+](CC)Cc1nc2ccc(Br)cc2n1C ZINC000275100465 212119264 /nfs/dbraw/zinc/11/92/64/212119264.db2.gz LMLJKLFIOFAWEO-UHFFFAOYSA-N 1 2 306.207 2.791 20 30 DFEDLO C#CC[N@H+](CC)Cc1nc2ccc(Br)cc2n1C ZINC000275100465 212119265 /nfs/dbraw/zinc/11/92/65/212119265.db2.gz LMLJKLFIOFAWEO-UHFFFAOYSA-N 1 2 306.207 2.791 20 30 DFEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000599876708 399108531 /nfs/dbraw/zinc/10/85/31/399108531.db2.gz LUUWZQAPQOOAJZ-HNNXBMFYSA-N 1 2 317.820 2.724 20 30 DFEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000599876708 399108534 /nfs/dbraw/zinc/10/85/34/399108534.db2.gz LUUWZQAPQOOAJZ-HNNXBMFYSA-N 1 2 317.820 2.724 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2cncc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2)C1 ZINC000595842484 399109152 /nfs/dbraw/zinc/10/91/52/399109152.db2.gz RVTRWXYZVSGILT-OALUTQOASA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2cncc(C[N@H+]3CC[C@@](C)(C#N)C3)c2)C1 ZINC000595842484 399109156 /nfs/dbraw/zinc/10/91/56/399109156.db2.gz RVTRWXYZVSGILT-OALUTQOASA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cncc(CN3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842482 399109388 /nfs/dbraw/zinc/10/93/88/399109388.db2.gz RVTRWXYZVSGILT-KDURUIRLSA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cncc(CN3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842482 399109393 /nfs/dbraw/zinc/10/93/93/399109393.db2.gz RVTRWXYZVSGILT-KDURUIRLSA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2cncc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842482 399109400 /nfs/dbraw/zinc/10/94/00/399109400.db2.gz RVTRWXYZVSGILT-KDURUIRLSA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@@]1(C#N)CCN(Cc2cncc(C[N@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842482 399109404 /nfs/dbraw/zinc/10/94/04/399109404.db2.gz RVTRWXYZVSGILT-KDURUIRLSA-N 1 2 323.444 2.553 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600679036 399115796 /nfs/dbraw/zinc/11/57/96/399115796.db2.gz YFZSTNJJXVPFKR-LJQANCHMSA-N 1 2 324.428 2.752 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191646 284156785 /nfs/dbraw/zinc/15/67/85/284156785.db2.gz KWFLOHVHPDGZFJ-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191646 284156787 /nfs/dbraw/zinc/15/67/87/284156787.db2.gz KWFLOHVHPDGZFJ-KGLIPLIRSA-N 1 2 316.298 2.975 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512480 193262559 /nfs/dbraw/zinc/26/25/59/193262559.db2.gz YRBQHVWSYWNFKR-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000093512480 193262560 /nfs/dbraw/zinc/26/25/60/193262560.db2.gz YRBQHVWSYWNFKR-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916014 399135624 /nfs/dbraw/zinc/13/56/24/399135624.db2.gz KJFPMNMJNUKSOE-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595916014 399135627 /nfs/dbraw/zinc/13/56/27/399135627.db2.gz KJFPMNMJNUKSOE-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917434 399134892 /nfs/dbraw/zinc/13/48/92/399134892.db2.gz MLCGRFVNIGBMPG-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917434 399134897 /nfs/dbraw/zinc/13/48/97/399134897.db2.gz MLCGRFVNIGBMPG-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595916015 399135263 /nfs/dbraw/zinc/13/52/63/399135263.db2.gz KJFPMNMJNUKSOE-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595916015 399135269 /nfs/dbraw/zinc/13/52/69/399135269.db2.gz KJFPMNMJNUKSOE-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)c(C#N)c1 ZINC000600778583 399142948 /nfs/dbraw/zinc/14/29/48/399142948.db2.gz YHMAMRINXGUVII-OAHLLOKOSA-N 1 2 320.396 2.630 20 30 DFEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(Cl)cc2)C(C)(C)C1 ZINC000182217690 399142939 /nfs/dbraw/zinc/14/29/39/399142939.db2.gz WNRPNDIWCUWHPJ-UHFFFAOYSA-N 1 2 304.821 2.634 20 30 DFEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C(C)(C)C1 ZINC000182217690 399142944 /nfs/dbraw/zinc/14/29/44/399142944.db2.gz WNRPNDIWCUWHPJ-UHFFFAOYSA-N 1 2 304.821 2.634 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CCCC[C@H]2C#N)CC1(C)C ZINC000596008112 399146682 /nfs/dbraw/zinc/14/66/82/399146682.db2.gz IHNSXCGEYLOWLQ-IHRRRGAJSA-N 1 2 315.421 2.595 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000596008113 399147080 /nfs/dbraw/zinc/14/70/80/399147080.db2.gz IHNSXCGEYLOWLQ-MCIONIFRSA-N 1 2 315.421 2.595 20 30 DFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000264640526 204046880 /nfs/dbraw/zinc/04/68/80/204046880.db2.gz MTSATMVKPHQDMP-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551338 399158385 /nfs/dbraw/zinc/15/83/85/399158385.db2.gz SELAXLQHSNNDMZ-UONOGXRCSA-N 1 2 311.389 2.734 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185200369 399158850 /nfs/dbraw/zinc/15/88/50/399158850.db2.gz IYLKTYVOQALRKO-OLZOCXBDSA-N 1 2 322.453 2.831 20 30 DFEDLO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)cn1 ZINC000614171540 399169295 /nfs/dbraw/zinc/16/92/95/399169295.db2.gz PZIZEBBJCZMNCN-SFHVURJKSA-N 1 2 324.428 2.795 20 30 DFEDLO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)cn1 ZINC000614171540 399169297 /nfs/dbraw/zinc/16/92/97/399169297.db2.gz PZIZEBBJCZMNCN-SFHVURJKSA-N 1 2 324.428 2.795 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176793 399170130 /nfs/dbraw/zinc/17/01/30/399170130.db2.gz ILGRBUMAOQYPNL-INIZCTEOSA-N 1 2 309.417 2.953 20 30 DFEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176793 399170132 /nfs/dbraw/zinc/17/01/32/399170132.db2.gz ILGRBUMAOQYPNL-INIZCTEOSA-N 1 2 309.417 2.953 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c(C#N)c1C ZINC000080922491 399189208 /nfs/dbraw/zinc/18/92/08/399189208.db2.gz HATVPKNRVYXXNA-UHFFFAOYSA-N 1 2 313.357 2.544 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c(C#N)c1C ZINC000080922491 399189215 /nfs/dbraw/zinc/18/92/15/399189215.db2.gz HATVPKNRVYXXNA-UHFFFAOYSA-N 1 2 313.357 2.544 20 30 DFEDLO N#CC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC2(CC2)C1 ZINC000600982355 399194214 /nfs/dbraw/zinc/19/42/14/399194214.db2.gz VQARPZSHOFKDES-UHFFFAOYSA-N 1 2 320.396 2.632 20 30 DFEDLO C#CC[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1 ZINC000271678819 209121304 /nfs/dbraw/zinc/12/13/04/209121304.db2.gz ICBLHVOCNOGSHU-IBGZPJMESA-N 1 2 322.408 2.536 20 30 DFEDLO N#CC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC2(CC2)C1 ZINC000600983986 399195136 /nfs/dbraw/zinc/19/51/36/399195136.db2.gz PRSQRWTTYMOQBR-UHFFFAOYSA-N 1 2 314.776 2.688 20 30 DFEDLO C=CCOCCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000266484279 205380994 /nfs/dbraw/zinc/38/09/94/205380994.db2.gz QWSJTFZOYLLUND-UHFFFAOYSA-N 1 2 313.401 2.746 20 30 DFEDLO OC(=Cc1csc(-c2cccs2)n1)NC1=[NH+]CCS1 ZINC000017336432 182084069 /nfs/dbraw/zinc/08/40/69/182084069.db2.gz VYVGZNWWQGQJQX-UHFFFAOYSA-N 1 2 309.441 2.633 20 30 DFEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000192057074 335022905 /nfs/dbraw/zinc/02/29/05/335022905.db2.gz HTPYQMTZGICJOZ-UHFFFAOYSA-N 1 2 314.429 2.533 20 30 DFEDLO C#CC[N@@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000192222693 335023858 /nfs/dbraw/zinc/02/38/58/335023858.db2.gz VXWOAFOYLZONDG-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C#CC[N@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000192222693 335023860 /nfs/dbraw/zinc/02/38/60/335023860.db2.gz VXWOAFOYLZONDG-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000064796143 399232764 /nfs/dbraw/zinc/23/27/64/399232764.db2.gz XGQUJVLAFLTWJL-GHMZBOCLSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000064796143 399232766 /nfs/dbraw/zinc/23/27/66/399232766.db2.gz XGQUJVLAFLTWJL-GHMZBOCLSA-N 1 2 317.216 2.825 20 30 DFEDLO Cn1cc(C[N@H+](C)CC#Cc2ccccc2)c(C(F)(F)F)n1 ZINC000192123429 335026488 /nfs/dbraw/zinc/02/64/88/335026488.db2.gz AZMUROLMGXPBFO-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccccc2)c(C(F)(F)F)n1 ZINC000192123429 335026490 /nfs/dbraw/zinc/02/64/90/335026490.db2.gz AZMUROLMGXPBFO-UHFFFAOYSA-N 1 2 307.319 2.922 20 30 DFEDLO COC(=O)[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000267708216 206232346 /nfs/dbraw/zinc/23/23/46/206232346.db2.gz RMVQRHJPZZMAKU-RTBURBONSA-N 1 2 320.392 2.919 20 30 DFEDLO COC(=O)[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000267708214 206233682 /nfs/dbraw/zinc/23/36/82/206233682.db2.gz RMVQRHJPZZMAKU-RBUKOAKNSA-N 1 2 320.392 2.919 20 30 DFEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000618904981 399255660 /nfs/dbraw/zinc/25/56/60/399255660.db2.gz PNDDQZLURZXQES-QGZVFWFLSA-N 1 2 310.401 2.674 20 30 DFEDLO C[C@H](c1cc(-c2ccccc2)n(C)n1)[NH+]1CCN(CCC#N)CC1 ZINC000601316585 399276529 /nfs/dbraw/zinc/27/65/29/399276529.db2.gz MVDJTLZTCFLULM-MRXNPFEDSA-N 1 2 323.444 2.679 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000614962391 399285374 /nfs/dbraw/zinc/28/53/74/399285374.db2.gz AHFUYYQYBZVQKC-CZUORRHYSA-N 1 2 316.401 2.662 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000614962391 399285378 /nfs/dbraw/zinc/28/53/78/399285378.db2.gz AHFUYYQYBZVQKC-CZUORRHYSA-N 1 2 316.401 2.662 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609486754 399320138 /nfs/dbraw/zinc/32/01/38/399320138.db2.gz QESJCDZCHUQBOE-WMLDXEAASA-N 1 2 316.405 2.822 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615612 399326324 /nfs/dbraw/zinc/32/63/24/399326324.db2.gz HHPMFWYPMBNGOV-GXFFZTMASA-N 1 2 311.307 2.702 20 30 DFEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618980 399326428 /nfs/dbraw/zinc/32/64/28/399326428.db2.gz UBGGVOWVVDIHOB-LBPRGKRZSA-N 1 2 306.325 2.612 20 30 DFEDLO Cc1noc(C)c1[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000609613590 399326607 /nfs/dbraw/zinc/32/66/07/399326607.db2.gz KMQGIZOAPWZCRS-SECBINFHSA-N 1 2 311.349 2.518 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671989 399329455 /nfs/dbraw/zinc/32/94/55/399329455.db2.gz LAQHXNZXNATZME-UGSOOPFHSA-N 1 2 321.380 2.540 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671989 399329456 /nfs/dbraw/zinc/32/94/56/399329456.db2.gz LAQHXNZXNATZME-UGSOOPFHSA-N 1 2 321.380 2.540 20 30 DFEDLO CS[C@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000609765506 399330667 /nfs/dbraw/zinc/33/06/67/399330667.db2.gz XKWQQQNNGWTIRU-RYUDHWBXSA-N 1 2 316.434 2.826 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CSc2ccccc21 ZINC000609797728 399331801 /nfs/dbraw/zinc/33/18/01/399331801.db2.gz PDASXYVKIVTTTR-ZDUSSCGKSA-N 1 2 322.397 2.999 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C1CC1 ZINC000274123476 211375165 /nfs/dbraw/zinc/37/51/65/211375165.db2.gz HCKPPAIFAHBOJG-UHFFFAOYSA-N 1 2 308.381 2.910 20 30 DFEDLO C#CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C1CC1 ZINC000274123476 211375172 /nfs/dbraw/zinc/37/51/72/211375172.db2.gz HCKPPAIFAHBOJG-UHFFFAOYSA-N 1 2 308.381 2.910 20 30 DFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000610195098 399346024 /nfs/dbraw/zinc/34/60/24/399346024.db2.gz RFOLGIHKRBOZBG-HNNXBMFYSA-N 1 2 323.396 2.599 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000284657399 218118146 /nfs/dbraw/zinc/11/81/46/218118146.db2.gz DAMXPZGBLXFQBV-RYQLBKOJSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000284657399 218118148 /nfs/dbraw/zinc/11/81/48/218118148.db2.gz DAMXPZGBLXFQBV-RYQLBKOJSA-N 1 2 318.392 2.713 20 30 DFEDLO Cc1cccc([C@@H](CNc2cccnc2C#N)[NH+]2CCOCC2)c1 ZINC000273913744 211168385 /nfs/dbraw/zinc/16/83/85/211168385.db2.gz AULHREYFQPGLNS-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO CN(C)c1[nH+]cccc1CNc1cc(C#N)nc2ccccc21 ZINC000610275405 399352071 /nfs/dbraw/zinc/35/20/71/399352071.db2.gz GUJLZLRPKCSVLT-UHFFFAOYSA-N 1 2 303.369 2.601 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C#N)cn1 ZINC000619546107 399360110 /nfs/dbraw/zinc/36/01/10/399360110.db2.gz DTJPNKKNCWHXTJ-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1cccc(C#N)c1 ZINC000610347592 399358697 /nfs/dbraw/zinc/35/86/97/399358697.db2.gz RHSDWSCGFHCENE-CYBMUJFWSA-N 1 2 323.400 2.580 20 30 DFEDLO C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1cccc(C#N)c1 ZINC000610347593 399358902 /nfs/dbraw/zinc/35/89/02/399358902.db2.gz RHSDWSCGFHCENE-ZDUSSCGKSA-N 1 2 323.400 2.580 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)o2)c1 ZINC000610367716 399361783 /nfs/dbraw/zinc/36/17/83/399361783.db2.gz CCNVUNPTIACYPC-CVEARBPZSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)o2)c1 ZINC000610367716 399361786 /nfs/dbraw/zinc/36/17/86/399361786.db2.gz CCNVUNPTIACYPC-CVEARBPZSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc(Oc2ccc(NC(=O)Cn3cc[nH+]c3)cn2)cc1 ZINC000610422497 399366501 /nfs/dbraw/zinc/36/65/01/399366501.db2.gz LFDVXOVIPKKQKZ-UHFFFAOYSA-N 1 2 319.324 2.581 20 30 DFEDLO CCSCC[C@H](C)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000610431579 399367028 /nfs/dbraw/zinc/36/70/28/399367028.db2.gz OVMOXPHAKVPZBO-LBPRGKRZSA-N 1 2 318.450 2.708 20 30 DFEDLO C[C@H]1c2ccccc2CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000610489325 399372563 /nfs/dbraw/zinc/37/25/63/399372563.db2.gz GCTKGZLGIDDTIA-ZDUSSCGKSA-N 1 2 318.384 2.864 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505481 399375165 /nfs/dbraw/zinc/37/51/65/399375165.db2.gz MEZDPAGABYHZJX-WBVHZDCISA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505481 399375166 /nfs/dbraw/zinc/37/51/66/399375166.db2.gz MEZDPAGABYHZJX-WBVHZDCISA-N 1 2 303.381 2.627 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610505430 399375543 /nfs/dbraw/zinc/37/55/43/399375543.db2.gz LIXUJJYPGNXGBC-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610505430 399375546 /nfs/dbraw/zinc/37/55/46/399375546.db2.gz LIXUJJYPGNXGBC-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO Cc1cccn2cc(CN(CCC#N)Cc3ccccn3)[nH+]c12 ZINC000610538448 399378423 /nfs/dbraw/zinc/37/84/23/399378423.db2.gz SVWQSAOYAXAUSZ-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO C=C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)C(=O)OC ZINC000619704251 399380852 /nfs/dbraw/zinc/38/08/52/399380852.db2.gz ZESVELSQVHHZFT-CQSZACIVSA-N 1 2 306.793 2.691 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404580 399381082 /nfs/dbraw/zinc/38/10/82/399381082.db2.gz BOECZXLGYKYOCP-HNNXBMFYSA-N 1 2 314.433 2.789 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000602005839 399381742 /nfs/dbraw/zinc/38/17/42/399381742.db2.gz HNGIAUABMGBFIP-UHFFFAOYSA-N 1 2 323.371 2.766 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000619719008 399382088 /nfs/dbraw/zinc/38/20/88/399382088.db2.gz MVKWNOUKWHEDTI-TZMCWYRMSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000619719008 399382089 /nfs/dbraw/zinc/38/20/89/399382089.db2.gz MVKWNOUKWHEDTI-TZMCWYRMSA-N 1 2 320.458 2.929 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610584870 399384050 /nfs/dbraw/zinc/38/40/50/399384050.db2.gz XZZBZHAGVLBURX-CQSZACIVSA-N 1 2 313.336 2.763 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287042834 335043666 /nfs/dbraw/zinc/04/36/66/335043666.db2.gz TURPGDYZQMMHEE-DGCLKSJQSA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287042834 335043667 /nfs/dbraw/zinc/04/36/67/335043667.db2.gz TURPGDYZQMMHEE-DGCLKSJQSA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287042837 335043733 /nfs/dbraw/zinc/04/37/33/335043733.db2.gz TURPGDYZQMMHEE-WCQYABFASA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287042837 335043734 /nfs/dbraw/zinc/04/37/34/335043734.db2.gz TURPGDYZQMMHEE-WCQYABFASA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602087014 399392844 /nfs/dbraw/zinc/39/28/44/399392844.db2.gz VWYZGWCJNJOURY-HZPDHXFCSA-N 1 2 306.369 2.600 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602087014 399392846 /nfs/dbraw/zinc/39/28/46/399392846.db2.gz VWYZGWCJNJOURY-HZPDHXFCSA-N 1 2 306.369 2.600 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000052034672 183848053 /nfs/dbraw/zinc/84/80/53/183848053.db2.gz QHGDIYNMPGFDLM-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000610682102 399393087 /nfs/dbraw/zinc/39/30/87/399393087.db2.gz KBQJGGNRIKCQQA-JTQLQIEISA-N 1 2 323.299 2.550 20 30 DFEDLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)sc1SCC#N ZINC000602089505 399393800 /nfs/dbraw/zinc/39/38/00/399393800.db2.gz UETKNWBDKLBCPL-RKDXNWHRSA-N 1 2 319.415 2.533 20 30 DFEDLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)sc1SCC#N ZINC000602089505 399393802 /nfs/dbraw/zinc/39/38/02/399393802.db2.gz UETKNWBDKLBCPL-RKDXNWHRSA-N 1 2 319.415 2.533 20 30 DFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602104212 399395385 /nfs/dbraw/zinc/39/53/85/399395385.db2.gz ZGOSEQLQIJWXLZ-SCLBCKFNSA-N 1 2 324.384 2.780 20 30 DFEDLO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCC1 ZINC000602116096 399397269 /nfs/dbraw/zinc/39/72/69/399397269.db2.gz MMUQYTQQWWCYDV-INIZCTEOSA-N 1 2 324.384 2.780 20 30 DFEDLO C[C@@H](C#N)CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000602125331 399398513 /nfs/dbraw/zinc/39/85/13/399398513.db2.gz IOLPFWPVSYBGBM-JQWIXIFHSA-N 1 2 314.311 2.527 20 30 DFEDLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602197687 399408942 /nfs/dbraw/zinc/40/89/42/399408942.db2.gz WULQIIUQKFSRTF-WOPDTQHZSA-N 1 2 314.311 2.527 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2ccccc2n1CC#N ZINC000610861988 399413822 /nfs/dbraw/zinc/41/38/22/399413822.db2.gz VNEJNLGHVIZQSQ-UHFFFAOYSA-N 1 2 321.384 2.524 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000602327540 399424713 /nfs/dbraw/zinc/42/47/13/399424713.db2.gz QPUUBFULOGEXGZ-OAHLLOKOSA-N 1 2 309.373 2.500 20 30 DFEDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccnc(C#N)c1 ZINC000610991230 399425091 /nfs/dbraw/zinc/42/50/91/399425091.db2.gz FVIFZYBPJKFGJH-UHFFFAOYSA-N 1 2 306.163 2.941 20 30 DFEDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccnc(C#N)c1 ZINC000610991230 399425092 /nfs/dbraw/zinc/42/50/92/399425092.db2.gz FVIFZYBPJKFGJH-UHFFFAOYSA-N 1 2 306.163 2.941 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(C(F)F)cc1 ZINC000602331137 399425959 /nfs/dbraw/zinc/42/59/59/399425959.db2.gz ACWUSVOHLOFAQP-INIZCTEOSA-N 1 2 309.360 2.517 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 ZINC000611037836 399430030 /nfs/dbraw/zinc/43/00/30/399430030.db2.gz QPFBUZIMJBKQLJ-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 ZINC000611037836 399430032 /nfs/dbraw/zinc/43/00/32/399430032.db2.gz QPFBUZIMJBKQLJ-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000058578000 184123790 /nfs/dbraw/zinc/12/37/90/184123790.db2.gz GTLRTYWBRRJPAC-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000058578000 184123792 /nfs/dbraw/zinc/12/37/92/184123792.db2.gz GTLRTYWBRRJPAC-UHFFFAOYSA-N 1 2 315.314 2.767 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179829 399443039 /nfs/dbraw/zinc/44/30/39/399443039.db2.gz KZNXDHKSCPJESE-GXSJLCMTSA-N 1 2 311.332 2.682 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179829 399443042 /nfs/dbraw/zinc/44/30/42/399443042.db2.gz KZNXDHKSCPJESE-GXSJLCMTSA-N 1 2 311.332 2.682 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180457 399443089 /nfs/dbraw/zinc/44/30/89/399443089.db2.gz XWJUPRUAUUGMQX-LLVKDONJSA-N 1 2 305.328 2.616 20 30 DFEDLO Cc1ccc(-c2nc(C[NH+]3CCN(CCC#N)CC3)co2)cc1 ZINC000611173943 399441657 /nfs/dbraw/zinc/44/16/57/399441657.db2.gz SLDZWCVIIYFGFO-UHFFFAOYSA-N 1 2 310.401 2.681 20 30 DFEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)sn1 ZINC000602432592 399442168 /nfs/dbraw/zinc/44/21/68/399442168.db2.gz HTJFSDBQONCHOD-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)sn1 ZINC000602432592 399442170 /nfs/dbraw/zinc/44/21/70/399442170.db2.gz HTJFSDBQONCHOD-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cscc3Cl)CC2)c1 ZINC000611253655 399451599 /nfs/dbraw/zinc/45/15/99/399451599.db2.gz RISIHKIZRPZWAW-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)s1)C1CCCCC1 ZINC000611254469 399451673 /nfs/dbraw/zinc/45/16/73/399451673.db2.gz CJVZEFIEWAKYNQ-UHFFFAOYSA-N 1 2 305.447 2.843 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)s1)C1CCCCC1 ZINC000611254469 399451674 /nfs/dbraw/zinc/45/16/74/399451674.db2.gz CJVZEFIEWAKYNQ-UHFFFAOYSA-N 1 2 305.447 2.843 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602477381 399455904 /nfs/dbraw/zinc/45/59/04/399455904.db2.gz VFPJAOVLAIXINO-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602477381 399455906 /nfs/dbraw/zinc/45/59/06/399455906.db2.gz VFPJAOVLAIXINO-GOSISDBHSA-N 1 2 323.396 2.559 20 30 DFEDLO CC(C)(C)c1nnc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000611275426 399456684 /nfs/dbraw/zinc/45/66/84/399456684.db2.gz GJYAFCQWURIHIO-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1nnc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000611275426 399456687 /nfs/dbraw/zinc/45/66/87/399456687.db2.gz GJYAFCQWURIHIO-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1n[nH]c([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000611275426 399456689 /nfs/dbraw/zinc/45/66/89/399456689.db2.gz GJYAFCQWURIHIO-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1n[nH]c([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000611275426 399456692 /nfs/dbraw/zinc/45/66/92/399456692.db2.gz GJYAFCQWURIHIO-CYBMUJFWSA-N 1 2 319.453 2.805 20 30 DFEDLO Cc1ccc2c(c1)CCN(c1[nH+]cnc3c1cnn3CCC#N)C2 ZINC000616383558 399458682 /nfs/dbraw/zinc/45/86/82/399458682.db2.gz NVFLKVXMLFRVEC-UHFFFAOYSA-N 1 2 318.384 2.611 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000602484826 399458897 /nfs/dbraw/zinc/45/88/97/399458897.db2.gz IVVKLNAPPLEHGO-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000602484826 399458901 /nfs/dbraw/zinc/45/89/01/399458901.db2.gz IVVKLNAPPLEHGO-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO CCC1(O)CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611347802 399464653 /nfs/dbraw/zinc/46/46/53/399464653.db2.gz HBDMPMLZYUCYAO-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000611410535 399472799 /nfs/dbraw/zinc/47/27/99/399472799.db2.gz HLZLKPGASVTBKI-UHFFFAOYSA-N 1 2 324.453 2.826 20 30 DFEDLO CC[C@@H]1CN(CC2(C#N)CC2)[C@@H](CC)C[N@@H+]1CC1(C#N)CC1 ZINC000611430758 399475678 /nfs/dbraw/zinc/47/56/78/399475678.db2.gz LWHLUHCTAKFRLT-IYBDPMFKSA-N 1 2 300.450 2.769 20 30 DFEDLO CC[C@@H]1CN(CC2(C#N)CC2)[C@@H](CC)C[N@H+]1CC1(C#N)CC1 ZINC000611430758 399475681 /nfs/dbraw/zinc/47/56/81/399475681.db2.gz LWHLUHCTAKFRLT-IYBDPMFKSA-N 1 2 300.450 2.769 20 30 DFEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@H](CC)CN1CC1(C#N)CC1 ZINC000611430758 399475682 /nfs/dbraw/zinc/47/56/82/399475682.db2.gz LWHLUHCTAKFRLT-IYBDPMFKSA-N 1 2 300.450 2.769 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](CC)CN1CC1(C#N)CC1 ZINC000611430758 399475685 /nfs/dbraw/zinc/47/56/85/399475685.db2.gz LWHLUHCTAKFRLT-IYBDPMFKSA-N 1 2 300.450 2.769 20 30 DFEDLO Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(C(=O)OC(C)(C)C)n1 ZINC000602609241 399489672 /nfs/dbraw/zinc/48/96/72/399489672.db2.gz XOVXIQWFFSQVAE-UHFFFAOYSA-N 1 2 318.421 2.501 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602607936 399489718 /nfs/dbraw/zinc/48/97/18/399489718.db2.gz NKURILZEZUHGAL-HOCLYGCPSA-N 1 2 307.401 2.927 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602610546 399490337 /nfs/dbraw/zinc/49/03/37/399490337.db2.gz AYBVHESLGVIYNQ-UHFFFAOYSA-N 1 2 300.328 2.878 20 30 DFEDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)cc1F ZINC000611589599 399497739 /nfs/dbraw/zinc/49/77/39/399497739.db2.gz QDYLBNUZYKULNZ-LBPRGKRZSA-N 1 2 314.364 2.694 20 30 DFEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000616755192 399511613 /nfs/dbraw/zinc/51/16/13/399511613.db2.gz PHFNJMAAXWDWMP-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000616755192 399511617 /nfs/dbraw/zinc/51/16/17/399511617.db2.gz PHFNJMAAXWDWMP-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119785009 195037285 /nfs/dbraw/zinc/03/72/85/195037285.db2.gz KTMLTQWDBRIKBO-UHFFFAOYSA-N 1 2 324.384 2.942 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]2CCCC[C@H]21 ZINC000611764232 399522123 /nfs/dbraw/zinc/52/21/23/399522123.db2.gz JVNQRZKCSTXCJH-VNHYZAJKSA-N 1 2 310.405 2.755 20 30 DFEDLO COc1cc(C)[nH+]c(CSc2nc(C)nc(C)c2C#N)c1 ZINC000270105999 208164366 /nfs/dbraw/zinc/16/43/66/208164366.db2.gz GKSVXHLLMDUGMS-UHFFFAOYSA-N 1 2 300.387 2.969 20 30 DFEDLO Cc1cn2c(n1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000611802253 399528343 /nfs/dbraw/zinc/52/83/43/399528343.db2.gz VYEMYFVGINRDTH-UHFFFAOYSA-N 1 2 318.327 2.680 20 30 DFEDLO Cc1cn2c(n1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000611802253 399528348 /nfs/dbraw/zinc/52/83/48/399528348.db2.gz VYEMYFVGINRDTH-UHFFFAOYSA-N 1 2 318.327 2.680 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOCC3(CC3)C2)c1C#N ZINC000611813203 399530658 /nfs/dbraw/zinc/53/06/58/399530658.db2.gz LBWRAFYVMZMSRM-UHFFFAOYSA-N 1 2 322.412 2.665 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOCC3(CC3)C2)c1C#N ZINC000611813203 399530660 /nfs/dbraw/zinc/53/06/60/399530660.db2.gz LBWRAFYVMZMSRM-UHFFFAOYSA-N 1 2 322.412 2.665 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCc2c(cccc2OC)C1)C(=O)OC ZINC000602732367 399545434 /nfs/dbraw/zinc/54/54/34/399545434.db2.gz AZNXISXPEJSFOL-GOEBONIOSA-N 1 2 303.402 2.650 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccc(OC)c(O)c1)C(=O)OC ZINC000602733525 399546919 /nfs/dbraw/zinc/54/69/19/399546919.db2.gz JAXPPSNOLIPCRR-HIFRSBDPSA-N 1 2 321.417 2.819 20 30 DFEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000602756845 399558611 /nfs/dbraw/zinc/55/86/11/399558611.db2.gz ANLJIRUWPOZVHM-UHFFFAOYSA-N 1 2 317.820 2.792 20 30 DFEDLO C=C(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000287928146 335050243 /nfs/dbraw/zinc/05/02/43/335050243.db2.gz DLTWWBQUVCPBPE-UHFFFAOYSA-N 1 2 310.401 2.943 20 30 DFEDLO C#CCOc1ccc(CNc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000158154465 197248200 /nfs/dbraw/zinc/24/82/00/197248200.db2.gz YBCUBZQMQGQKTG-UHFFFAOYSA-N 1 2 323.396 2.542 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cccc(F)c3C2)CCCCC1 ZINC000157857562 197220295 /nfs/dbraw/zinc/22/02/95/197220295.db2.gz BRGGGYOWXUYSKE-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCc3cccc(F)c3C2)CCCCC1 ZINC000157857562 197220297 /nfs/dbraw/zinc/22/02/97/197220297.db2.gz BRGGGYOWXUYSKE-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO CN(Cc1cccs1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157237963 197172790 /nfs/dbraw/zinc/17/27/90/197172790.db2.gz ZTISZFDKOZWQNR-UHFFFAOYSA-N 1 2 307.463 2.968 20 30 DFEDLO CN(Cc1cccs1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157237963 197172792 /nfs/dbraw/zinc/17/27/92/197172792.db2.gz ZTISZFDKOZWQNR-UHFFFAOYSA-N 1 2 307.463 2.968 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1F ZINC000156782785 197140370 /nfs/dbraw/zinc/14/03/70/197140370.db2.gz APAFBGQZOXQAKJ-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165380 399596876 /nfs/dbraw/zinc/59/68/76/399596876.db2.gz KUQDFMHTHZZYIM-IBGZPJMESA-N 1 2 313.445 2.833 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165380 399596883 /nfs/dbraw/zinc/59/68/83/399596883.db2.gz KUQDFMHTHZZYIM-IBGZPJMESA-N 1 2 313.445 2.833 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166823 399597009 /nfs/dbraw/zinc/59/70/09/399597009.db2.gz RWNDOTOFCNITIM-SJLPKXTDSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166823 399597011 /nfs/dbraw/zinc/59/70/11/399597011.db2.gz RWNDOTOFCNITIM-SJLPKXTDSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167810 399598339 /nfs/dbraw/zinc/59/83/39/399598339.db2.gz WVSUSUVGOBRKDQ-KSSFIOAISA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167810 399598342 /nfs/dbraw/zinc/59/83/42/399598342.db2.gz WVSUSUVGOBRKDQ-KSSFIOAISA-N 1 2 317.408 2.971 20 30 DFEDLO COc1cccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1Cl ZINC000602851468 399602312 /nfs/dbraw/zinc/60/23/12/399602312.db2.gz WMWWHVPOSARJLX-CHWSQXEVSA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@@H]1C[NH+](Cc2cc(-c3cccs3)on2)C[C@@H](C)N1CC#N ZINC000602856542 399604565 /nfs/dbraw/zinc/60/45/65/399604565.db2.gz KJCPYCYBUFLGFJ-CHWSQXEVSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000602859793 399606506 /nfs/dbraw/zinc/60/65/06/399606506.db2.gz APRQMWORLOTMNA-INIZCTEOSA-N 1 2 313.445 2.896 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000602860136 399606518 /nfs/dbraw/zinc/60/65/18/399606518.db2.gz BMSRPWAALVUASJ-MNOVXSKESA-N 1 2 311.788 2.718 20 30 DFEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860712 399606675 /nfs/dbraw/zinc/60/66/75/399606675.db2.gz DOUKQHYEVWPTEN-LSDHHAIUSA-N 1 2 301.434 2.954 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000602861355 399607505 /nfs/dbraw/zinc/60/75/05/399607505.db2.gz HFPCEEGFWACEBZ-ZJUUUORDSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000602862968 399607781 /nfs/dbraw/zinc/60/77/81/399607781.db2.gz LLONTTPIEQRXKH-HNNXBMFYSA-N 1 2 311.385 2.700 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000602865213 399607986 /nfs/dbraw/zinc/60/79/86/399607986.db2.gz UVQWGZGORIJLPF-APWZRJJASA-N 1 2 321.424 2.978 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000602868210 399608911 /nfs/dbraw/zinc/60/89/11/399608911.db2.gz HZYAXMONEVOIIS-UWVGGRQHSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000602866140 399609095 /nfs/dbraw/zinc/60/90/95/399609095.db2.gz YUSOLRILJLAHJN-MRVPVSSYSA-N 1 2 317.723 2.772 20 30 DFEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000055083004 542454101 /nfs/dbraw/zinc/45/41/01/542454101.db2.gz JLOFSADNJIFESK-ZDUSSCGKSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000055083004 542454104 /nfs/dbraw/zinc/45/41/04/542454104.db2.gz JLOFSADNJIFESK-ZDUSSCGKSA-N 1 2 303.406 2.751 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896833 399618146 /nfs/dbraw/zinc/61/81/46/399618146.db2.gz HRTXGFDSJIMTKB-OAHLLOKOSA-N 1 2 324.384 2.573 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896833 399618148 /nfs/dbraw/zinc/61/81/48/399618148.db2.gz HRTXGFDSJIMTKB-OAHLLOKOSA-N 1 2 324.384 2.573 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)(C)C ZINC000288743814 335055033 /nfs/dbraw/zinc/05/50/33/335055033.db2.gz XNDKHZGCBBTRRH-INIZCTEOSA-N 1 2 310.401 2.719 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3noc(C4CC4)n3)CC2)nc1 ZINC000602910477 399622759 /nfs/dbraw/zinc/62/27/59/399622759.db2.gz SPCPOCKMKFZRIB-UHFFFAOYSA-N 1 2 309.373 2.593 20 30 DFEDLO CSC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000602922248 399628150 /nfs/dbraw/zinc/62/81/50/399628150.db2.gz FCPOAOYFZMQLBB-CYBMUJFWSA-N 1 2 321.471 2.552 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000624323331 399638367 /nfs/dbraw/zinc/63/83/67/399638367.db2.gz KYQSSYBAVLKCAL-AWEZNQCLSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000624323331 399638364 /nfs/dbraw/zinc/63/83/64/399638364.db2.gz KYQSSYBAVLKCAL-AWEZNQCLSA-N 1 2 305.447 2.789 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069243 399671270 /nfs/dbraw/zinc/67/12/70/399671270.db2.gz CBCOIWJHPBPNGU-JTQLQIEISA-N 1 2 301.325 2.796 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc2c1OCCO2 ZINC000612404329 399643273 /nfs/dbraw/zinc/64/32/73/399643273.db2.gz DUARJKMDWUJKAM-QGZVFWFLSA-N 1 2 302.374 2.592 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc2c1OCCO2 ZINC000612404329 399643278 /nfs/dbraw/zinc/64/32/78/399643278.db2.gz DUARJKMDWUJKAM-QGZVFWFLSA-N 1 2 302.374 2.592 20 30 DFEDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@H]1C#N ZINC000602973884 399644291 /nfs/dbraw/zinc/64/42/91/399644291.db2.gz HCQPHNKRRYRPCB-NXOAAHMSSA-N 1 2 303.450 2.792 20 30 DFEDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[C@H]1C#N ZINC000602973884 399644295 /nfs/dbraw/zinc/64/42/95/399644295.db2.gz HCQPHNKRRYRPCB-NXOAAHMSSA-N 1 2 303.450 2.792 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)C2CC2)o1 ZINC000602978834 399646853 /nfs/dbraw/zinc/64/68/53/399646853.db2.gz XDMSQWRZQFGOOA-WMLDXEAASA-N 1 2 315.417 2.703 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)C2CC2)o1 ZINC000602978834 399646859 /nfs/dbraw/zinc/64/68/59/399646859.db2.gz XDMSQWRZQFGOOA-WMLDXEAASA-N 1 2 315.417 2.703 20 30 DFEDLO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602979332 399647466 /nfs/dbraw/zinc/64/74/66/399647466.db2.gz BXUPTGVACTVPAO-XJKSGUPXSA-N 1 2 324.421 2.614 20 30 DFEDLO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602979332 399647471 /nfs/dbraw/zinc/64/74/71/399647471.db2.gz BXUPTGVACTVPAO-XJKSGUPXSA-N 1 2 324.421 2.614 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021622 399723903 /nfs/dbraw/zinc/72/39/03/399723903.db2.gz JVPLMIAEURLAIL-AWEZNQCLSA-N 1 2 300.402 2.600 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021622 399723906 /nfs/dbraw/zinc/72/39/06/399723906.db2.gz JVPLMIAEURLAIL-AWEZNQCLSA-N 1 2 300.402 2.600 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCN1CC(F)F ZINC000121627643 195319762 /nfs/dbraw/zinc/31/97/62/195319762.db2.gz AHRLOPQZHGNBNP-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCN1CC(F)F ZINC000121627643 195319765 /nfs/dbraw/zinc/31/97/65/195319765.db2.gz AHRLOPQZHGNBNP-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO COCc1cc(C#N)ccc1N1CCN(c2c[nH+]ccc2C)CC1 ZINC000603368216 399755648 /nfs/dbraw/zinc/75/56/48/399755648.db2.gz RRKXXTYXEMMTFR-UHFFFAOYSA-N 1 2 322.412 2.735 20 30 DFEDLO CC(C)(C#N)c1ccccc1Cn1cc[nH+]c1CN1CCOCC1 ZINC000603420414 399771993 /nfs/dbraw/zinc/77/19/93/399771993.db2.gz JOZGWZRXEJVJOF-UHFFFAOYSA-N 1 2 324.428 2.565 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C)(CO)CC2)c1C#N ZINC000613022896 399779947 /nfs/dbraw/zinc/77/99/47/399779947.db2.gz OQNBEPSYWVSQIO-UHFFFAOYSA-N 1 2 324.428 2.647 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000613146170 399804363 /nfs/dbraw/zinc/80/43/63/399804363.db2.gz GFLKJRQVKBADQL-HRCADAONSA-N 1 2 323.400 2.501 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890580 399814825 /nfs/dbraw/zinc/81/48/25/399814825.db2.gz GNNOECBZAQOENX-ZDUSSCGKSA-N 1 2 303.406 2.561 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890580 399814834 /nfs/dbraw/zinc/81/48/34/399814834.db2.gz GNNOECBZAQOENX-ZDUSSCGKSA-N 1 2 303.406 2.561 20 30 DFEDLO CCOC(=O)[C@@]1(C(C)C)CCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000302835263 543048890 /nfs/dbraw/zinc/04/88/90/543048890.db2.gz UZDFYVCRZDEICD-SFHVURJKSA-N 1 2 315.417 2.986 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000329296613 543102451 /nfs/dbraw/zinc/10/24/51/543102451.db2.gz SWZOLHMARVVDEB-UBHSHLNASA-N 1 2 317.393 2.738 20 30 DFEDLO CC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)sc2C1 ZINC000329001322 543099311 /nfs/dbraw/zinc/09/93/11/543099311.db2.gz VYWWKSUIPUCVJU-GVXVVHGQSA-N 1 2 323.462 2.965 20 30 DFEDLO CC[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)sc2C1 ZINC000329001322 543099312 /nfs/dbraw/zinc/09/93/12/543099312.db2.gz VYWWKSUIPUCVJU-GVXVVHGQSA-N 1 2 323.462 2.965 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)CCC3)[N@H+](C)C1 ZINC000329032621 543099347 /nfs/dbraw/zinc/09/93/47/543099347.db2.gz QCWSKUUEXDYMFQ-ZFWWWQNUSA-N 1 2 302.374 2.513 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)CCC3)[N@@H+](C)C1 ZINC000329032621 543099349 /nfs/dbraw/zinc/09/93/49/543099349.db2.gz QCWSKUUEXDYMFQ-ZFWWWQNUSA-N 1 2 302.374 2.513 20 30 DFEDLO CN(C)C(=O)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000604435133 399846573 /nfs/dbraw/zinc/84/65/73/399846573.db2.gz OGYBBQMMAXURKJ-QGZVFWFLSA-N 1 2 311.360 2.616 20 30 DFEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000329216439 543101336 /nfs/dbraw/zinc/10/13/36/543101336.db2.gz OLYXZSBSORMLKC-ZDUSSCGKSA-N 1 2 320.418 2.895 20 30 DFEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000329216439 543101337 /nfs/dbraw/zinc/10/13/37/543101337.db2.gz OLYXZSBSORMLKC-ZDUSSCGKSA-N 1 2 320.418 2.895 20 30 DFEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000604484771 399849162 /nfs/dbraw/zinc/84/91/62/399849162.db2.gz ZDCIPENJWYYPJN-UHFFFAOYSA-N 1 2 318.336 2.966 20 30 DFEDLO C[C@H](c1ccncc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604526627 399852429 /nfs/dbraw/zinc/85/24/29/399852429.db2.gz IFKOVMLHYPCEAY-CYBMUJFWSA-N 1 2 323.400 2.702 20 30 DFEDLO N#Cc1ccc(CN(C(=O)CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000604528690 399853347 /nfs/dbraw/zinc/85/33/47/399853347.db2.gz IPNCQVYFCCHKLG-UHFFFAOYSA-N 1 2 308.385 2.726 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1ccc(Cl)o1 ZINC000604558354 399856328 /nfs/dbraw/zinc/85/63/28/399856328.db2.gz XIXJOAJOGBLBGP-UHFFFAOYSA-N 1 2 302.725 2.598 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](c2ccccc2)C1 ZINC000604559578 399856473 /nfs/dbraw/zinc/85/64/73/399856473.db2.gz ACBKUEZMUQVSOE-HNNXBMFYSA-N 1 2 318.384 2.734 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350361883 543204339 /nfs/dbraw/zinc/20/43/39/543204339.db2.gz UVVPZYHDWVUOTG-MCIONIFRSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350361883 543204341 /nfs/dbraw/zinc/20/43/41/543204341.db2.gz UVVPZYHDWVUOTG-MCIONIFRSA-N 1 2 307.394 2.649 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000052750795 425885524 /nfs/dbraw/zinc/88/55/24/425885524.db2.gz SZPGRZBBNGTEDT-UHFFFAOYSA-N 1 2 319.408 2.825 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(-c4nc[nH]n4)c3)n2c1 ZINC000168770685 145243532 /nfs/dbraw/zinc/24/35/32/145243532.db2.gz MWCWVOWOQQHRLK-UHFFFAOYSA-N 1 2 315.340 2.603 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000171381038 145264183 /nfs/dbraw/zinc/26/41/83/145264183.db2.gz JHVZJRJQEJNASG-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000171381038 145264185 /nfs/dbraw/zinc/26/41/85/145264185.db2.gz JHVZJRJQEJNASG-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354394265 147020116 /nfs/dbraw/zinc/02/01/16/147020116.db2.gz KPXFRLQNEHRGBV-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354394265 147020120 /nfs/dbraw/zinc/02/01/20/147020120.db2.gz KPXFRLQNEHRGBV-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)ccc1C(F)(F)F ZINC000355415240 147307025 /nfs/dbraw/zinc/30/70/25/147307025.db2.gz OXQDZPUWKGIZPN-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)ccc1C(F)(F)F ZINC000355415240 147307030 /nfs/dbraw/zinc/30/70/30/147307030.db2.gz OXQDZPUWKGIZPN-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361483328 149127915 /nfs/dbraw/zinc/12/79/15/149127915.db2.gz DGVGQDCYTHMOTO-NVXWUHKLSA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361483328 149127916 /nfs/dbraw/zinc/12/79/16/149127916.db2.gz DGVGQDCYTHMOTO-NVXWUHKLSA-N 1 2 320.820 2.982 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1F ZINC000361746454 149207828 /nfs/dbraw/zinc/20/78/28/149207828.db2.gz KZXJHXARBCTXMP-OAHLLOKOSA-N 1 2 306.287 2.799 20 30 DFEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000362062418 149287608 /nfs/dbraw/zinc/28/76/08/149287608.db2.gz LEFSGHXTXJEIJV-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000362062418 149287610 /nfs/dbraw/zinc/28/76/10/149287610.db2.gz LEFSGHXTXJEIJV-UHFFFAOYSA-N 1 2 323.400 2.531 20 30 DFEDLO Cc1nc(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cs1 ZINC000371327236 150024358 /nfs/dbraw/zinc/02/43/58/150024358.db2.gz UVCDTRQFJXPTLC-KRWDZBQOSA-N 1 2 313.426 2.939 20 30 DFEDLO Cc1nc(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cs1 ZINC000371327236 150024360 /nfs/dbraw/zinc/02/43/60/150024360.db2.gz UVCDTRQFJXPTLC-KRWDZBQOSA-N 1 2 313.426 2.939 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000371546022 150062514 /nfs/dbraw/zinc/06/25/14/150062514.db2.gz XUOVPMQABGZNTQ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000371640363 150075045 /nfs/dbraw/zinc/07/50/45/150075045.db2.gz OEMRSRCUMGEPPW-AWEZNQCLSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000371640363 150075046 /nfs/dbraw/zinc/07/50/46/150075046.db2.gz OEMRSRCUMGEPPW-AWEZNQCLSA-N 1 2 312.398 2.618 20 30 DFEDLO C[C@H]([NH2+]Cc1ncnn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371833507 150101386 /nfs/dbraw/zinc/10/13/86/150101386.db2.gz AQAQCXSLNWLRSE-NSHDSACASA-N 1 2 324.413 2.661 20 30 DFEDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000355153642 158286424 /nfs/dbraw/zinc/28/64/24/158286424.db2.gz VUHOIAHGVREMBQ-GOSISDBHSA-N 1 2 323.396 2.925 20 30 DFEDLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000355153642 158286426 /nfs/dbraw/zinc/28/64/26/158286426.db2.gz VUHOIAHGVREMBQ-GOSISDBHSA-N 1 2 323.396 2.925 20 30 DFEDLO Cc1cc(OC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)ccc1C#N ZINC000368490915 158647716 /nfs/dbraw/zinc/64/77/16/158647716.db2.gz QTXQWQZOTUYUCU-RHSMWYFYSA-N 1 2 321.380 2.940 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129132718 196021703 /nfs/dbraw/zinc/02/17/03/196021703.db2.gz KNXDLHWVJGXFJS-HNNXBMFYSA-N 1 2 322.474 2.936 20 30 DFEDLO C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134087149 196359977 /nfs/dbraw/zinc/35/99/77/196359977.db2.gz VONDXEQWHBLDRB-RISCZKNCSA-N 1 2 301.781 2.891 20 30 DFEDLO Cc1cc(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)[nH]1 ZINC000669695012 543984712 /nfs/dbraw/zinc/98/47/12/543984712.db2.gz DEINJTOGAMYHQA-UHFFFAOYSA-N 1 2 322.412 2.767 20 30 DFEDLO C=CC[C@H](C)[C@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291156786 335078836 /nfs/dbraw/zinc/07/88/36/335078836.db2.gz HXJRRFOTUNXZKE-GJZGRUSLSA-N 1 2 301.434 2.631 20 30 DFEDLO C=CC[C@H](C)[C@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291156786 335078837 /nfs/dbraw/zinc/07/88/37/335078837.db2.gz HXJRRFOTUNXZKE-GJZGRUSLSA-N 1 2 301.434 2.631 20 30 DFEDLO C=CCCOCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000674800043 544261695 /nfs/dbraw/zinc/26/16/95/544261695.db2.gz JTKDCWFVAIJFFR-UHFFFAOYSA-N 1 2 303.337 2.675 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000677479923 544495835 /nfs/dbraw/zinc/49/58/35/544495835.db2.gz RFKNARPPUPLPKF-OAHLLOKOSA-N 1 2 318.848 2.829 20 30 DFEDLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000057880594 425897404 /nfs/dbraw/zinc/89/74/04/425897404.db2.gz OGBRGCNGKZQDKE-CYBMUJFWSA-N 1 2 301.390 2.648 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000065766993 425903289 /nfs/dbraw/zinc/90/32/89/425903289.db2.gz WLECXOWMXSDVRJ-UHFFFAOYSA-N 1 2 321.355 2.678 20 30 DFEDLO CC[N@@H+](CC(=O)NCCSc1ccc(C)cc1)C[C@H](C)C#N ZINC000066424360 425904183 /nfs/dbraw/zinc/90/41/83/425904183.db2.gz JQGYQXZWWLAWGD-OAHLLOKOSA-N 1 2 319.474 2.685 20 30 DFEDLO CC[N@H+](CC(=O)NCCSc1ccc(C)cc1)C[C@H](C)C#N ZINC000066424360 425904184 /nfs/dbraw/zinc/90/41/84/425904184.db2.gz JQGYQXZWWLAWGD-OAHLLOKOSA-N 1 2 319.474 2.685 20 30 DFEDLO Cc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(C#N)c[nH+]1 ZINC000425224561 269914127 /nfs/dbraw/zinc/91/41/27/269914127.db2.gz DTTQEMWKHHGLAM-KRWDZBQOSA-N 1 2 315.417 2.816 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)s1 ZINC000337581445 269958543 /nfs/dbraw/zinc/95/85/43/269958543.db2.gz IXUWTKVBFTUNBW-CQSZACIVSA-N 1 2 315.373 2.546 20 30 DFEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cccnc2)c(Cl)c1 ZINC000439415985 269961860 /nfs/dbraw/zinc/96/18/60/269961860.db2.gz AETYAKGKDRKBNG-UHFFFAOYSA-N 1 2 301.777 2.601 20 30 DFEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cccnc2)c(Cl)c1 ZINC000439415985 269961861 /nfs/dbraw/zinc/96/18/61/269961861.db2.gz AETYAKGKDRKBNG-UHFFFAOYSA-N 1 2 301.777 2.601 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000155276215 269997793 /nfs/dbraw/zinc/99/77/93/269997793.db2.gz WTCQYMZUCRLERF-GOSISDBHSA-N 1 2 306.369 2.534 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000348402772 269998893 /nfs/dbraw/zinc/99/88/93/269998893.db2.gz IDVMNZBLVCZYPS-SNVBAGLBSA-N 1 2 318.764 2.797 20 30 DFEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc2ncccn2n1 ZINC000414272853 270000039 /nfs/dbraw/zinc/00/00/39/270000039.db2.gz ODZWPMJKDPWJPR-MRXNPFEDSA-N 1 2 318.384 2.553 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)n1 ZINC000426159727 270001007 /nfs/dbraw/zinc/00/10/07/270001007.db2.gz IMMOGZWMSRVXTH-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000453235698 270001726 /nfs/dbraw/zinc/00/17/26/270001726.db2.gz MQSFXSAQXXJLCD-FUHWJXTLSA-N 1 2 320.396 2.537 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533025708 270002621 /nfs/dbraw/zinc/00/26/21/270002621.db2.gz AKGNCEAQQKOFEG-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533025708 270002622 /nfs/dbraw/zinc/00/26/22/270002622.db2.gz AKGNCEAQQKOFEG-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CN1C(C)=O ZINC000340902217 266379750 /nfs/dbraw/zinc/37/97/50/266379750.db2.gz KREOLQKRKBQQMQ-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CN1C(C)=O ZINC000340902217 266379753 /nfs/dbraw/zinc/37/97/53/266379753.db2.gz KREOLQKRKBQQMQ-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000342128902 267002773 /nfs/dbraw/zinc/00/27/73/267002773.db2.gz ZQRYNDPJDGJGLQ-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000342128902 267002775 /nfs/dbraw/zinc/00/27/75/267002775.db2.gz ZQRYNDPJDGJGLQ-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171700856 267230173 /nfs/dbraw/zinc/23/01/73/267230173.db2.gz VGBGMUUUACABLC-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171700856 267230176 /nfs/dbraw/zinc/23/01/76/267230176.db2.gz VGBGMUUUACABLC-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000472324914 267232037 /nfs/dbraw/zinc/23/20/37/267232037.db2.gz IXDKNIBEYPAAEO-ROUUACIJSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000472324914 267232042 /nfs/dbraw/zinc/23/20/42/267232042.db2.gz IXDKNIBEYPAAEO-ROUUACIJSA-N 1 2 317.408 2.919 20 30 DFEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)ccn3)c[nH+]2)C[C@H](C)O1 ZINC000341527355 267239708 /nfs/dbraw/zinc/23/97/08/267239708.db2.gz DUHIOMGWEJGFRY-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000492832535 267255093 /nfs/dbraw/zinc/25/50/93/267255093.db2.gz RSGQHDAKVGQCQH-VOTSOKGWSA-N 1 2 306.369 2.593 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000456365715 267256814 /nfs/dbraw/zinc/25/68/14/267256814.db2.gz WDHROQOJBXFNDN-CYBMUJFWSA-N 1 2 308.385 2.684 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352461318 267287324 /nfs/dbraw/zinc/28/73/24/267287324.db2.gz LLRRZKKXQSLFAI-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008161565 425663078 /nfs/dbraw/zinc/66/30/78/425663078.db2.gz WKZGVRBBSJJQEF-AWEZNQCLSA-N 1 2 311.838 2.642 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)s1 ZINC000008161565 425663082 /nfs/dbraw/zinc/66/30/82/425663082.db2.gz WKZGVRBBSJJQEF-AWEZNQCLSA-N 1 2 311.838 2.642 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000008161461 425663356 /nfs/dbraw/zinc/66/33/56/425663356.db2.gz PDCICRVLLFOCEC-AWEZNQCLSA-N 1 2 313.854 2.888 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008161461 425663359 /nfs/dbraw/zinc/66/33/59/425663359.db2.gz PDCICRVLLFOCEC-AWEZNQCLSA-N 1 2 313.854 2.888 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc(C#N)c1 ZINC000026323688 425810142 /nfs/dbraw/zinc/81/01/42/425810142.db2.gz CWGGPOJMNQYGCD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc(C#N)c1 ZINC000026323688 425810144 /nfs/dbraw/zinc/81/01/44/425810144.db2.gz CWGGPOJMNQYGCD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1sccc1C(=O)OCC ZINC000045914470 425863255 /nfs/dbraw/zinc/86/32/55/425863255.db2.gz MUZPNBWJGCCPOO-UHFFFAOYSA-N 1 2 308.403 2.537 20 30 DFEDLO Cc1cc(CNc2ccc[nH+]c2N2CCOCC2)ccc1C#N ZINC000443995365 268001023 /nfs/dbraw/zinc/00/10/23/268001023.db2.gz HIKCGDWMIAKXMT-UHFFFAOYSA-N 1 2 308.385 2.710 20 30 DFEDLO Cn1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1C#N ZINC000191492629 268001878 /nfs/dbraw/zinc/00/18/78/268001878.db2.gz STEBBEPJWCAJAC-LJQANCHMSA-N 1 2 309.413 2.730 20 30 DFEDLO Cn1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1C#N ZINC000191492629 268001880 /nfs/dbraw/zinc/00/18/80/268001880.db2.gz STEBBEPJWCAJAC-LJQANCHMSA-N 1 2 309.413 2.730 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C#N)cs1 ZINC000192248255 268026684 /nfs/dbraw/zinc/02/66/84/268026684.db2.gz WZZNMXKISAJUDV-UHFFFAOYSA-N 1 2 316.430 2.931 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)/C=C\c3ccc(C#N)cc3)cn21 ZINC000491753888 268059656 /nfs/dbraw/zinc/05/96/56/268059656.db2.gz WZANEZCNKALMKJ-KTKRTIGZSA-N 1 2 316.364 2.844 20 30 DFEDLO Cc1cn2cc(NC(=O)NCCc3cccc(C#N)c3)ccc2[nH+]1 ZINC000439525559 268070299 /nfs/dbraw/zinc/07/02/99/268070299.db2.gz PRQWGAXEDUWXTO-UHFFFAOYSA-N 1 2 319.368 2.879 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)oc1C ZINC000487897004 268077132 /nfs/dbraw/zinc/07/71/32/268077132.db2.gz LTERLBANARYJGP-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C#N)c(C)n2)c1C ZINC000195005695 268124198 /nfs/dbraw/zinc/12/41/98/268124198.db2.gz SMXJCSCLEKDHDP-UHFFFAOYSA-N 1 2 324.384 2.554 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426254180 268181007 /nfs/dbraw/zinc/18/10/07/268181007.db2.gz GDZNGTVECLHCKO-UHFFFAOYSA-N 1 2 300.736 2.804 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)nc1 ZINC000528761661 268220595 /nfs/dbraw/zinc/22/05/95/268220595.db2.gz LHXIQPLLUSUPKA-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncn(-c3ccccc3)n1)CC2 ZINC000340536463 268223059 /nfs/dbraw/zinc/22/30/59/268223059.db2.gz PBRQLPTXESSZCN-GOSISDBHSA-N 1 2 315.380 2.916 20 30 DFEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459729761 268236037 /nfs/dbraw/zinc/23/60/37/268236037.db2.gz HAXPWRRAXZDRMN-SFHVURJKSA-N 1 2 321.355 2.818 20 30 DFEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3Cc4cccc(F)c4C3)C2=O)cc1 ZINC000459729761 268236040 /nfs/dbraw/zinc/23/60/40/268236040.db2.gz HAXPWRRAXZDRMN-SFHVURJKSA-N 1 2 321.355 2.818 20 30 DFEDLO N#Cc1cccc(C2(C(=O)NCc3cn4ccccc4[nH+]3)CC2)c1 ZINC000351722300 268239453 /nfs/dbraw/zinc/23/94/53/268239453.db2.gz SIUFQKCMUBZTCM-UHFFFAOYSA-N 1 2 316.364 2.554 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nncn3-c3ccccc3)CC2)c1 ZINC000341954595 268241473 /nfs/dbraw/zinc/24/14/73/268241473.db2.gz QTPWWBXFGUWMCE-UHFFFAOYSA-N 1 2 315.380 2.918 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000339072960 268241532 /nfs/dbraw/zinc/24/15/32/268241532.db2.gz HIHQIEIWVYBOMD-UHFFFAOYSA-N 1 2 309.325 2.951 20 30 DFEDLO N#Cc1ccsc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343347244 268304409 /nfs/dbraw/zinc/30/44/09/268304409.db2.gz VERRDUXWQSXVNC-UHFFFAOYSA-N 1 2 309.354 2.512 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157887529 425938835 /nfs/dbraw/zinc/93/88/35/425938835.db2.gz FIUIWJKMOKCACG-CQSZACIVSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157887529 425938838 /nfs/dbraw/zinc/93/88/38/425938838.db2.gz FIUIWJKMOKCACG-CQSZACIVSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157745012 425939023 /nfs/dbraw/zinc/93/90/23/425939023.db2.gz TYKBHBCXDZEWFQ-CQSZACIVSA-N 1 2 323.234 2.874 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000071228591 425983175 /nfs/dbraw/zinc/98/31/75/425983175.db2.gz YAUBZYMITMYJJU-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000071228591 425983176 /nfs/dbraw/zinc/98/31/76/425983176.db2.gz YAUBZYMITMYJJU-UHFFFAOYSA-N 1 2 315.186 2.950 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000125943716 425997043 /nfs/dbraw/zinc/99/70/43/425997043.db2.gz JNHJYCMELPBLMU-CQSZACIVSA-N 1 2 313.401 2.744 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000157673330 425939794 /nfs/dbraw/zinc/93/97/94/425939794.db2.gz NVTJCCRZLSRKIT-ZBFHGGJFSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000157673330 425939799 /nfs/dbraw/zinc/93/97/99/425939799.db2.gz NVTJCCRZLSRKIT-ZBFHGGJFSA-N 1 2 301.434 2.524 20 30 DFEDLO C=C(Br)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000125068892 425951786 /nfs/dbraw/zinc/95/17/86/425951786.db2.gz DGNRFDFWNMTUKJ-LLVKDONJSA-N 1 2 307.195 2.827 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106886317 425978510 /nfs/dbraw/zinc/97/85/10/425978510.db2.gz RQZUFEULNGDBSJ-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000106886317 425978513 /nfs/dbraw/zinc/97/85/13/425978513.db2.gz RQZUFEULNGDBSJ-CYBMUJFWSA-N 1 2 306.431 2.624 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000126629664 426028915 /nfs/dbraw/zinc/02/89/15/426028915.db2.gz MUDGBTHMOQGBED-KGLIPLIRSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000126629664 426028917 /nfs/dbraw/zinc/02/89/17/426028917.db2.gz MUDGBTHMOQGBED-KGLIPLIRSA-N 1 2 311.447 2.505 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1F ZINC000126718568 426033220 /nfs/dbraw/zinc/03/32/20/426033220.db2.gz FIWROTUHJRGSOH-GOSISDBHSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1F ZINC000126718568 426033221 /nfs/dbraw/zinc/03/32/21/426033221.db2.gz FIWROTUHJRGSOH-GOSISDBHSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000161908201 426045533 /nfs/dbraw/zinc/04/55/33/426045533.db2.gz AMFOXDDDSGKEHA-ZDUSSCGKSA-N 1 2 323.356 2.800 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000074990111 426060053 /nfs/dbraw/zinc/06/00/53/426060053.db2.gz RLYKLQYHXJRPIR-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000074990111 426060055 /nfs/dbraw/zinc/06/00/55/426060055.db2.gz RLYKLQYHXJRPIR-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000128000839 426096319 /nfs/dbraw/zinc/09/63/19/426096319.db2.gz KWUBFQTUNWIFHL-RHSMWYFYSA-N 1 2 308.385 2.979 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000130910703 426163294 /nfs/dbraw/zinc/16/32/94/426163294.db2.gz NNAOWLCBRGBVJD-UHFFFAOYSA-N 1 2 303.381 2.523 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000171702554 426205670 /nfs/dbraw/zinc/20/56/70/426205670.db2.gz PSVPJTIEEWCJKX-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000171702554 426205672 /nfs/dbraw/zinc/20/56/72/426205672.db2.gz PSVPJTIEEWCJKX-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595815 426168540 /nfs/dbraw/zinc/16/85/40/426168540.db2.gz KJALLMIOHOMWGN-SCLBCKFNSA-N 1 2 323.396 2.753 20 30 DFEDLO Cn1c2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]c1C1CC1 ZINC000132339063 426168889 /nfs/dbraw/zinc/16/88/89/426168889.db2.gz DYBLYDLZADLOIC-UHFFFAOYSA-N 1 2 324.384 2.710 20 30 DFEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc(C)cs1 ZINC000115599615 426169742 /nfs/dbraw/zinc/16/97/42/426169742.db2.gz RFBSDAFKZURPPE-KBPBESRZSA-N 1 2 314.414 2.591 20 30 DFEDLO C=CCCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000078479654 426171419 /nfs/dbraw/zinc/17/14/19/426171419.db2.gz ODZXBALGEHJITP-QGZVFWFLSA-N 1 2 316.445 2.702 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132928397 426171513 /nfs/dbraw/zinc/17/15/13/426171513.db2.gz STXWRHDMEPNMAO-MLGOLLRUSA-N 1 2 305.447 2.549 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132928397 426171516 /nfs/dbraw/zinc/17/15/16/426171516.db2.gz STXWRHDMEPNMAO-MLGOLLRUSA-N 1 2 305.447 2.549 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)NCCCn1cc[nH+]c1 ZINC000079565779 426196872 /nfs/dbraw/zinc/19/68/72/426196872.db2.gz DGUSOLRIESHCHJ-UHFFFAOYSA-N 1 2 316.380 2.810 20 30 DFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000116803018 426197358 /nfs/dbraw/zinc/19/73/58/426197358.db2.gz HFCWCCMZYWTSKV-SUMWQHHRSA-N 1 2 317.458 2.695 20 30 DFEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000116803018 426197360 /nfs/dbraw/zinc/19/73/60/426197360.db2.gz HFCWCCMZYWTSKV-SUMWQHHRSA-N 1 2 317.458 2.695 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000134923554 426198943 /nfs/dbraw/zinc/19/89/43/426198943.db2.gz HHLAPLMGDBWCKF-PKOBYXMFSA-N 1 2 316.445 2.778 20 30 DFEDLO N#Cc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117597797 426218008 /nfs/dbraw/zinc/21/80/08/426218008.db2.gz OJEIADIFTZOQEX-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000081517787 426222925 /nfs/dbraw/zinc/22/29/25/426222925.db2.gz JNBVCNZRLRKEBQ-UHFFFAOYSA-N 1 2 322.368 2.896 20 30 DFEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000081517787 426222927 /nfs/dbraw/zinc/22/29/27/426222927.db2.gz JNBVCNZRLRKEBQ-UHFFFAOYSA-N 1 2 322.368 2.896 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000172537786 426228598 /nfs/dbraw/zinc/22/85/98/426228598.db2.gz XVGNELPSIVYQBN-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000172537786 426228599 /nfs/dbraw/zinc/22/85/99/426228599.db2.gz XVGNELPSIVYQBN-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnnn1-c1ccccc1 ZINC000174358276 426253681 /nfs/dbraw/zinc/25/36/81/426253681.db2.gz SWBFXHAFNTVEIL-ZIAGYGMSSA-N 1 2 318.384 2.946 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151808687 426313104 /nfs/dbraw/zinc/31/31/04/426313104.db2.gz LXHKMXVOVUQOJQ-QGZVFWFLSA-N 1 2 320.396 2.532 20 30 DFEDLO C#CCCCCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000152053821 426324272 /nfs/dbraw/zinc/32/42/72/426324272.db2.gz VXKOZJKYZFZTGY-UHFFFAOYSA-N 1 2 324.428 2.729 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092936110 426352992 /nfs/dbraw/zinc/35/29/92/426352992.db2.gz IXGAEXIWKXCMFS-UHFFFAOYSA-N 1 2 310.376 2.529 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCOCC23CCC3)cc(OC)c1O ZINC000093510037 426357053 /nfs/dbraw/zinc/35/70/53/426357053.db2.gz FNEGZYQHSTZZAO-UHFFFAOYSA-N 1 2 303.402 2.884 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCOCC23CCC3)cc(OC)c1O ZINC000093510037 426357055 /nfs/dbraw/zinc/35/70/55/426357055.db2.gz FNEGZYQHSTZZAO-UHFFFAOYSA-N 1 2 303.402 2.884 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000093647592 426357788 /nfs/dbraw/zinc/35/77/88/426357788.db2.gz QEYIXMFBCMGLKH-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000093647592 426357790 /nfs/dbraw/zinc/35/77/90/426357790.db2.gz QEYIXMFBCMGLKH-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153447727 426386175 /nfs/dbraw/zinc/38/61/75/426386175.db2.gz JDZXTOZMLJRSSF-CQSZACIVSA-N 1 2 313.336 2.590 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000153817433 426407710 /nfs/dbraw/zinc/40/77/10/426407710.db2.gz YAIKSXIVTSYPRD-ZDUSSCGKSA-N 1 2 301.419 2.959 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153837821 426409009 /nfs/dbraw/zinc/40/90/09/426409009.db2.gz CTAHOHZVZNITEF-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153837821 426409010 /nfs/dbraw/zinc/40/90/10/426409010.db2.gz CTAHOHZVZNITEF-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176829030 426418667 /nfs/dbraw/zinc/41/86/67/426418667.db2.gz URGANUCFHGHTTR-UHFFFAOYSA-N 1 2 308.385 2.781 20 30 DFEDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176829030 426418670 /nfs/dbraw/zinc/41/86/70/426418670.db2.gz URGANUCFHGHTTR-UHFFFAOYSA-N 1 2 308.385 2.781 20 30 DFEDLO Cc1cc(C(N)=[NH+]OCc2nc(C(C)(C)C)no2)ccc1F ZINC000123383283 426429681 /nfs/dbraw/zinc/42/96/81/426429681.db2.gz SBADMGBUPSEDCT-UHFFFAOYSA-N 1 2 306.341 2.652 20 30 DFEDLO COCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177165207 426450124 /nfs/dbraw/zinc/45/01/24/426450124.db2.gz IUVWSCCMLXFKJK-UHFFFAOYSA-N 1 2 321.446 2.534 20 30 DFEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)o1 ZINC000154847317 426457775 /nfs/dbraw/zinc/45/77/75/426457775.db2.gz MLTFXKVAPIRAJG-UHFFFAOYSA-N 1 2 313.357 2.620 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)o1 ZINC000154847317 426457778 /nfs/dbraw/zinc/45/77/78/426457778.db2.gz MLTFXKVAPIRAJG-UHFFFAOYSA-N 1 2 313.357 2.620 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000264172714 426510580 /nfs/dbraw/zinc/51/05/80/426510580.db2.gz ZSXXFCRJTMDWAS-LBPRGKRZSA-N 1 2 312.373 2.854 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264189656 426513539 /nfs/dbraw/zinc/51/35/39/426513539.db2.gz MFOLRXNRTUQPNJ-LBPRGKRZSA-N 1 2 314.345 2.884 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264189656 426513544 /nfs/dbraw/zinc/51/35/44/426513544.db2.gz MFOLRXNRTUQPNJ-LBPRGKRZSA-N 1 2 314.345 2.884 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000280250501 426529953 /nfs/dbraw/zinc/52/99/53/426529953.db2.gz BKFVJGMWARMQKO-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000280250501 426529955 /nfs/dbraw/zinc/52/99/55/426529955.db2.gz BKFVJGMWARMQKO-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000280250512 426529969 /nfs/dbraw/zinc/52/99/69/426529969.db2.gz BKFVJGMWARMQKO-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC000280250512 426529972 /nfs/dbraw/zinc/52/99/72/426529972.db2.gz BKFVJGMWARMQKO-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCSCC(=O)OC)c(O)c1 ZINC000264334969 426538600 /nfs/dbraw/zinc/53/86/00/426538600.db2.gz QMLVQGJTSAZWMS-MHWRWJLKSA-N 1 2 311.403 2.506 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000264444323 426553990 /nfs/dbraw/zinc/55/39/90/426553990.db2.gz GOPSJVRASNPNSK-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264858100 426577783 /nfs/dbraw/zinc/57/77/83/426577783.db2.gz LEWJJULQARRMQQ-MRXNPFEDSA-N 1 2 308.385 2.845 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469233 426581143 /nfs/dbraw/zinc/58/11/43/426581143.db2.gz OVIOUIGYKWYOHP-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000280469233 426581144 /nfs/dbraw/zinc/58/11/44/426581144.db2.gz OVIOUIGYKWYOHP-YOEHRIQHSA-N 1 2 305.805 2.571 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)C2)c(C#N)c1C ZINC000187007487 426621162 /nfs/dbraw/zinc/62/11/62/426621162.db2.gz SFURNOMPOMHHOG-LBPRGKRZSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC3)C2)c(C#N)c1C ZINC000187007487 426621173 /nfs/dbraw/zinc/62/11/73/426621173.db2.gz SFURNOMPOMHHOG-LBPRGKRZSA-N 1 2 301.390 2.971 20 30 DFEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273283110 426633673 /nfs/dbraw/zinc/63/36/73/426633673.db2.gz JHLOLPZZKJYSIC-CYBMUJFWSA-N 1 2 314.345 2.709 20 30 DFEDLO Cc1ccnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000273324634 426642478 /nfs/dbraw/zinc/64/24/78/426642478.db2.gz KZXPKAAXUSGGEF-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000280742969 426645964 /nfs/dbraw/zinc/64/59/64/426645964.db2.gz LIZIKTXHVLCXHI-YOEHRIQHSA-N 1 2 302.422 2.860 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000280742969 426645970 /nfs/dbraw/zinc/64/59/70/426645970.db2.gz LIZIKTXHVLCXHI-YOEHRIQHSA-N 1 2 302.422 2.860 20 30 DFEDLO Cc1nc(N2CCN(c3c(Cl)cccc3C#N)CC2)cc[nH+]1 ZINC000273536409 426681280 /nfs/dbraw/zinc/68/12/80/426681280.db2.gz VQYVCVTUFRUAOQ-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000281383756 426716267 /nfs/dbraw/zinc/71/62/67/426716267.db2.gz OMVJUEJMHSEBDT-CYBMUJFWSA-N 1 2 304.438 2.966 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000281383763 426716479 /nfs/dbraw/zinc/71/64/79/426716479.db2.gz OMVJUEJMHSEBDT-ZDUSSCGKSA-N 1 2 304.438 2.966 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3cccs3)on2)C1=O ZINC000281523664 426721787 /nfs/dbraw/zinc/72/17/87/426721787.db2.gz ZONBTFJBEVXTTA-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)C1=O ZINC000281523664 426721793 /nfs/dbraw/zinc/72/17/93/426721793.db2.gz ZONBTFJBEVXTTA-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245514171 426746404 /nfs/dbraw/zinc/74/64/04/426746404.db2.gz BMOMKEHJINKYEN-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245514171 426746409 /nfs/dbraw/zinc/74/64/09/426746409.db2.gz BMOMKEHJINKYEN-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000282045122 426819616 /nfs/dbraw/zinc/81/96/16/426819616.db2.gz UWLHLPJHNBTIRS-CQSZACIVSA-N 1 2 318.421 2.703 20 30 DFEDLO N#Cc1c[nH]c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000267081518 426821702 /nfs/dbraw/zinc/82/17/02/426821702.db2.gz KLCNORGNIWQCQH-UHFFFAOYSA-N 1 2 315.402 2.581 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052342 426822208 /nfs/dbraw/zinc/82/22/08/426822208.db2.gz RQBKLLQQUQUHQM-SJORKVTESA-N 1 2 314.429 2.625 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052342 426822213 /nfs/dbraw/zinc/82/22/13/426822213.db2.gz RQBKLLQQUQUHQM-SJORKVTESA-N 1 2 314.429 2.625 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)c(C#N)c1C ZINC000267092083 426824170 /nfs/dbraw/zinc/82/41/70/426824170.db2.gz VASWNOZKXWRSMK-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@H]2CCCCO2)c(C#N)c1C ZINC000267092083 426824171 /nfs/dbraw/zinc/82/41/71/426824171.db2.gz VASWNOZKXWRSMK-CYBMUJFWSA-N 1 2 321.446 2.676 20 30 DFEDLO C#C[C@H](C)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000274746801 426830655 /nfs/dbraw/zinc/83/06/55/426830655.db2.gz DRCFQURTAOMWHN-DZGCQCFKSA-N 1 2 310.401 2.540 20 30 DFEDLO CCC1(CC)CN(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)O1 ZINC000180230172 426845795 /nfs/dbraw/zinc/84/57/95/426845795.db2.gz NXLRGFBLGMYBCN-UHFFFAOYSA-N 1 2 301.390 2.959 20 30 DFEDLO CCC1(CC)CN(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)O1 ZINC000180230172 426845803 /nfs/dbraw/zinc/84/58/03/426845803.db2.gz NXLRGFBLGMYBCN-UHFFFAOYSA-N 1 2 301.390 2.959 20 30 DFEDLO C#CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000282185777 426849218 /nfs/dbraw/zinc/84/92/18/426849218.db2.gz WCIRMYTUXRZHBS-INIZCTEOSA-N 1 2 315.417 2.699 20 30 DFEDLO C#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC000282185777 426849223 /nfs/dbraw/zinc/84/92/23/426849223.db2.gz WCIRMYTUXRZHBS-INIZCTEOSA-N 1 2 315.417 2.699 20 30 DFEDLO C#CCN(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267245613 426854357 /nfs/dbraw/zinc/85/43/57/426854357.db2.gz FYJCDTJQXNFKPJ-OAHLLOKOSA-N 1 2 315.417 2.567 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC000281931333 426795484 /nfs/dbraw/zinc/79/54/84/426795484.db2.gz RLNBEEXDUIFASG-MRXNPFEDSA-N 1 2 321.384 2.532 20 30 DFEDLO C#CCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000282710778 426922709 /nfs/dbraw/zinc/92/27/09/426922709.db2.gz UWNRXCHCABSZDW-CQSZACIVSA-N 1 2 300.406 2.866 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180594288 426871776 /nfs/dbraw/zinc/87/17/76/426871776.db2.gz OYTNQJOTWXESSA-HNNXBMFYSA-N 1 2 309.373 2.760 20 30 DFEDLO C[NH+](C)[C@H](CNc1ccc(C#N)nc1)c1c(F)cccc1F ZINC000267337402 426874607 /nfs/dbraw/zinc/87/46/07/426874607.db2.gz CXKJZXAGEQEPPI-OAHLLOKOSA-N 1 2 302.328 2.946 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247296797 426925779 /nfs/dbraw/zinc/92/57/79/426925779.db2.gz LDFBIUHIGFKOAP-IAGOWNOFSA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247296797 426925788 /nfs/dbraw/zinc/92/57/88/426925788.db2.gz LDFBIUHIGFKOAP-IAGOWNOFSA-N 1 2 305.805 2.571 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NC[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000291718135 426963038 /nfs/dbraw/zinc/96/30/38/426963038.db2.gz WJRJWKSHULXEDZ-AWEZNQCLSA-N 1 2 310.401 2.548 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)[C@H](C)CC ZINC000181629403 426970342 /nfs/dbraw/zinc/97/03/42/426970342.db2.gz UALUKGXBTDUOSF-CJNGLKHVSA-N 1 2 304.390 2.504 20 30 DFEDLO CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328599053 426979969 /nfs/dbraw/zinc/97/99/69/426979969.db2.gz BPZFVCLLPSKMPS-FRRDWIJNSA-N 1 2 304.438 2.798 20 30 DFEDLO C[C@@]1(F)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295543513 426999719 /nfs/dbraw/zinc/99/97/19/426999719.db2.gz WJPQQECPWRSZNY-MRXNPFEDSA-N 1 2 300.337 2.932 20 30 DFEDLO C[C@@]1(F)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295543513 426999722 /nfs/dbraw/zinc/99/97/22/426999722.db2.gz WJPQQECPWRSZNY-MRXNPFEDSA-N 1 2 300.337 2.932 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC=C(c2ccccc2)C1 ZINC000328872427 427005909 /nfs/dbraw/zinc/00/59/09/427005909.db2.gz ISGZAJVOMAKRQB-QGZVFWFLSA-N 1 2 322.412 2.901 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@@H]1CCNC1=O ZINC000328889236 427010735 /nfs/dbraw/zinc/01/07/35/427010735.db2.gz QJICEAJIFMPKPO-AUUDPHHASA-N 1 2 319.449 2.961 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@@H]1CCNC1=O ZINC000328889236 427010740 /nfs/dbraw/zinc/01/07/40/427010740.db2.gz QJICEAJIFMPKPO-AUUDPHHASA-N 1 2 319.449 2.961 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248569000 427015322 /nfs/dbraw/zinc/01/53/22/427015322.db2.gz QZZDKRPVGQWARR-VQISRLSMSA-N 1 2 323.799 2.545 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248569000 427015330 /nfs/dbraw/zinc/01/53/30/427015330.db2.gz QZZDKRPVGQWARR-VQISRLSMSA-N 1 2 323.799 2.545 20 30 DFEDLO N#Cc1ccnc(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000268433638 427015867 /nfs/dbraw/zinc/01/58/67/427015867.db2.gz BLTJCWDRKOZGKJ-UHFFFAOYSA-N 1 2 310.317 2.600 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ncoc1C1CC1)CCC2 ZINC000329010246 427024831 /nfs/dbraw/zinc/02/48/31/427024831.db2.gz ZLYVBKSQMUFEKZ-LBPRGKRZSA-N 1 2 300.362 2.939 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329059528 427033141 /nfs/dbraw/zinc/03/31/41/427033141.db2.gz JDNPXXBXDWTQBI-CRAIPNDOSA-N 1 2 324.465 2.793 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329059528 427033146 /nfs/dbraw/zinc/03/31/46/427033146.db2.gz JDNPXXBXDWTQBI-CRAIPNDOSA-N 1 2 324.465 2.793 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000190153050 427033165 /nfs/dbraw/zinc/03/31/65/427033165.db2.gz IPRJTKHHSXQZKS-DOMZBBRYSA-N 1 2 322.836 2.991 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000190153050 427033170 /nfs/dbraw/zinc/03/31/70/427033170.db2.gz IPRJTKHHSXQZKS-DOMZBBRYSA-N 1 2 322.836 2.991 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329065692 427038070 /nfs/dbraw/zinc/03/80/70/427038070.db2.gz WHFFEBVJDLAQPC-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329065692 427038077 /nfs/dbraw/zinc/03/80/77/427038077.db2.gz WHFFEBVJDLAQPC-SNVBAGLBSA-N 1 2 322.315 2.734 20 30 DFEDLO [O-]C(NC(C1CCC1)C1CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329205747 427065011 /nfs/dbraw/zinc/06/50/11/427065011.db2.gz DNEFLJBQZMMAOR-CQSZACIVSA-N 1 2 302.422 2.670 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C(C1CCC1)C1CCC1 ZINC000329205747 427065015 /nfs/dbraw/zinc/06/50/15/427065015.db2.gz DNEFLJBQZMMAOR-CQSZACIVSA-N 1 2 302.422 2.670 20 30 DFEDLO CCN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1CC1 ZINC000329273518 427079583 /nfs/dbraw/zinc/07/95/83/427079583.db2.gz JZTJPOKQJCEWMW-LBPRGKRZSA-N 1 2 304.438 2.894 20 30 DFEDLO CCC1(CC)[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1OC ZINC000329324767 427091603 /nfs/dbraw/zinc/09/16/03/427091603.db2.gz IHQGWUNQODSPJH-CABCVRRESA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000296186044 427107063 /nfs/dbraw/zinc/10/70/63/427107063.db2.gz LMXSPRANGBXOEY-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000296186044 427107067 /nfs/dbraw/zinc/10/70/67/427107067.db2.gz LMXSPRANGBXOEY-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO CC[C@@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329413096 427109110 /nfs/dbraw/zinc/10/91/10/427109110.db2.gz CMJWIMWTNDNDJZ-UKRRQHHQSA-N 1 2 320.437 2.534 20 30 DFEDLO CN(CC#Cc1ccccc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000276782168 427117664 /nfs/dbraw/zinc/11/76/64/427117664.db2.gz JMKUUFXUMOTFFE-UHFFFAOYSA-N 1 2 307.319 2.929 20 30 DFEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000182665008 427118884 /nfs/dbraw/zinc/11/88/84/427118884.db2.gz YFZNFYINTAAZQM-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000182665008 427118892 /nfs/dbraw/zinc/11/88/92/427118892.db2.gz YFZNFYINTAAZQM-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329451688 427120070 /nfs/dbraw/zinc/12/00/70/427120070.db2.gz DXADKECVISFDEH-HBUWYVDXSA-N 1 2 319.449 2.979 20 30 DFEDLO Cn1cc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cc1C#N ZINC000276793215 427120245 /nfs/dbraw/zinc/12/02/45/427120245.db2.gz UASDNHMHOTWYKB-QGZVFWFLSA-N 1 2 309.417 2.836 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1C#N ZINC000276793215 427120251 /nfs/dbraw/zinc/12/02/51/427120251.db2.gz UASDNHMHOTWYKB-QGZVFWFLSA-N 1 2 309.417 2.836 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1C#N ZINC000276793215 427120259 /nfs/dbraw/zinc/12/02/59/427120259.db2.gz UASDNHMHOTWYKB-QGZVFWFLSA-N 1 2 309.417 2.836 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[C@H]1CCCCO1)CCC2 ZINC000329529992 427134014 /nfs/dbraw/zinc/13/40/14/427134014.db2.gz VLKMUIODCQKIQK-LSDHHAIUSA-N 1 2 320.437 2.532 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000249908928 427150777 /nfs/dbraw/zinc/15/07/77/427150777.db2.gz VMWLMDPKUXSDQZ-HZSPNIEDSA-N 1 2 305.397 2.873 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000249908928 427150782 /nfs/dbraw/zinc/15/07/82/427150782.db2.gz VMWLMDPKUXSDQZ-HZSPNIEDSA-N 1 2 305.397 2.873 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OC ZINC000277287816 427151453 /nfs/dbraw/zinc/15/14/53/427151453.db2.gz ACJQWRAOQMFNQU-JLCFBVMHSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1OC ZINC000277287816 427151461 /nfs/dbraw/zinc/15/14/61/427151461.db2.gz ACJQWRAOQMFNQU-JLCFBVMHSA-N 1 2 323.458 2.603 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000249918696 427151622 /nfs/dbraw/zinc/15/16/22/427151622.db2.gz YDYCKXWFZJRFEF-BZUAXINKSA-N 1 2 301.434 2.776 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000249918696 427151627 /nfs/dbraw/zinc/15/16/27/427151627.db2.gz YDYCKXWFZJRFEF-BZUAXINKSA-N 1 2 301.434 2.776 20 30 DFEDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000292303509 427165763 /nfs/dbraw/zinc/16/57/63/427165763.db2.gz ATVIAZSXDRGSOL-MRXNPFEDSA-N 1 2 320.458 2.698 20 30 DFEDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000292303509 427165767 /nfs/dbraw/zinc/16/57/67/427165767.db2.gz ATVIAZSXDRGSOL-MRXNPFEDSA-N 1 2 320.458 2.698 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000190640256 271216285 /nfs/dbraw/zinc/21/62/85/271216285.db2.gz CCSNPTXJIIXFJZ-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000190640256 271216288 /nfs/dbraw/zinc/21/62/88/271216288.db2.gz CCSNPTXJIIXFJZ-MRXNPFEDSA-N 1 2 316.401 2.873 20 30 DFEDLO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000190766282 427175951 /nfs/dbraw/zinc/17/59/51/427175951.db2.gz FJNDLRCTQJTRMV-KSSFIOAISA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000190766282 427175959 /nfs/dbraw/zinc/17/59/59/427175959.db2.gz FJNDLRCTQJTRMV-KSSFIOAISA-N 1 2 310.401 2.909 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338256111 427219604 /nfs/dbraw/zinc/21/96/04/427219604.db2.gz JHQODSJPTJCLPE-CJNGLKHVSA-N 1 2 322.836 2.794 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000269485069 427207882 /nfs/dbraw/zinc/20/78/82/427207882.db2.gz XLRBHSRPPUQEAV-PWSUYJOCSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000269485069 427207886 /nfs/dbraw/zinc/20/78/86/427207886.db2.gz XLRBHSRPPUQEAV-PWSUYJOCSA-N 1 2 307.419 2.532 20 30 DFEDLO CC(C)Oc1ccccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330655034 427285035 /nfs/dbraw/zinc/28/50/35/427285035.db2.gz MJJRMKAZMFHGIB-UHFFFAOYSA-N 1 2 320.433 2.889 20 30 DFEDLO CC(C)Oc1ccccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330655034 427285039 /nfs/dbraw/zinc/28/50/39/427285039.db2.gz MJJRMKAZMFHGIB-UHFFFAOYSA-N 1 2 320.433 2.889 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293157718 427229170 /nfs/dbraw/zinc/22/91/70/427229170.db2.gz VKNWJBPIPATVMC-UHFFFAOYSA-N 1 2 306.793 2.941 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000338304824 427250033 /nfs/dbraw/zinc/25/00/33/427250033.db2.gz IBMVJXZZAYECRW-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000338304824 427250042 /nfs/dbraw/zinc/25/00/42/427250042.db2.gz IBMVJXZZAYECRW-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO CCc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C ZINC000330597228 427269446 /nfs/dbraw/zinc/26/94/46/427269446.db2.gz DPYYBFXJNBQMPJ-UHFFFAOYSA-N 1 2 319.449 2.994 20 30 DFEDLO CCc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C ZINC000330597228 427269453 /nfs/dbraw/zinc/26/94/53/427269453.db2.gz DPYYBFXJNBQMPJ-UHFFFAOYSA-N 1 2 319.449 2.994 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000285573609 427276784 /nfs/dbraw/zinc/27/67/84/427276784.db2.gz GUSBICYGVZZZQQ-BLLLJJGKSA-N 1 2 312.348 2.617 20 30 DFEDLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000338357504 427277115 /nfs/dbraw/zinc/27/71/15/427277115.db2.gz MMRFKMPAUQMCHY-CQSZACIVSA-N 1 2 303.369 2.990 20 30 DFEDLO CC[C@H](CSC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330646814 427282546 /nfs/dbraw/zinc/28/25/46/427282546.db2.gz MPYPPQREGKAMFT-TZMCWYRMSA-N 1 2 309.435 2.590 20 30 DFEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(C)c2C)C1 ZINC000330872157 427311507 /nfs/dbraw/zinc/31/15/07/427311507.db2.gz CGAILLPOFWUFBC-CYBMUJFWSA-N 1 2 324.446 2.555 20 30 DFEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2csc(C)c2C)C1 ZINC000330872157 427311510 /nfs/dbraw/zinc/31/15/10/427311510.db2.gz CGAILLPOFWUFBC-CYBMUJFWSA-N 1 2 324.446 2.555 20 30 DFEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1noc(-c2ccccc2)n1 ZINC000191330317 427320932 /nfs/dbraw/zinc/32/09/32/427320932.db2.gz QRBZEMQEQRCNAH-LBPRGKRZSA-N 1 2 307.357 2.798 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1noc(-c2ccccc2)n1 ZINC000191330331 427320949 /nfs/dbraw/zinc/32/09/49/427320949.db2.gz QRBZEMQEQRCNAH-GFCCVEGCSA-N 1 2 307.357 2.798 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331106556 427344818 /nfs/dbraw/zinc/34/48/18/427344818.db2.gz GQHCTVZIJBROAS-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331106556 427344823 /nfs/dbraw/zinc/34/48/23/427344823.db2.gz GQHCTVZIJBROAS-HNNXBMFYSA-N 1 2 314.433 2.553 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1C ZINC000331101020 427345150 /nfs/dbraw/zinc/34/51/50/427345150.db2.gz OQYCLEUQWUVPFW-ZDUSSCGKSA-N 1 2 322.453 2.578 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1C ZINC000331101020 427345154 /nfs/dbraw/zinc/34/51/54/427345154.db2.gz OQYCLEUQWUVPFW-ZDUSSCGKSA-N 1 2 322.453 2.578 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331118649 427348339 /nfs/dbraw/zinc/34/83/39/427348339.db2.gz WNISJGBHRBODAS-OAHLLOKOSA-N 1 2 305.809 2.702 20 30 DFEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331118649 427348343 /nfs/dbraw/zinc/34/83/43/427348343.db2.gz WNISJGBHRBODAS-OAHLLOKOSA-N 1 2 305.809 2.702 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277703479 427291817 /nfs/dbraw/zinc/29/18/17/427291817.db2.gz YDGXJQGMAWOWPY-HNNXBMFYSA-N 1 2 307.438 2.665 20 30 DFEDLO CC(C)n1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271056402 427391456 /nfs/dbraw/zinc/39/14/56/427391456.db2.gz ZUEQPWCBKOYYTL-UHFFFAOYSA-N 1 2 323.444 2.653 20 30 DFEDLO N#Cc1c(F)cccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191862562 427435987 /nfs/dbraw/zinc/43/59/87/427435987.db2.gz QJLRNFDTQNHASS-UHFFFAOYSA-N 1 2 319.383 2.871 20 30 DFEDLO CCc1nc(N(CCOC)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000286167588 427444483 /nfs/dbraw/zinc/44/44/83/427444483.db2.gz IOOXGSFXYCMVBH-UHFFFAOYSA-N 1 2 310.401 2.872 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176638 427496376 /nfs/dbraw/zinc/49/63/76/427496376.db2.gz DVJLERHTUJNHCV-JQWIXIFHSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176638 427496381 /nfs/dbraw/zinc/49/63/81/427496381.db2.gz DVJLERHTUJNHCV-JQWIXIFHSA-N 1 2 321.446 2.923 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000192224211 427505983 /nfs/dbraw/zinc/50/59/83/427505983.db2.gz LYUGNZUIXOLEAD-KRWDZBQOSA-N 1 2 316.401 2.658 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000192224211 427505986 /nfs/dbraw/zinc/50/59/86/427505986.db2.gz LYUGNZUIXOLEAD-KRWDZBQOSA-N 1 2 316.401 2.658 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000192222272 427506359 /nfs/dbraw/zinc/50/63/59/427506359.db2.gz LDRULSHZLOTXPU-GOSISDBHSA-N 1 2 308.381 2.940 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000192222272 427506363 /nfs/dbraw/zinc/50/63/63/427506363.db2.gz LDRULSHZLOTXPU-GOSISDBHSA-N 1 2 308.381 2.940 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298104236 427522232 /nfs/dbraw/zinc/52/22/32/427522232.db2.gz LPYYCQFXZRREMU-CQSZACIVSA-N 1 2 324.384 2.870 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298104236 427522241 /nfs/dbraw/zinc/52/22/41/427522241.db2.gz LPYYCQFXZRREMU-CQSZACIVSA-N 1 2 324.384 2.870 20 30 DFEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cs1 ZINC000184719856 427526697 /nfs/dbraw/zinc/52/66/97/427526697.db2.gz DMMTZZAAVKZBKQ-SECBINFHSA-N 1 2 320.443 2.928 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000263656650 427534116 /nfs/dbraw/zinc/53/41/16/427534116.db2.gz OFTNQNHVEAULIE-CQSZACIVSA-N 1 2 323.400 2.517 20 30 DFEDLO C=CCCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000279056528 427544620 /nfs/dbraw/zinc/54/46/20/427544620.db2.gz BOZIJZMOBDVJBV-UHFFFAOYSA-N 1 2 304.316 2.553 20 30 DFEDLO C=CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000271471282 427553176 /nfs/dbraw/zinc/55/31/76/427553176.db2.gz RGBQBNIOQUKION-UHFFFAOYSA-N 1 2 310.401 2.791 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000263903544 427605869 /nfs/dbraw/zinc/60/58/69/427605869.db2.gz JXOZAKUUGBPUPO-UHFFFAOYSA-N 1 2 314.393 2.512 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263913539 427607376 /nfs/dbraw/zinc/60/73/76/427607376.db2.gz NEGCWLLBEZZGAV-NWDGAFQWSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000263913539 427607383 /nfs/dbraw/zinc/60/73/83/427607383.db2.gz NEGCWLLBEZZGAV-NWDGAFQWSA-N 1 2 316.323 2.679 20 30 DFEDLO CCN(CCC#N)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000264007777 427633002 /nfs/dbraw/zinc/63/30/02/427633002.db2.gz DUUXACGWTNKOIZ-UHFFFAOYSA-N 1 2 316.430 2.638 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000192979025 427646573 /nfs/dbraw/zinc/64/65/73/427646573.db2.gz SBXMIXMWPVWUAI-UHFFFAOYSA-N 1 2 310.401 2.662 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000264083720 427652825 /nfs/dbraw/zinc/65/28/25/427652825.db2.gz FGQPUJNPSMCWDZ-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCS[C@@H](C)C1 ZINC000264083720 427652830 /nfs/dbraw/zinc/65/28/30/427652830.db2.gz FGQPUJNPSMCWDZ-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000264096797 427656135 /nfs/dbraw/zinc/65/61/35/427656135.db2.gz SYTIYVSIJPBRBN-UHFFFAOYSA-N 1 2 311.389 2.669 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)o1 ZINC000342397859 272004898 /nfs/dbraw/zinc/00/48/98/272004898.db2.gz PHXGLKTUOYZODI-UHFFFAOYSA-N 1 2 320.352 2.520 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279275380 427624759 /nfs/dbraw/zinc/62/47/59/427624759.db2.gz NXSZPFVOJXMSRR-UHFFFAOYSA-N 1 2 324.178 2.936 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279275380 427624766 /nfs/dbraw/zinc/62/47/66/427624766.db2.gz NXSZPFVOJXMSRR-UHFFFAOYSA-N 1 2 324.178 2.936 20 30 DFEDLO Cc1sc(NC(=O)C[NH+]2CCC(CF)CC2)c(C#N)c1C ZINC000295048866 427670946 /nfs/dbraw/zinc/67/09/46/427670946.db2.gz BFSIUICFAZTDQE-UHFFFAOYSA-N 1 2 309.410 2.857 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343343876 272123654 /nfs/dbraw/zinc/12/36/54/272123654.db2.gz OHXOOFKIVFNZTD-UHFFFAOYSA-N 1 2 317.352 2.759 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc[nH+]cc1O ZINC000344198778 272286149 /nfs/dbraw/zinc/28/61/49/272286149.db2.gz ULNZLABUYYWUNZ-UHFFFAOYSA-N 1 2 309.350 2.856 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2C(C)(C)C)n1 ZINC000279479552 427683426 /nfs/dbraw/zinc/68/34/26/427683426.db2.gz WPGZBPIOJPAQNC-UHFFFAOYSA-N 1 2 313.449 2.569 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2C(C)(C)C)n1 ZINC000279479552 427683430 /nfs/dbraw/zinc/68/34/30/427683430.db2.gz WPGZBPIOJPAQNC-UHFFFAOYSA-N 1 2 313.449 2.569 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cnn(C)c1 ZINC000287873786 427708289 /nfs/dbraw/zinc/70/82/89/427708289.db2.gz SLMURJCLVYIKAU-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO C=CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279631400 427715587 /nfs/dbraw/zinc/71/55/87/427715587.db2.gz USCZEDQIRAABIL-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000279631400 427715592 /nfs/dbraw/zinc/71/55/92/427715592.db2.gz USCZEDQIRAABIL-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO COC[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287929446 427717557 /nfs/dbraw/zinc/71/75/57/427717557.db2.gz WQUHWVOOVCOXDH-NSHDSACASA-N 1 2 309.207 2.789 20 30 DFEDLO COC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287929446 427717560 /nfs/dbraw/zinc/71/75/60/427717560.db2.gz WQUHWVOOVCOXDH-NSHDSACASA-N 1 2 309.207 2.789 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000299272433 427764527 /nfs/dbraw/zinc/76/45/27/427764527.db2.gz OMPXJZQAZICMCR-OAHLLOKOSA-N 1 2 317.433 2.669 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000301255329 427784911 /nfs/dbraw/zinc/78/49/11/427784911.db2.gz CYAMHQWLXMOHKD-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#Cc1ccnc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000339265671 427745344 /nfs/dbraw/zinc/74/53/44/427745344.db2.gz RVOPLNJYMKJYST-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO COc1ccc([C@@H](Nc2ccc(C#N)nc2)c2[nH+]ccn2C)cc1 ZINC000301596137 427808410 /nfs/dbraw/zinc/80/84/10/427808410.db2.gz SFZDQPIYSLBRTL-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO Cc1csc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)n1 ZINC000301641930 427811645 /nfs/dbraw/zinc/81/16/45/427811645.db2.gz BPTRVKSTQRPUDN-UHFFFAOYSA-N 1 2 313.430 2.662 20 30 DFEDLO Cc1cc(NCc2ccnc(-n3cccn3)c2)c(C#N)c(C)[nH+]1 ZINC000301670329 427814152 /nfs/dbraw/zinc/81/41/52/427814152.db2.gz NQVKJPWPWJGQIU-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO COc1cccc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)c1 ZINC000301695459 427816741 /nfs/dbraw/zinc/81/67/41/427816741.db2.gz YMDVVIAXPAXZGZ-UHFFFAOYSA-N 1 2 322.412 2.905 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000339755012 427822991 /nfs/dbraw/zinc/82/29/91/427822991.db2.gz CMXMPIDZKSREEZ-IBGZPJMESA-N 1 2 306.409 2.999 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000339755012 427822993 /nfs/dbraw/zinc/82/29/93/427822993.db2.gz CMXMPIDZKSREEZ-IBGZPJMESA-N 1 2 306.409 2.999 20 30 DFEDLO COc1cc(CNc2cc(C)[nH+]c(C)c2C#N)cc(OC)c1O ZINC000301803747 427825770 /nfs/dbraw/zinc/82/57/70/427825770.db2.gz XBFLNRKZXUXLQW-UHFFFAOYSA-N 1 2 313.357 2.905 20 30 DFEDLO N#Cc1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nn1 ZINC000301947033 427845055 /nfs/dbraw/zinc/84/50/55/427845055.db2.gz XSTYPHJHCBNHHL-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302900376 427889454 /nfs/dbraw/zinc/88/94/54/427889454.db2.gz SMJVATGERBCQHM-OAHLLOKOSA-N 1 2 317.396 2.708 20 30 DFEDLO OC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(F)cccc1F ZINC000359533276 427895772 /nfs/dbraw/zinc/89/57/72/427895772.db2.gz XKKOKPYZRQVQRQ-MRXNPFEDSA-N 1 2 305.299 2.779 20 30 DFEDLO C=CC[C@H](C(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000369495326 427980689 /nfs/dbraw/zinc/98/06/89/427980689.db2.gz ZCSNUNNKWDOGOQ-RDJZCZTQSA-N 1 2 309.413 2.922 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000340118383 427931163 /nfs/dbraw/zinc/93/11/63/427931163.db2.gz AHAJDBHLPLOUFP-LLVKDONJSA-N 1 2 313.426 2.858 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000340118383 427931170 /nfs/dbraw/zinc/93/11/70/427931170.db2.gz AHAJDBHLPLOUFP-LLVKDONJSA-N 1 2 313.426 2.858 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000350091290 427933482 /nfs/dbraw/zinc/93/34/82/427933482.db2.gz ZCPJKMWYSPVXQE-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000350091290 427933488 /nfs/dbraw/zinc/93/34/88/427933488.db2.gz ZCPJKMWYSPVXQE-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000350107894 427934279 /nfs/dbraw/zinc/93/42/79/427934279.db2.gz CLUTZIIQBHAPOK-UHFFFAOYSA-N 1 2 313.405 2.506 20 30 DFEDLO COc1cccc([C@H](NCc2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000369674615 428034150 /nfs/dbraw/zinc/03/41/50/428034150.db2.gz WYHVFOGCKDXMHS-KRWDZBQOSA-N 1 2 322.368 2.773 20 30 DFEDLO N#Cc1csc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)n1 ZINC000356130191 428035656 /nfs/dbraw/zinc/03/56/56/428035656.db2.gz DKVBEGIWRKFIRB-INIZCTEOSA-N 1 2 313.426 2.848 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)n1 ZINC000356130191 428035662 /nfs/dbraw/zinc/03/56/62/428035662.db2.gz DKVBEGIWRKFIRB-INIZCTEOSA-N 1 2 313.426 2.848 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cscc1C#N ZINC000340355165 427996537 /nfs/dbraw/zinc/99/65/37/427996537.db2.gz HDNVWKBKOQHBCA-UHFFFAOYSA-N 1 2 310.382 2.708 20 30 DFEDLO CN(C)c1nccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000341134395 428001015 /nfs/dbraw/zinc/00/10/15/428001015.db2.gz KFFVLDNPZRJMML-ROUUACIJSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1nccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000341134395 428001019 /nfs/dbraw/zinc/00/10/19/428001019.db2.gz KFFVLDNPZRJMML-ROUUACIJSA-N 1 2 321.428 2.814 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356196000 428061374 /nfs/dbraw/zinc/06/13/74/428061374.db2.gz RQAUKWMFPLXMNV-QWHCGFSZSA-N 1 2 320.462 2.532 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356196000 428061380 /nfs/dbraw/zinc/06/13/80/428061380.db2.gz RQAUKWMFPLXMNV-QWHCGFSZSA-N 1 2 320.462 2.532 20 30 DFEDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356093681 428018900 /nfs/dbraw/zinc/01/89/00/428018900.db2.gz VOISNVFRJAGZBS-GFCCVEGCSA-N 1 2 324.413 2.788 20 30 DFEDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356093681 428018904 /nfs/dbraw/zinc/01/89/04/428018904.db2.gz VOISNVFRJAGZBS-GFCCVEGCSA-N 1 2 324.413 2.788 20 30 DFEDLO CCCCCC(=O)NC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356210246 428070261 /nfs/dbraw/zinc/07/02/61/428070261.db2.gz CGBCXMQMVLHVRR-UHFFFAOYSA-N 1 2 320.462 2.676 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369920333 428090366 /nfs/dbraw/zinc/09/03/66/428090366.db2.gz OKUWBHVAEYAUJH-FZMZJTMJSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369920333 428090372 /nfs/dbraw/zinc/09/03/72/428090372.db2.gz OKUWBHVAEYAUJH-FZMZJTMJSA-N 1 2 323.234 2.887 20 30 DFEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000359971048 428097872 /nfs/dbraw/zinc/09/78/72/428097872.db2.gz OUJLNISYRZTDPQ-KRWDZBQOSA-N 1 2 323.375 2.649 20 30 DFEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000377309433 428104586 /nfs/dbraw/zinc/10/45/86/428104586.db2.gz RCWMMEZQBHHHJK-CYBMUJFWSA-N 1 2 320.400 2.730 20 30 DFEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000377309433 428104591 /nfs/dbraw/zinc/10/45/91/428104591.db2.gz RCWMMEZQBHHHJK-CYBMUJFWSA-N 1 2 320.400 2.730 20 30 DFEDLO CCOC(=O)c1ccc(C#N)c(SCCCn2cc[nH+]c2)n1 ZINC000351697919 428106490 /nfs/dbraw/zinc/10/64/90/428106490.db2.gz SUKOWFSVQGBCRP-UHFFFAOYSA-N 1 2 316.386 2.509 20 30 DFEDLO COC(=O)c1cnoc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000351730181 428108062 /nfs/dbraw/zinc/10/80/62/428108062.db2.gz LYYPDDQZFYZWPG-UHFFFAOYSA-N 1 2 323.352 2.622 20 30 DFEDLO COC(=O)c1cnoc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000351730181 428108068 /nfs/dbraw/zinc/10/80/68/428108068.db2.gz LYYPDDQZFYZWPG-UHFFFAOYSA-N 1 2 323.352 2.622 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC000356311897 428121476 /nfs/dbraw/zinc/12/14/76/428121476.db2.gz WQIUQHCHBLDSGP-GOEBONIOSA-N 1 2 313.426 2.613 20 30 DFEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC000356311897 428121477 /nfs/dbraw/zinc/12/14/77/428121477.db2.gz WQIUQHCHBLDSGP-GOEBONIOSA-N 1 2 313.426 2.613 20 30 DFEDLO CCCCNc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(N)[nH+]1 ZINC000341744654 428178646 /nfs/dbraw/zinc/17/86/46/428178646.db2.gz PSGMFFGJDZPWBX-LBPRGKRZSA-N 1 2 310.405 2.737 20 30 DFEDLO CCCCNc1cc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]c(N)n1 ZINC000341744654 428178652 /nfs/dbraw/zinc/17/86/52/428178652.db2.gz PSGMFFGJDZPWBX-LBPRGKRZSA-N 1 2 310.405 2.737 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370421305 428206611 /nfs/dbraw/zinc/20/66/11/428206611.db2.gz NPPTVZKBCLDAAJ-OAHLLOKOSA-N 1 2 313.376 2.799 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000377730060 428210474 /nfs/dbraw/zinc/21/04/74/428210474.db2.gz ZZBDDWRGBOBOIP-NJZAAPMLSA-N 1 2 301.390 2.970 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000377730060 428210481 /nfs/dbraw/zinc/21/04/81/428210481.db2.gz ZZBDDWRGBOBOIP-NJZAAPMLSA-N 1 2 301.390 2.970 20 30 DFEDLO COc1cc[nH+]c(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341805983 428210596 /nfs/dbraw/zinc/21/05/96/428210596.db2.gz DBNBJCAVIDJLGS-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000341981053 428265776 /nfs/dbraw/zinc/26/57/76/428265776.db2.gz DSLPWYMJWLKWPY-HNNXBMFYSA-N 1 2 315.417 2.574 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000342004343 428275432 /nfs/dbraw/zinc/27/54/32/428275432.db2.gz YDRRFJBGCGYKHZ-UHFFFAOYSA-N 1 2 303.793 2.964 20 30 DFEDLO COC(=O)CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352854072 428282466 /nfs/dbraw/zinc/28/24/66/428282466.db2.gz POOYRZNYRNEBDF-AWEZNQCLSA-N 1 2 315.398 2.799 20 30 DFEDLO CCn1cc[nH+]c1CS(=O)(=O)CCC1(C#N)CCCCC1 ZINC000414411142 428289517 /nfs/dbraw/zinc/28/95/17/428289517.db2.gz KDGIGBVPEDBSLP-UHFFFAOYSA-N 1 2 309.435 2.682 20 30 DFEDLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C#N)c1 ZINC000360325249 428252732 /nfs/dbraw/zinc/25/27/32/428252732.db2.gz AEOAKSSCADMFGN-KBXCAEBGSA-N 1 2 321.380 2.737 20 30 DFEDLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000360328569 428253658 /nfs/dbraw/zinc/25/36/58/428253658.db2.gz OJIPVHQMIQCGDR-RVKKMQEKSA-N 1 2 322.412 2.968 20 30 DFEDLO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352909145 428308695 /nfs/dbraw/zinc/30/86/95/428308695.db2.gz YIYZPILRQAUFCF-ZDUSSCGKSA-N 1 2 303.362 2.940 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000346776394 428313003 /nfs/dbraw/zinc/31/30/03/428313003.db2.gz BNCTYOKSISNFOD-GFCCVEGCSA-N 1 2 315.398 2.732 20 30 DFEDLO Cc1ccn2cc(CNc3nc4ccccn4c3C#N)[nH+]c2c1 ZINC000342200195 428345875 /nfs/dbraw/zinc/34/58/75/428345875.db2.gz BVDYWDPGTXVLRC-UHFFFAOYSA-N 1 2 302.341 2.774 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(CC)nc1 ZINC000414438960 428299871 /nfs/dbraw/zinc/29/98/71/428299871.db2.gz JPZUOXHQBXOOOF-UHFFFAOYSA-N 1 2 301.390 2.703 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(CC)nc1 ZINC000414438960 428299875 /nfs/dbraw/zinc/29/98/75/428299875.db2.gz JPZUOXHQBXOOOF-UHFFFAOYSA-N 1 2 301.390 2.703 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000346970544 428388648 /nfs/dbraw/zinc/38/86/48/428388648.db2.gz IOCVDFSANASXLO-LBTNJELSSA-N 1 2 314.433 2.598 20 30 DFEDLO C#CCN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000360699200 428406207 /nfs/dbraw/zinc/40/62/07/428406207.db2.gz NQVKXJXYYBANIR-INIZCTEOSA-N 1 2 311.429 2.702 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715325 428412290 /nfs/dbraw/zinc/41/22/90/428412290.db2.gz NEEYBVOQPYMNGC-ZIAGYGMSSA-N 1 2 323.437 2.813 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)C(=O)CCCC#N ZINC000360715325 428412297 /nfs/dbraw/zinc/41/22/97/428412297.db2.gz NEEYBVOQPYMNGC-ZIAGYGMSSA-N 1 2 323.437 2.813 20 30 DFEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1cccc(C#N)c1 ZINC000360609270 428365506 /nfs/dbraw/zinc/36/55/06/428365506.db2.gz BBOLNWIWEAITPD-BLLLJJGKSA-N 1 2 308.385 2.663 20 30 DFEDLO N#CCc1ccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000360625938 428373189 /nfs/dbraw/zinc/37/31/89/428373189.db2.gz CRPXWPUELNLBQC-UHFFFAOYSA-N 1 2 305.381 2.601 20 30 DFEDLO N#CCc1ccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000360625938 428373197 /nfs/dbraw/zinc/37/31/97/428373197.db2.gz CRPXWPUELNLBQC-UHFFFAOYSA-N 1 2 305.381 2.601 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342634250 428436571 /nfs/dbraw/zinc/43/65/71/428436571.db2.gz JHKDTOYUUOQTTB-NSHDSACASA-N 1 2 301.346 2.820 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342634250 428436580 /nfs/dbraw/zinc/43/65/80/428436580.db2.gz JHKDTOYUUOQTTB-NSHDSACASA-N 1 2 301.346 2.820 20 30 DFEDLO C=CCCOCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342676541 428438687 /nfs/dbraw/zinc/43/86/87/428438687.db2.gz KZKUCUAXYWKQFB-KRWDZBQOSA-N 1 2 303.381 2.831 20 30 DFEDLO C=CCC[N@@H+](C)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000342762944 428449627 /nfs/dbraw/zinc/44/96/27/428449627.db2.gz HWSGEUOMGGUJAY-UHFFFAOYSA-N 1 2 320.414 2.753 20 30 DFEDLO C=CCC[N@H+](C)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000342762944 428449633 /nfs/dbraw/zinc/44/96/33/428449633.db2.gz HWSGEUOMGGUJAY-UHFFFAOYSA-N 1 2 320.414 2.753 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C[C@@H](C)C#N ZINC000353290734 428471028 /nfs/dbraw/zinc/47/10/28/428471028.db2.gz WYWWXFJANXHNOH-GOEBONIOSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C[C@@H](C)C#N ZINC000353290734 428471031 /nfs/dbraw/zinc/47/10/31/428471031.db2.gz WYWWXFJANXHNOH-GOEBONIOSA-N 1 2 301.434 2.524 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc(C#N)c1Cl)CCC2 ZINC000342802601 428460861 /nfs/dbraw/zinc/46/08/61/428460861.db2.gz OEQRFLBZXZPDOE-LBPRGKRZSA-N 1 2 301.781 3.101 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000372260036 428426186 /nfs/dbraw/zinc/42/61/86/428426186.db2.gz FVQOXBQJYBQWFQ-AWEZNQCLSA-N 1 2 324.384 2.767 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC000342451604 428427439 /nfs/dbraw/zinc/42/74/39/428427439.db2.gz AIBUNUILHCXSSF-UHFFFAOYSA-N 1 2 315.421 2.643 20 30 DFEDLO C=CCCOCCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000342950002 428494889 /nfs/dbraw/zinc/49/48/89/428494889.db2.gz FYDWUFZRWHQWQV-INIZCTEOSA-N 1 2 317.433 2.540 20 30 DFEDLO CC1(C)CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C#N ZINC000373083239 428517549 /nfs/dbraw/zinc/51/75/49/428517549.db2.gz FTVGVFQXQOBRTP-OAHLLOKOSA-N 1 2 317.458 2.647 20 30 DFEDLO CC1(C)CCCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C#N ZINC000373083239 428517553 /nfs/dbraw/zinc/51/75/53/428517553.db2.gz FTVGVFQXQOBRTP-OAHLLOKOSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2cc(Cl)ccn2c1C#N ZINC000357306097 428475691 /nfs/dbraw/zinc/47/56/91/428475691.db2.gz BNYZKFOYMANDBO-JTQLQIEISA-N 1 2 300.753 2.556 20 30 DFEDLO CC#CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000361645822 428586017 /nfs/dbraw/zinc/58/60/17/428586017.db2.gz FNJMKYAFAWCYHH-MSOLQXFVSA-N 1 2 322.412 2.824 20 30 DFEDLO C=CCN(C(=O)NCc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000361104654 428535491 /nfs/dbraw/zinc/53/54/91/428535491.db2.gz QZNBTJPJNVPHLQ-UHFFFAOYSA-N 1 2 310.401 2.947 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347333071 428550461 /nfs/dbraw/zinc/55/04/61/428550461.db2.gz AMFOYYYQRVURBN-RHSMWYFYSA-N 1 2 303.381 2.756 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347333071 428550467 /nfs/dbraw/zinc/55/04/67/428550467.db2.gz AMFOYYYQRVURBN-RHSMWYFYSA-N 1 2 303.381 2.756 20 30 DFEDLO C#CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361235138 428550434 /nfs/dbraw/zinc/55/04/34/428550434.db2.gz XKLTUEVSHARBOK-CABCVRRESA-N 1 2 323.799 2.547 20 30 DFEDLO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361235138 428550439 /nfs/dbraw/zinc/55/04/39/428550439.db2.gz XKLTUEVSHARBOK-CABCVRRESA-N 1 2 323.799 2.547 20 30 DFEDLO CC(C)n1cc[nH+]c1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000357699211 428556380 /nfs/dbraw/zinc/55/63/80/428556380.db2.gz SWFYOOBFJGOFOB-UHFFFAOYSA-N 1 2 324.363 3.273 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(F)C2)c1C ZINC000347351815 428559040 /nfs/dbraw/zinc/55/90/40/428559040.db2.gz KMHVJWWTAFFIQC-SFHVURJKSA-N 1 2 317.408 2.984 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](C)(F)C2)c1C ZINC000347351815 428559046 /nfs/dbraw/zinc/55/90/46/428559046.db2.gz KMHVJWWTAFFIQC-SFHVURJKSA-N 1 2 317.408 2.984 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000373578196 428611460 /nfs/dbraw/zinc/61/14/60/428611460.db2.gz QLFXWEXBPRDGGT-IAGOWNOFSA-N 1 2 322.412 2.824 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000347706592 428621665 /nfs/dbraw/zinc/62/16/65/428621665.db2.gz OZLSABUFCXYXBF-GXFFZTMASA-N 1 2 311.307 2.926 20 30 DFEDLO C=CCN1CC[C@@H](N(C)c2cc(C(C)C)[nH+]c(C(C)C)n2)C1=O ZINC000358657713 428622242 /nfs/dbraw/zinc/62/22/42/428622242.db2.gz CUSTVPDTBIOORO-OAHLLOKOSA-N 1 2 316.449 2.947 20 30 DFEDLO COc1cc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)ccc1C#N ZINC000353631401 428631731 /nfs/dbraw/zinc/63/17/31/428631731.db2.gz QAXAEACSSNJNOY-QGZVFWFLSA-N 1 2 319.368 2.564 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)n1 ZINC000373813294 428650735 /nfs/dbraw/zinc/65/07/35/428650735.db2.gz SOHRDKNUPIDATA-SFHVURJKSA-N 1 2 319.408 2.845 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)n1 ZINC000373813294 428650739 /nfs/dbraw/zinc/65/07/39/428650739.db2.gz SOHRDKNUPIDATA-SFHVURJKSA-N 1 2 319.408 2.845 20 30 DFEDLO C#Cc1cccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000362179347 428651007 /nfs/dbraw/zinc/65/10/07/428651007.db2.gz KXQGYSHOQGUXBL-OAHLLOKOSA-N 1 2 308.385 2.872 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cs1 ZINC000348326000 428707473 /nfs/dbraw/zinc/70/74/73/428707473.db2.gz ZUJZRWDMEJZGDW-MRVPVSSYSA-N 1 2 306.416 2.674 20 30 DFEDLO N#Cc1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000358883590 428716513 /nfs/dbraw/zinc/71/65/13/428716513.db2.gz RLVUILTUEZBGEC-UHFFFAOYSA-N 1 2 315.686 2.978 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000362371326 428722946 /nfs/dbraw/zinc/72/29/46/428722946.db2.gz QLPLFCSYLBVUQW-FZMZJTMJSA-N 1 2 302.353 2.522 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000374352124 428677820 /nfs/dbraw/zinc/67/78/20/428677820.db2.gz OITDFSBUHFYRFF-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000374352124 428677824 /nfs/dbraw/zinc/67/78/24/428677824.db2.gz OITDFSBUHFYRFF-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416168726 428680712 /nfs/dbraw/zinc/68/07/12/428680712.db2.gz ZWSRFRPIGMAGCE-CYBMUJFWSA-N 1 2 309.413 2.917 20 30 DFEDLO C=CC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416168726 428680719 /nfs/dbraw/zinc/68/07/19/428680719.db2.gz ZWSRFRPIGMAGCE-CYBMUJFWSA-N 1 2 309.413 2.917 20 30 DFEDLO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1ccc(C)[nH+]c1C ZINC000358807816 428684848 /nfs/dbraw/zinc/68/48/48/428684848.db2.gz YNXMNMXEADSQJI-UHFFFAOYSA-N 1 2 304.353 2.637 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000411192321 428756999 /nfs/dbraw/zinc/75/69/99/428756999.db2.gz LGHFENIYAAERKB-OAHLLOKOSA-N 1 2 306.362 2.925 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000411192321 428757005 /nfs/dbraw/zinc/75/70/05/428757005.db2.gz LGHFENIYAAERKB-OAHLLOKOSA-N 1 2 306.362 2.925 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)OC)C1CC1 ZINC000411191583 428757182 /nfs/dbraw/zinc/75/71/82/428757182.db2.gz JVXNMHKIRZPYRG-HNNXBMFYSA-N 1 2 304.346 2.534 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)OC)C1CC1 ZINC000411191583 428757184 /nfs/dbraw/zinc/75/71/84/428757184.db2.gz JVXNMHKIRZPYRG-HNNXBMFYSA-N 1 2 304.346 2.534 20 30 DFEDLO C[C@H]1CCC[C@H](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000362481032 428763160 /nfs/dbraw/zinc/76/31/60/428763160.db2.gz VSINEWDNSMENSQ-ZWKOTPCHSA-N 1 2 307.482 2.751 20 30 DFEDLO Cc1nc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)sc1SCC#N ZINC000362681606 428798439 /nfs/dbraw/zinc/79/84/39/428798439.db2.gz QWGSLUHZUFWJBN-UHFFFAOYSA-N 1 2 321.431 2.707 20 30 DFEDLO Cc1nc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)sc1SCC#N ZINC000362681606 428798448 /nfs/dbraw/zinc/79/84/48/428798448.db2.gz QWGSLUHZUFWJBN-UHFFFAOYSA-N 1 2 321.431 2.707 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000362976274 428829556 /nfs/dbraw/zinc/82/95/56/428829556.db2.gz JQIYKHNVNQXBSK-UHFFFAOYSA-N 1 2 317.439 2.639 20 30 DFEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(OC)c1OC ZINC000354033670 428833848 /nfs/dbraw/zinc/83/38/48/428833848.db2.gz MVUXKJZXDHKGDB-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(OC)c1OC ZINC000354033670 428833850 /nfs/dbraw/zinc/83/38/50/428833850.db2.gz MVUXKJZXDHKGDB-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411703298 428843952 /nfs/dbraw/zinc/84/39/52/428843952.db2.gz GMLSKPQQNQDLFG-CABCVRRESA-N 1 2 317.437 2.739 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411703298 428843955 /nfs/dbraw/zinc/84/39/55/428843955.db2.gz GMLSKPQQNQDLFG-CABCVRRESA-N 1 2 317.437 2.739 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000375402682 428876398 /nfs/dbraw/zinc/87/63/98/428876398.db2.gz KGRZNBCYOZCNOY-UHFFFAOYSA-N 1 2 320.820 2.983 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000375402682 428876403 /nfs/dbraw/zinc/87/64/03/428876403.db2.gz KGRZNBCYOZCNOY-UHFFFAOYSA-N 1 2 320.820 2.983 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000375443146 428886467 /nfs/dbraw/zinc/88/64/67/428886467.db2.gz NGUAPMZPRSXXIP-CZUORRHYSA-N 1 2 307.353 2.631 20 30 DFEDLO N#Cc1csc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000419223426 428928384 /nfs/dbraw/zinc/92/83/84/428928384.db2.gz CYILVVFZWMBHJW-CHWSQXEVSA-N 1 2 309.460 2.501 20 30 DFEDLO N#Cc1csc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000419223426 428928389 /nfs/dbraw/zinc/92/83/89/428928389.db2.gz CYILVVFZWMBHJW-CHWSQXEVSA-N 1 2 309.460 2.501 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000419300645 428930925 /nfs/dbraw/zinc/93/09/25/428930925.db2.gz MJSGZNDUKMWFAE-ZBFHGGJFSA-N 1 2 316.401 2.567 20 30 DFEDLO C[C@H](NC(=O)NCC1(C#N)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000419464268 428934293 /nfs/dbraw/zinc/93/42/93/428934293.db2.gz NDIOQAOYHZRMNG-AWEZNQCLSA-N 1 2 323.400 2.926 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349237993 428944816 /nfs/dbraw/zinc/94/48/16/428944816.db2.gz JIHJYJPSXLDNDL-AEFFLSMTSA-N 1 2 320.477 2.857 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349237993 428944820 /nfs/dbraw/zinc/94/48/20/428944820.db2.gz JIHJYJPSXLDNDL-AEFFLSMTSA-N 1 2 320.477 2.857 20 30 DFEDLO CN(CC#Cc1ccc(Cl)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000412083899 428945513 /nfs/dbraw/zinc/94/55/13/428945513.db2.gz BURVUFVHUKCYAD-UHFFFAOYSA-N 1 2 320.864 2.734 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920797 429017194 /nfs/dbraw/zinc/01/71/94/429017194.db2.gz ONUSQUVCMSEYFF-PBFPGSCMSA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920797 429017199 /nfs/dbraw/zinc/01/71/99/429017199.db2.gz ONUSQUVCMSEYFF-PBFPGSCMSA-N 1 2 320.820 2.980 20 30 DFEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189972 429033211 /nfs/dbraw/zinc/03/32/11/429033211.db2.gz DCUXPZOXEYTCGB-ORAYPTAESA-N 1 2 321.380 2.687 20 30 DFEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189972 429033214 /nfs/dbraw/zinc/03/32/14/429033214.db2.gz DCUXPZOXEYTCGB-ORAYPTAESA-N 1 2 321.380 2.687 20 30 DFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000421032837 428977577 /nfs/dbraw/zinc/97/75/77/428977577.db2.gz XJWOSIGCHTUBSH-RYUDHWBXSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000421032837 428977587 /nfs/dbraw/zinc/97/75/87/428977587.db2.gz XJWOSIGCHTUBSH-RYUDHWBXSA-N 1 2 321.446 2.814 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000421318081 428987371 /nfs/dbraw/zinc/98/73/71/428987371.db2.gz BSVMANCBXILBLS-QGZVFWFLSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000421318081 428987381 /nfs/dbraw/zinc/98/73/81/428987381.db2.gz BSVMANCBXILBLS-QGZVFWFLSA-N 1 2 305.443 2.739 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000349524978 429000184 /nfs/dbraw/zinc/00/01/84/429000184.db2.gz UNVSMSQUEQQOPX-SFHVURJKSA-N 1 2 310.401 2.530 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000349614111 429014276 /nfs/dbraw/zinc/01/42/76/429014276.db2.gz HNZCUCJDLACPLJ-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000452038497 429042305 /nfs/dbraw/zinc/04/23/05/429042305.db2.gz MMOAHLAKABHVND-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000452038497 429042310 /nfs/dbraw/zinc/04/23/10/429042310.db2.gz MMOAHLAKABHVND-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000355436219 429045911 /nfs/dbraw/zinc/04/59/11/429045911.db2.gz QGWCQHIZFTWWOU-CQSZACIVSA-N 1 2 305.397 2.656 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000355436219 429045913 /nfs/dbraw/zinc/04/59/13/429045913.db2.gz QGWCQHIZFTWWOU-CQSZACIVSA-N 1 2 305.397 2.656 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C)c(CC)c1C(=O)OCC ZINC000494702979 429145262 /nfs/dbraw/zinc/14/52/62/429145262.db2.gz MIEKOOBCEYMGLL-UHFFFAOYSA-N 1 2 324.446 2.852 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C)c(CC)c1C(=O)OCC ZINC000494702979 429145266 /nfs/dbraw/zinc/14/52/66/429145266.db2.gz MIEKOOBCEYMGLL-UHFFFAOYSA-N 1 2 324.446 2.852 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000363953184 429147825 /nfs/dbraw/zinc/14/78/25/429147825.db2.gz PBFPSRFWYSBWBG-UHFFFAOYSA-N 1 2 301.781 2.709 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413160911 429153735 /nfs/dbraw/zinc/15/37/35/429153735.db2.gz YRRQOUSKALYLGO-HOTGVXAUSA-N 1 2 318.465 2.866 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413160911 429153741 /nfs/dbraw/zinc/15/37/41/429153741.db2.gz YRRQOUSKALYLGO-HOTGVXAUSA-N 1 2 318.465 2.866 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413160916 429154815 /nfs/dbraw/zinc/15/48/15/429154815.db2.gz YRRQOUSKALYLGO-JKSUJKDBSA-N 1 2 318.465 2.866 20 30 DFEDLO C=CCCCCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413160916 429154823 /nfs/dbraw/zinc/15/48/23/429154823.db2.gz YRRQOUSKALYLGO-JKSUJKDBSA-N 1 2 318.465 2.866 20 30 DFEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000424172238 429103910 /nfs/dbraw/zinc/10/39/10/429103910.db2.gz DCJZEXHDHYJXOP-JTQLQIEISA-N 1 2 302.161 2.659 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)nn1 ZINC000424171013 429105029 /nfs/dbraw/zinc/10/50/29/429105029.db2.gz LAAMHKKZWRFBNZ-UHFFFAOYSA-N 1 2 314.437 2.535 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)nn1 ZINC000424293239 429121769 /nfs/dbraw/zinc/12/17/69/429121769.db2.gz IGCWNFGPMLGXHG-NSHDSACASA-N 1 2 308.332 2.916 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487136137 429135958 /nfs/dbraw/zinc/13/59/58/429135958.db2.gz KECPUWLXYUCQKK-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487136137 429135965 /nfs/dbraw/zinc/13/59/65/429135965.db2.gz KECPUWLXYUCQKK-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NCCNc3cccc[nH+]3)c2c1 ZINC000487891915 429172185 /nfs/dbraw/zinc/17/21/85/429172185.db2.gz BSRMVJMSSDZZJI-UHFFFAOYSA-N 1 2 303.369 2.756 20 30 DFEDLO C[C@H](C#N)C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000488117708 429177003 /nfs/dbraw/zinc/17/70/03/429177003.db2.gz ZFLMTZFXKGLUTR-CYBMUJFWSA-N 1 2 314.385 2.655 20 30 DFEDLO C[C@H](C#N)C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000488117708 429177008 /nfs/dbraw/zinc/17/70/08/429177008.db2.gz ZFLMTZFXKGLUTR-CYBMUJFWSA-N 1 2 314.385 2.655 20 30 DFEDLO Cc1cc(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)ccc1C#N ZINC000488283735 429178026 /nfs/dbraw/zinc/17/80/26/429178026.db2.gz LWINKWYSQRZDND-CQSZACIVSA-N 1 2 318.384 2.693 20 30 DFEDLO Cc1cc(CN2CC[NH+](Cc3cccc(O)c3)CC2)ccc1C#N ZINC000488230747 429178363 /nfs/dbraw/zinc/17/83/63/429178363.db2.gz JLKYEFYHLWUJFC-UHFFFAOYSA-N 1 2 321.424 2.890 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000424726866 429181107 /nfs/dbraw/zinc/18/11/07/429181107.db2.gz YCSBFWAQBQZABQ-JKSUJKDBSA-N 1 2 317.433 2.666 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000488550797 429183463 /nfs/dbraw/zinc/18/34/63/429183463.db2.gz REPPXKQXIYZDKW-UHFFFAOYSA-N 1 2 310.401 2.599 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439449801 429219223 /nfs/dbraw/zinc/21/92/23/429219223.db2.gz JQKXEVVRWQUMII-AWEZNQCLSA-N 1 2 305.809 2.702 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439449801 429219227 /nfs/dbraw/zinc/21/92/27/429219227.db2.gz JQKXEVVRWQUMII-AWEZNQCLSA-N 1 2 305.809 2.702 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455708367 429201490 /nfs/dbraw/zinc/20/14/90/429201490.db2.gz TWRXRVIKYIMZLY-NSHDSACASA-N 1 2 317.780 2.813 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000425126273 429236567 /nfs/dbraw/zinc/23/65/67/429236567.db2.gz HTIRYLIIIVSTSF-CZUORRHYSA-N 1 2 308.385 2.537 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000425138144 429238170 /nfs/dbraw/zinc/23/81/70/429238170.db2.gz YKPQRSQAAGRUGT-BBRMVZONSA-N 1 2 308.385 2.537 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000489497910 429245747 /nfs/dbraw/zinc/24/57/47/429245747.db2.gz LMRMYMBGODVZRZ-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000489497910 429245751 /nfs/dbraw/zinc/24/57/51/429245751.db2.gz LMRMYMBGODVZRZ-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO COc1ccc(OC(F)F)c(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425231466 429248600 /nfs/dbraw/zinc/24/86/00/429248600.db2.gz DNFZJOYSLUIFPC-UHFFFAOYSA-N 1 2 319.311 2.906 20 30 DFEDLO Cc1cc(N2CCC(OC[C@H]3CCCCO3)CC2)c(C#N)c[nH+]1 ZINC000425224562 429248776 /nfs/dbraw/zinc/24/87/76/429248776.db2.gz DTTQEMWKHHGLAM-QGZVFWFLSA-N 1 2 315.417 2.816 20 30 DFEDLO C=CC[C@@H]1[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CCCC1(C)C ZINC000444777990 429276423 /nfs/dbraw/zinc/27/64/23/429276423.db2.gz UVYWKSVAXDDQOS-AWEZNQCLSA-N 1 2 300.406 2.589 20 30 DFEDLO C=CC[C@@H]1[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CCCC1(C)C ZINC000444777990 429276424 /nfs/dbraw/zinc/27/64/24/429276424.db2.gz UVYWKSVAXDDQOS-AWEZNQCLSA-N 1 2 300.406 2.589 20 30 DFEDLO C=CC[C@H]1[N@@H+](Cc2nnnn2CC(F)(F)F)CCCC1(C)C ZINC000444784388 429277442 /nfs/dbraw/zinc/27/74/42/429277442.db2.gz VLDOUSJYLYDDNN-LLVKDONJSA-N 1 2 317.359 2.802 20 30 DFEDLO C=CC[C@H]1[N@H+](Cc2nnnn2CC(F)(F)F)CCCC1(C)C ZINC000444784388 429277445 /nfs/dbraw/zinc/27/74/45/429277445.db2.gz VLDOUSJYLYDDNN-LLVKDONJSA-N 1 2 317.359 2.802 20 30 DFEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)c1 ZINC000444736677 429277679 /nfs/dbraw/zinc/27/76/79/429277679.db2.gz AMSJUMGXUGAPBT-UHFFFAOYSA-N 1 2 317.408 2.909 20 30 DFEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)c1 ZINC000444736677 429277683 /nfs/dbraw/zinc/27/76/83/429277683.db2.gz AMSJUMGXUGAPBT-UHFFFAOYSA-N 1 2 317.408 2.909 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000456344268 429282118 /nfs/dbraw/zinc/28/21/18/429282118.db2.gz FQWVTVRPOZFZRY-GOEBONIOSA-N 1 2 310.401 2.853 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543282 429319948 /nfs/dbraw/zinc/31/99/48/429319948.db2.gz OQSCWUVVWVNDHR-ZDUSSCGKSA-N 1 2 324.384 2.864 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(C#N)cc1Cl ZINC000365482017 429325577 /nfs/dbraw/zinc/32/55/77/429325577.db2.gz UDAYKVPOEGWDGH-UHFFFAOYSA-N 1 2 301.781 2.776 20 30 DFEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491127036 429328027 /nfs/dbraw/zinc/32/80/27/429328027.db2.gz VGBIYNJDZVEEAG-CQSZACIVSA-N 1 2 305.740 2.626 20 30 DFEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491127036 429328030 /nfs/dbraw/zinc/32/80/30/429328030.db2.gz VGBIYNJDZVEEAG-CQSZACIVSA-N 1 2 305.740 2.626 20 30 DFEDLO C#C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1F ZINC000491127034 429328538 /nfs/dbraw/zinc/32/85/38/429328538.db2.gz VFYKOMVRPWPCQE-ZDUSSCGKSA-N 1 2 305.740 2.544 20 30 DFEDLO C#C[C@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1F ZINC000491127034 429328541 /nfs/dbraw/zinc/32/85/41/429328541.db2.gz VFYKOMVRPWPCQE-ZDUSSCGKSA-N 1 2 305.740 2.544 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000491288808 429344741 /nfs/dbraw/zinc/34/47/41/429344741.db2.gz VDSVNLANYARVHA-CQSZACIVSA-N 1 2 324.428 2.690 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000491288808 429344746 /nfs/dbraw/zinc/34/47/46/429344746.db2.gz VDSVNLANYARVHA-CQSZACIVSA-N 1 2 324.428 2.690 20 30 DFEDLO C=C[C@H](CC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000365581556 429345478 /nfs/dbraw/zinc/34/54/78/429345478.db2.gz PAZPVFBOUXLXFV-HZPDHXFCSA-N 1 2 309.413 2.922 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456395281 429298771 /nfs/dbraw/zinc/29/87/71/429298771.db2.gz SKRPAFYLXIRYBV-FZMZJTMJSA-N 1 2 312.398 2.669 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490712286 429303071 /nfs/dbraw/zinc/30/30/71/429303071.db2.gz DMFPXOFQAWCTDG-NSHDSACASA-N 1 2 305.328 2.541 20 30 DFEDLO CCCC1(C=[NH+]n2ccnn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000496028509 429303942 /nfs/dbraw/zinc/30/39/42/429303942.db2.gz SKLFXIXIIAYLTQ-UHFFFAOYSA-N 1 2 321.425 2.929 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841666 429306744 /nfs/dbraw/zinc/30/67/44/429306744.db2.gz YMKVRDNGEWGYOI-IGCXYCKISA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841666 429306748 /nfs/dbraw/zinc/30/67/48/429306748.db2.gz YMKVRDNGEWGYOI-IGCXYCKISA-N 1 2 320.820 2.980 20 30 DFEDLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000496366087 429313559 /nfs/dbraw/zinc/31/35/59/429313559.db2.gz QKXBKQQUTGPDNA-ZDUSSCGKSA-N 1 2 316.405 2.707 20 30 DFEDLO C#C[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000491724576 429397072 /nfs/dbraw/zinc/39/70/72/429397072.db2.gz FXQOVAPUIMDPCN-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO C#C[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000491724576 429397073 /nfs/dbraw/zinc/39/70/73/429397073.db2.gz FXQOVAPUIMDPCN-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO C#CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000491753809 429403784 /nfs/dbraw/zinc/40/37/84/429403784.db2.gz PVZFLHNUODDYDB-UHFFFAOYSA-N 1 2 304.397 2.982 20 30 DFEDLO C#CC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000491753809 429403788 /nfs/dbraw/zinc/40/37/88/429403788.db2.gz PVZFLHNUODDYDB-UHFFFAOYSA-N 1 2 304.397 2.982 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491773103 429405959 /nfs/dbraw/zinc/40/59/59/429405959.db2.gz BQYVYNHYHSYAHW-HUUCEWRRSA-N 1 2 315.417 2.565 20 30 DFEDLO C#C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491785949 429408444 /nfs/dbraw/zinc/40/84/44/429408444.db2.gz SZCGYMVKGHHYRC-CYBMUJFWSA-N 1 2 301.777 2.831 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365679160 429358953 /nfs/dbraw/zinc/35/89/53/429358953.db2.gz LAFZNWQVVGDTMW-JQHSSLGASA-N 1 2 313.445 2.919 20 30 DFEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365679160 429358955 /nfs/dbraw/zinc/35/89/55/429358955.db2.gz LAFZNWQVVGDTMW-JQHSSLGASA-N 1 2 313.445 2.919 20 30 DFEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366000925 429410004 /nfs/dbraw/zinc/41/00/04/429410004.db2.gz NSDUCBULLJLQAK-GFCCVEGCSA-N 1 2 313.332 2.619 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000491454583 429362654 /nfs/dbraw/zinc/36/26/54/429362654.db2.gz ZWWIZYXFMYKQJT-CJNGLKHVSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000491474091 429364804 /nfs/dbraw/zinc/36/48/04/429364804.db2.gz JXYSNYPWKUCXEE-QGZVFWFLSA-N 1 2 324.428 2.575 20 30 DFEDLO C#CCN(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491486411 429366181 /nfs/dbraw/zinc/36/61/81/429366181.db2.gz VZRMGVSDSAYXNQ-UHFFFAOYSA-N 1 2 306.369 2.699 20 30 DFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)C(C)C ZINC000491495348 429366414 /nfs/dbraw/zinc/36/64/14/429366414.db2.gz IOYCLNROCIUYMO-MRXNPFEDSA-N 1 2 321.424 2.610 20 30 DFEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)C(C)C ZINC000491495348 429366419 /nfs/dbraw/zinc/36/64/19/429366419.db2.gz IOYCLNROCIUYMO-MRXNPFEDSA-N 1 2 321.424 2.610 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456975246 429372301 /nfs/dbraw/zinc/37/23/01/429372301.db2.gz YOMOVGJGNUQPKD-DLBZAZTESA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456975246 429372306 /nfs/dbraw/zinc/37/23/06/429372306.db2.gz YOMOVGJGNUQPKD-DLBZAZTESA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456975247 429372840 /nfs/dbraw/zinc/37/28/40/429372840.db2.gz YOMOVGJGNUQPKD-IAGOWNOFSA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456975247 429372844 /nfs/dbraw/zinc/37/28/44/429372844.db2.gz YOMOVGJGNUQPKD-IAGOWNOFSA-N 1 2 315.417 2.695 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000514995431 429373512 /nfs/dbraw/zinc/37/35/12/429373512.db2.gz NXHGOPGQBRQTNG-KCJUWKMLSA-N 1 2 316.752 2.631 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nnn1CC ZINC000449318414 429386625 /nfs/dbraw/zinc/38/66/25/429386625.db2.gz DCGRFDGAZDDERU-UHFFFAOYSA-N 1 2 316.453 2.962 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nnn1CC ZINC000449318414 429386628 /nfs/dbraw/zinc/38/66/28/429386628.db2.gz DCGRFDGAZDDERU-UHFFFAOYSA-N 1 2 316.453 2.962 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000519161792 429449360 /nfs/dbraw/zinc/44/93/60/429449360.db2.gz NXSPRIFYAVFRCV-IBGZPJMESA-N 1 2 324.428 2.574 20 30 DFEDLO N#Cc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000492054851 429458962 /nfs/dbraw/zinc/45/89/62/429458962.db2.gz ASHZOWMIDPTLEB-WAYWQWQTSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000492054851 429458966 /nfs/dbraw/zinc/45/89/66/429458966.db2.gz ASHZOWMIDPTLEB-WAYWQWQTSA-N 1 2 306.369 2.701 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491814139 429413902 /nfs/dbraw/zinc/41/39/02/429413902.db2.gz IYIPDMORRQZFRH-ZUZCIYMTSA-N 1 2 319.767 2.872 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491814139 429413905 /nfs/dbraw/zinc/41/39/05/429413905.db2.gz IYIPDMORRQZFRH-ZUZCIYMTSA-N 1 2 319.767 2.872 20 30 DFEDLO N#CCOc1ccc(/C=C\C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000491940674 429438122 /nfs/dbraw/zinc/43/81/22/429438122.db2.gz QZPGHVZJBDCYDX-TWGQIWQCSA-N 1 2 318.336 2.889 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000492137967 429474937 /nfs/dbraw/zinc/47/49/37/429474937.db2.gz KMQFOTGNLJXYCZ-VMPITWQZSA-N 1 2 307.353 2.620 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000520000358 429499731 /nfs/dbraw/zinc/49/97/31/429499731.db2.gz VTKDDNHJOYSQMI-GOEBONIOSA-N 1 2 313.401 2.607 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026156 429561432 /nfs/dbraw/zinc/56/14/32/429561432.db2.gz KCCOBNQMHYOPTK-QZTJIDSGSA-N 1 2 317.408 2.612 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026156 429561435 /nfs/dbraw/zinc/56/14/35/429561435.db2.gz KCCOBNQMHYOPTK-QZTJIDSGSA-N 1 2 317.408 2.612 20 30 DFEDLO CCCCCCCS(=O)(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000367036966 429564132 /nfs/dbraw/zinc/56/41/32/429564132.db2.gz QGGXWMQRDBFUHM-AWEZNQCLSA-N 1 2 313.467 2.650 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000492413675 429532050 /nfs/dbraw/zinc/53/20/50/429532050.db2.gz YKDWFYOEPIGOTE-VJIACCKLSA-N 1 2 322.412 2.947 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000492413677 429532889 /nfs/dbraw/zinc/53/28/89/429532889.db2.gz YKDWFYOEPIGOTE-ZBTAVZRMSA-N 1 2 322.412 2.947 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292297284 335087534 /nfs/dbraw/zinc/08/75/34/335087534.db2.gz CVXGPVGYDQYLDN-KBPBESRZSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292297284 335087535 /nfs/dbraw/zinc/08/75/35/335087535.db2.gz CVXGPVGYDQYLDN-KBPBESRZSA-N 1 2 320.458 2.748 20 30 DFEDLO C[C@@]12CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000459494124 429698906 /nfs/dbraw/zinc/69/89/06/429698906.db2.gz QMTAZMVKMFDBMC-UONOGXRCSA-N 1 2 307.300 2.944 20 30 DFEDLO C[C@@]12CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000459494124 429698909 /nfs/dbraw/zinc/69/89/09/429698909.db2.gz QMTAZMVKMFDBMC-UONOGXRCSA-N 1 2 307.300 2.944 20 30 DFEDLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498903 429699137 /nfs/dbraw/zinc/69/91/37/429699137.db2.gz AFBLFSADPSFXIP-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498903 429699142 /nfs/dbraw/zinc/69/91/42/429699142.db2.gz AFBLFSADPSFXIP-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)ccc1F ZINC000367660949 429694000 /nfs/dbraw/zinc/69/40/00/429694000.db2.gz OJVVVIXSVSVYCY-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO COC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000459586495 429700748 /nfs/dbraw/zinc/70/07/48/429700748.db2.gz UDKZMSIRWIMHKW-UHFFFAOYSA-N 1 2 308.381 2.968 20 30 DFEDLO COC(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000475399586 429716411 /nfs/dbraw/zinc/71/64/11/429716411.db2.gz JCVMWVVRTLHLJH-HIFRSBDPSA-N 1 2 305.805 2.823 20 30 DFEDLO COC(=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000475399586 429716414 /nfs/dbraw/zinc/71/64/14/429716414.db2.gz JCVMWVVRTLHLJH-HIFRSBDPSA-N 1 2 305.805 2.823 20 30 DFEDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000431143123 429746516 /nfs/dbraw/zinc/74/65/16/429746516.db2.gz YZJJJNZYPDINDJ-MRXNPFEDSA-N 1 2 320.458 2.698 20 30 DFEDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000431143123 429746519 /nfs/dbraw/zinc/74/65/19/429746519.db2.gz YZJJJNZYPDINDJ-MRXNPFEDSA-N 1 2 320.458 2.698 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493233617 429718102 /nfs/dbraw/zinc/71/81/02/429718102.db2.gz CFTJIHXCDOWRHL-PIZKADEWSA-N 1 2 324.384 2.696 20 30 DFEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127764 429726418 /nfs/dbraw/zinc/72/64/18/429726418.db2.gz KUJQSABQEDHPIL-QWHCGFSZSA-N 1 2 315.392 2.696 20 30 DFEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127764 429726421 /nfs/dbraw/zinc/72/64/21/429726421.db2.gz KUJQSABQEDHPIL-QWHCGFSZSA-N 1 2 315.392 2.696 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccc2ccccc12 ZINC000493306538 429733506 /nfs/dbraw/zinc/73/35/06/429733506.db2.gz RZYRYFALRLTIAY-YAINUAMHSA-N 1 2 307.397 2.813 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C\c2cccc(C#N)c2)CC1(C)C ZINC000493493738 429774429 /nfs/dbraw/zinc/77/44/29/429774429.db2.gz UBRHHGXOABFZQQ-QWPQOLDESA-N 1 2 320.396 2.915 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccn1 ZINC000451369479 429817850 /nfs/dbraw/zinc/81/78/50/429817850.db2.gz BAEKTNAZWVOBSX-INIZCTEOSA-N 1 2 322.412 2.849 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000451369479 429817855 /nfs/dbraw/zinc/81/78/55/429817855.db2.gz BAEKTNAZWVOBSX-INIZCTEOSA-N 1 2 322.412 2.849 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC(C3CC3)CC2)c(C#N)c1C ZINC000368325747 429831797 /nfs/dbraw/zinc/83/17/97/429831797.db2.gz ATHYCVUFBAEXEH-UHFFFAOYSA-N 1 2 301.390 2.829 20 30 DFEDLO C=C(Br)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000368466741 429854202 /nfs/dbraw/zinc/85/42/02/429854202.db2.gz OKBFYLSNXNRFMW-UHFFFAOYSA-N 1 2 315.255 2.762 20 30 DFEDLO C=C(Br)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000368466741 429854205 /nfs/dbraw/zinc/85/42/05/429854205.db2.gz OKBFYLSNXNRFMW-UHFFFAOYSA-N 1 2 315.255 2.762 20 30 DFEDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)C(C)C ZINC000451581579 429857531 /nfs/dbraw/zinc/85/75/31/429857531.db2.gz CYPHXNBUYQGZBK-INIZCTEOSA-N 1 2 304.390 2.503 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000369283117 429922236 /nfs/dbraw/zinc/92/22/36/429922236.db2.gz LYMZOTJQRMGTBJ-CQSZACIVSA-N 1 2 318.380 2.989 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000369283117 429922237 /nfs/dbraw/zinc/92/22/37/429922237.db2.gz LYMZOTJQRMGTBJ-CQSZACIVSA-N 1 2 318.380 2.989 20 30 DFEDLO CC(C)c1ccc(SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000574330367 430031886 /nfs/dbraw/zinc/03/18/86/430031886.db2.gz SMMWHENGXCABFS-KRWDZBQOSA-N 1 2 319.474 2.862 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000637323974 430024497 /nfs/dbraw/zinc/02/44/97/430024497.db2.gz NZLCVBMSAVLNFW-CQSZACIVSA-N 1 2 304.438 2.689 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000576923805 430108344 /nfs/dbraw/zinc/10/83/44/430108344.db2.gz AFWSSZPDPAZTDV-SJORKVTESA-N 1 2 324.428 2.685 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000575069622 430054581 /nfs/dbraw/zinc/05/45/81/430054581.db2.gz CSRZVZAJRSCDBW-JTQLQIEISA-N 1 2 306.366 2.656 20 30 DFEDLO Cc1[nH+]cc(CNc2n[nH]c(C3CC3)c2C#N)n1-c1ccccc1 ZINC000561251774 430082554 /nfs/dbraw/zinc/08/25/54/430082554.db2.gz UTQPEMUHPKGENS-UHFFFAOYSA-N 1 2 318.384 3.265 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000533280305 430158521 /nfs/dbraw/zinc/15/85/21/430158521.db2.gz MMNBZXCRFPSYQA-UHFFFAOYSA-N 1 2 324.808 2.948 20 30 DFEDLO C=C(C)CN(CC)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000537574914 430172832 /nfs/dbraw/zinc/17/28/32/430172832.db2.gz XVGHPYLZIZYYID-UHFFFAOYSA-N 1 2 319.430 2.518 20 30 DFEDLO CC#CC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000537859769 430172886 /nfs/dbraw/zinc/17/28/86/430172886.db2.gz MLOUSJNHZLYTIJ-UHFFFAOYSA-N 1 2 305.809 2.821 20 30 DFEDLO CN(C)c1ccc(CNc2ccc3cc(C#N)ccc3n2)c[nH+]1 ZINC000540077079 430180071 /nfs/dbraw/zinc/18/00/71/430180071.db2.gz LJMDOVQEDAOMLV-UHFFFAOYSA-N 1 2 303.369 3.180 20 30 DFEDLO C=CC[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1 ZINC000637930162 430175304 /nfs/dbraw/zinc/17/53/04/430175304.db2.gz UMCNXHRJJMWDQD-QGZVFWFLSA-N 1 2 312.417 2.503 20 30 DFEDLO C=CC[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1 ZINC000637930162 430175308 /nfs/dbraw/zinc/17/53/08/430175308.db2.gz UMCNXHRJJMWDQD-QGZVFWFLSA-N 1 2 312.417 2.503 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000562323108 430120529 /nfs/dbraw/zinc/12/05/29/430120529.db2.gz PIXUTSTYKDJNDT-ZDUSSCGKSA-N 1 2 300.189 2.567 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000580650367 430142650 /nfs/dbraw/zinc/14/26/50/430142650.db2.gz POHAOAYEXKQVGZ-KRWDZBQOSA-N 1 2 322.412 2.756 20 30 DFEDLO C[C@@H](C#N)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000531543298 430144557 /nfs/dbraw/zinc/14/45/57/430144557.db2.gz MOXHBYMXVZWEJB-RYUDHWBXSA-N 1 2 321.450 2.656 20 30 DFEDLO C[C@@H](C#N)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000531543298 430144560 /nfs/dbraw/zinc/14/45/60/430144560.db2.gz MOXHBYMXVZWEJB-RYUDHWBXSA-N 1 2 321.450 2.656 20 30 DFEDLO COc1coc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1=O ZINC000531870175 430149042 /nfs/dbraw/zinc/14/90/42/430149042.db2.gz YSBOBUGUZGWJBN-SJORKVTESA-N 1 2 324.380 2.920 20 30 DFEDLO COc1coc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1=O ZINC000531870175 430149047 /nfs/dbraw/zinc/14/90/47/430149047.db2.gz YSBOBUGUZGWJBN-SJORKVTESA-N 1 2 324.380 2.920 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000563382288 430185723 /nfs/dbraw/zinc/18/57/23/430185723.db2.gz DZZIGUHGZMTBQI-QMTHXVAHSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000563382288 430185727 /nfs/dbraw/zinc/18/57/27/430185727.db2.gz DZZIGUHGZMTBQI-QMTHXVAHSA-N 1 2 302.765 2.623 20 30 DFEDLO CC1(C#N)CN(C(=O)CCn2c3ccccc3[nH+]c2C2CC2)C1 ZINC000564528640 430196047 /nfs/dbraw/zinc/19/60/47/430196047.db2.gz IRFCGKKXQRVTBA-UHFFFAOYSA-N 1 2 308.385 2.676 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000581447806 430210601 /nfs/dbraw/zinc/21/06/01/430210601.db2.gz GXRJCYUPSSDYKA-UHFFFAOYSA-N 1 2 323.381 2.596 20 30 DFEDLO CC(C)(NC(=O)CSCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000566364674 430256347 /nfs/dbraw/zinc/25/63/47/430256347.db2.gz ZKNNVEHCLYHFSA-UHFFFAOYSA-N 1 2 314.414 2.566 20 30 DFEDLO CC(C)(C#N)CC[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000567008371 430275636 /nfs/dbraw/zinc/27/56/36/430275636.db2.gz RGVLOAOXYPDCGA-HXUWFJFHSA-N 1 2 307.341 2.634 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(F)c(Cl)c2)nn1 ZINC000640991916 430296891 /nfs/dbraw/zinc/29/68/91/430296891.db2.gz XXYVZDAVAJRQBN-NSHDSACASA-N 1 2 306.772 2.793 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000583151529 430368491 /nfs/dbraw/zinc/36/84/91/430368491.db2.gz ABAJEORDTDPZIY-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000583151529 430368496 /nfs/dbraw/zinc/36/84/96/430368496.db2.gz ABAJEORDTDPZIY-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO CCSCc1cc[nH+]c(NCc2cnc3c(C#N)cnn3c2)c1 ZINC000569245310 430434959 /nfs/dbraw/zinc/43/49/59/430434959.db2.gz GIBLZLJHKYUDIN-UHFFFAOYSA-N 1 2 324.413 2.861 20 30 DFEDLO C=CC(C)(C)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641625012 430430591 /nfs/dbraw/zinc/43/05/91/430430591.db2.gz NNBLVSIWGRQJFW-UHFFFAOYSA-N 1 2 322.474 2.555 20 30 DFEDLO C=CC(C)(C)CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641625012 430430595 /nfs/dbraw/zinc/43/05/95/430430595.db2.gz NNBLVSIWGRQJFW-UHFFFAOYSA-N 1 2 322.474 2.555 20 30 DFEDLO CCCCNc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(N)[nH+]1 ZINC000587988971 430482625 /nfs/dbraw/zinc/48/26/25/430482625.db2.gz SMMALTMUFKIGKI-LBPRGKRZSA-N 1 2 310.405 2.737 20 30 DFEDLO CCCCNc1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c(N)n1 ZINC000587988971 430482629 /nfs/dbraw/zinc/48/26/29/430482629.db2.gz SMMALTMUFKIGKI-LBPRGKRZSA-N 1 2 310.405 2.737 20 30 DFEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000569931846 430498045 /nfs/dbraw/zinc/49/80/45/430498045.db2.gz NPLZRAAHKAEFJS-SNVBAGLBSA-N 1 2 300.387 2.895 20 30 DFEDLO CC[C@@H](C)c1ccccc1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570141919 430517354 /nfs/dbraw/zinc/51/73/54/430517354.db2.gz ONYMAWXBRXTJEO-RDTXWAMCSA-N 1 2 317.433 2.539 20 30 DFEDLO C=C[C@@H](CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000570166410 430519921 /nfs/dbraw/zinc/51/99/21/430519921.db2.gz OTTVCZFIONZZFZ-ZFWWWQNUSA-N 1 2 308.372 2.707 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1C#N ZINC000599256134 430528360 /nfs/dbraw/zinc/52/83/60/430528360.db2.gz TXNUICQLSZANCS-UHFFFAOYSA-N 1 2 319.408 2.825 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccccc1 ZINC000639122032 430531867 /nfs/dbraw/zinc/53/18/67/430531867.db2.gz XXZDYTYKRXLDTC-UHFFFAOYSA-N 1 2 320.414 2.505 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccccc1 ZINC000639122032 430531870 /nfs/dbraw/zinc/53/18/70/430531870.db2.gz XXZDYTYKRXLDTC-UHFFFAOYSA-N 1 2 320.414 2.505 20 30 DFEDLO Cc1ccccc1-n1cc(CNc2cc(CC#N)cc[nH+]2)nn1 ZINC000571192197 430612234 /nfs/dbraw/zinc/61/22/34/430612234.db2.gz FIBISYLFYXUGLU-UHFFFAOYSA-N 1 2 304.357 2.649 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000639365564 430621587 /nfs/dbraw/zinc/62/15/87/430621587.db2.gz DURAFNOEWMNJER-ZWKOTPCHSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000639365564 430621588 /nfs/dbraw/zinc/62/15/88/430621588.db2.gz DURAFNOEWMNJER-ZWKOTPCHSA-N 1 2 312.417 2.552 20 30 DFEDLO FC(F)(F)C1C[NH+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000571392713 430624467 /nfs/dbraw/zinc/62/44/67/430624467.db2.gz SNVPWVGRSUCLNK-UHFFFAOYSA-N 1 2 301.177 2.695 20 30 DFEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)c2cc(C#N)cs2)c1 ZINC000572102013 430671157 /nfs/dbraw/zinc/67/11/57/430671157.db2.gz HEKZDYNEPVMLJN-UHFFFAOYSA-N 1 2 323.381 2.893 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)nn1 ZINC000657745213 430723073 /nfs/dbraw/zinc/72/30/73/430723073.db2.gz HGPLXOFMLQDIQR-ROUUACIJSA-N 1 2 314.433 2.702 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000661509137 430741870 /nfs/dbraw/zinc/74/18/70/430741870.db2.gz STZQEMVLZKATAM-MJEQTWJJSA-N 1 2 313.401 2.888 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000661506092 430742398 /nfs/dbraw/zinc/74/23/98/430742398.db2.gz FESGECZXUWWGSH-DUVNUKRYSA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000661570727 430761655 /nfs/dbraw/zinc/76/16/55/430761655.db2.gz KDQKFQNCANFPOO-UHFFFAOYSA-N 1 2 316.449 2.906 20 30 DFEDLO C=CCCC1(C(=O)NCC2CC[NH+](CC(F)F)CC2)CC1 ZINC000655084234 430889241 /nfs/dbraw/zinc/88/92/41/430889241.db2.gz UIAUGCBVSYMCJZ-UHFFFAOYSA-N 1 2 300.393 2.826 20 30 DFEDLO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccn1 ZINC000665161154 430840976 /nfs/dbraw/zinc/84/09/76/430840976.db2.gz YHNXMDWDZCRCKY-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)ccn1 ZINC000665161154 430840982 /nfs/dbraw/zinc/84/09/82/430840982.db2.gz YHNXMDWDZCRCKY-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665393402 430920429 /nfs/dbraw/zinc/92/04/29/430920429.db2.gz WHOSMNZGMLLVIL-UONOGXRCSA-N 1 2 302.422 2.623 20 30 DFEDLO CC#CC[C@H](CO)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000645407048 430992055 /nfs/dbraw/zinc/99/20/55/430992055.db2.gz IVYHIZCTHBAQRB-CYBMUJFWSA-N 1 2 308.303 3.440 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000665666978 430997547 /nfs/dbraw/zinc/99/75/47/430997547.db2.gz GWSVGKGIQULXRC-IRXDYDNUSA-N 1 2 309.413 2.749 20 30 DFEDLO FC1(F)C[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN2C1 ZINC000645937750 431122822 /nfs/dbraw/zinc/12/28/22/431122822.db2.gz WZRORZKIJGBRSA-HNNXBMFYSA-N 1 2 310.775 2.717 20 30 DFEDLO FC1(F)C[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN2C1 ZINC000645937750 431122825 /nfs/dbraw/zinc/12/28/25/431122825.db2.gz WZRORZKIJGBRSA-HNNXBMFYSA-N 1 2 310.775 2.717 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215493 431324320 /nfs/dbraw/zinc/32/43/20/431324320.db2.gz KOKAJVGQLYEQIR-HOTGVXAUSA-N 1 2 323.481 2.531 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000660327239 431383465 /nfs/dbraw/zinc/38/34/65/431383465.db2.gz AYPJXZKYXBTABF-GASCZTMLSA-N 1 2 300.406 2.540 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccc(C)cc2)nn1 ZINC000653484555 431398496 /nfs/dbraw/zinc/39/84/96/431398496.db2.gz TVJILKAJPSXBOQ-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccc(C)cc2)nn1 ZINC000653484555 431398500 /nfs/dbraw/zinc/39/85/00/431398500.db2.gz TVJILKAJPSXBOQ-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)nn1 ZINC000653582923 431447223 /nfs/dbraw/zinc/44/72/23/431447223.db2.gz DIAKSXRQRNWOEA-UHFFFAOYSA-N 1 2 305.451 2.952 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)nn1 ZINC000653585375 431448151 /nfs/dbraw/zinc/44/81/51/431448151.db2.gz NXVQVVMUNTUGLD-KSSFIOAISA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)nn1 ZINC000653585375 431448157 /nfs/dbraw/zinc/44/81/57/431448157.db2.gz NXVQVVMUNTUGLD-KSSFIOAISA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)nn1 ZINC000653599500 431454030 /nfs/dbraw/zinc/45/40/30/431454030.db2.gz QHUPAAZTYAOIDW-ZDUSSCGKSA-N 1 2 313.405 2.663 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(c3ncc(C)s3)CC2)nn1 ZINC000653643419 431472903 /nfs/dbraw/zinc/47/29/03/431472903.db2.gz QUTJAESCPVXIGD-UHFFFAOYSA-N 1 2 317.462 2.999 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000660687595 431550809 /nfs/dbraw/zinc/55/08/09/431550809.db2.gz ARBWQINEMLSWQZ-OAHLLOKOSA-N 1 2 302.422 2.881 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000354112496 280399499 /nfs/dbraw/zinc/39/94/99/280399499.db2.gz YSINNAMBSUXSRH-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000354112496 280399501 /nfs/dbraw/zinc/39/95/01/280399501.db2.gz YSINNAMBSUXSRH-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043670 431710592 /nfs/dbraw/zinc/71/05/92/431710592.db2.gz CUTWZBFWMZFRGE-KFWWJZLASA-N 1 2 302.422 2.632 20 30 DFEDLO C=CC[N@H+](Cc1ncc(Br)s1)[C@@H](C)COC ZINC000661238973 431789378 /nfs/dbraw/zinc/78/93/78/431789378.db2.gz BAHZUWHCMLYOJD-VIFPVBQESA-N 1 2 305.241 2.929 20 30 DFEDLO C=CC[N@@H+](Cc1ncc(Br)s1)[C@@H](C)COC ZINC000661238973 431789381 /nfs/dbraw/zinc/78/93/81/431789381.db2.gz BAHZUWHCMLYOJD-VIFPVBQESA-N 1 2 305.241 2.929 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)[C@@H](C)COC ZINC000661241337 431789854 /nfs/dbraw/zinc/78/98/54/431789854.db2.gz WAIUGUGYTPUIJF-LBPRGKRZSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)[C@@H](C)COC ZINC000661241337 431789857 /nfs/dbraw/zinc/78/98/57/431789857.db2.gz WAIUGUGYTPUIJF-LBPRGKRZSA-N 1 2 305.353 2.899 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@H](C)COC ZINC000661246552 431794930 /nfs/dbraw/zinc/79/49/30/431794930.db2.gz IGWYSKBHVFEWJT-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@H](C)COC ZINC000661246552 431794935 /nfs/dbraw/zinc/79/49/35/431794935.db2.gz IGWYSKBHVFEWJT-CYBMUJFWSA-N 1 2 317.389 2.768 20 30 DFEDLO Cc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000366900789 280764131 /nfs/dbraw/zinc/76/41/31/280764131.db2.gz NKVXXFRZTPQDBN-UHFFFAOYSA-N 1 2 320.396 2.614 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664589618 431824514 /nfs/dbraw/zinc/82/45/14/431824514.db2.gz LCNCLJAKHCJZHM-KBPBESRZSA-N 1 2 322.453 2.524 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664589622 431824944 /nfs/dbraw/zinc/82/49/44/431824944.db2.gz LCNCLJAKHCJZHM-ZIAGYGMSSA-N 1 2 322.453 2.524 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)ccc1OC)CC(C)C ZINC000156372938 295335120 /nfs/dbraw/zinc/33/51/20/295335120.db2.gz LGMXLYKUFUBGJE-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)ccc1OC)CC(C)C ZINC000156372938 295335123 /nfs/dbraw/zinc/33/51/23/295335123.db2.gz LGMXLYKUFUBGJE-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000538781852 301331892 /nfs/dbraw/zinc/33/18/92/301331892.db2.gz AXDQYJOSCYAYHR-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000538781852 301331893 /nfs/dbraw/zinc/33/18/93/301331893.db2.gz AXDQYJOSCYAYHR-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO CCC[N@H+](CCOc1ccccc1C#N)CC(=O)OC(C)(C)C ZINC000541718291 301394957 /nfs/dbraw/zinc/39/49/57/301394957.db2.gz HFSYTDIFWPEGBO-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO CCC[N@@H+](CCOc1ccccc1C#N)CC(=O)OC(C)(C)C ZINC000541718291 301394960 /nfs/dbraw/zinc/39/49/60/301394960.db2.gz HFSYTDIFWPEGBO-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543191 301432332 /nfs/dbraw/zinc/43/23/32/301432332.db2.gz AQBKLTQWBOYUPF-KRWDZBQOSA-N 1 2 316.401 2.649 20 30 DFEDLO N#Cc1cnn2cc(C[NH2+]Cc3c(F)cccc3Cl)cnc12 ZINC000556213812 301789266 /nfs/dbraw/zinc/78/92/66/301789266.db2.gz IJGXWFMCORMNHR-UHFFFAOYSA-N 1 2 315.739 2.683 20 30 DFEDLO Cn1c2ccc(CNc3nccc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000563423319 302071101 /nfs/dbraw/zinc/07/11/01/302071101.db2.gz DYPZQTYYMCOZMU-UHFFFAOYSA-N 1 2 304.357 2.724 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000563519351 302079557 /nfs/dbraw/zinc/07/95/57/302079557.db2.gz SKGPTIKEYBVKCN-RDJZCZTQSA-N 1 2 320.396 2.511 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000565596589 302232106 /nfs/dbraw/zinc/23/21/06/302232106.db2.gz IAWCJINJLXLFLT-GXTWGEPZSA-N 1 2 319.405 2.594 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000565596589 302232109 /nfs/dbraw/zinc/23/21/09/302232109.db2.gz IAWCJINJLXLFLT-GXTWGEPZSA-N 1 2 319.405 2.594 20 30 DFEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(Cl)c(C#N)c2)[nH+]1 ZINC000566626069 302300850 /nfs/dbraw/zinc/30/08/50/302300850.db2.gz WTCAMYMECYGJPY-UHFFFAOYSA-N 1 2 302.765 2.908 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000568994133 302489525 /nfs/dbraw/zinc/48/95/25/302489525.db2.gz YQSHLLGGWJHPEW-NHYWBVRUSA-N 1 2 324.359 2.748 20 30 DFEDLO N#Cc1c2c(cnc1NCc1[nH+]ccn1CC(F)(F)F)CCC2 ZINC000570711926 302589189 /nfs/dbraw/zinc/58/91/89/302589189.db2.gz VWEGUCAKXMUUGD-UHFFFAOYSA-N 1 2 321.306 2.813 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])cc2C#N)CC1(C)C ZINC000295751295 303001187 /nfs/dbraw/zinc/00/11/87/303001187.db2.gz ASCJVJICUBYXDI-AWEZNQCLSA-N 1 2 311.345 2.787 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnnn1-c1ccccc1 ZINC000174061741 315960426 /nfs/dbraw/zinc/96/04/26/315960426.db2.gz USMXWHGNHJBGIQ-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)n1 ZINC000184220149 316162769 /nfs/dbraw/zinc/16/27/69/316162769.db2.gz BFARTSYFJQOVJW-VIFPVBQESA-N 1 2 306.416 2.674 20 30 DFEDLO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(C)o1 ZINC000184742489 316173720 /nfs/dbraw/zinc/17/37/20/316173720.db2.gz PQQWXCKENUROGJ-OAHLLOKOSA-N 1 2 300.358 2.946 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCc1c[nH+]cn1C ZINC000551945751 317863330 /nfs/dbraw/zinc/86/33/30/317863330.db2.gz XDXDHWQLJXMBOU-UHFFFAOYSA-N 1 2 324.409 2.787 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)nc1 ZINC000574864034 318045465 /nfs/dbraw/zinc/04/54/65/318045465.db2.gz DGTOGSRHHZQZCF-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)nc1 ZINC000574864034 318045468 /nfs/dbraw/zinc/04/54/68/318045468.db2.gz DGTOGSRHHZQZCF-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO C[C@H]1CCN(c2ncc3c(c2C#N)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000575384258 318075408 /nfs/dbraw/zinc/07/54/08/318075408.db2.gz PEFZVKFOBGXHKI-SUMWQHHRSA-N 1 2 307.401 2.726 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000580164323 318379768 /nfs/dbraw/zinc/37/97/68/318379768.db2.gz DMXJSHTWSIAIPX-DOMZBBRYSA-N 1 2 321.384 2.749 20 30 DFEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nccs2)C2CC2)cc1 ZINC000194961236 323275673 /nfs/dbraw/zinc/27/56/73/323275673.db2.gz BUHOGXPMBJSQBZ-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nccs2)C2CC2)cc1 ZINC000194961236 323275675 /nfs/dbraw/zinc/27/56/75/323275675.db2.gz BUHOGXPMBJSQBZ-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO C=CCSCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255293930 331729583 /nfs/dbraw/zinc/72/95/83/331729583.db2.gz MYCBNDUTEKJRAH-YVMONPNESA-N 1 2 313.426 2.921 20 30 DFEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C)c(C)s2)cc1 ZINC000088512170 332053497 /nfs/dbraw/zinc/05/34/97/332053497.db2.gz LERRRVCBWUWPII-UHFFFAOYSA-N 1 2 305.403 2.800 20 30 DFEDLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000569490376 332101939 /nfs/dbraw/zinc/10/19/39/332101939.db2.gz ZPIOVPLHPNZDJD-HNAYVOBHSA-N 1 2 315.461 2.949 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000569501824 332108976 /nfs/dbraw/zinc/10/89/76/332108976.db2.gz PIONHHIQEJPVSM-KRWDZBQOSA-N 1 2 301.434 2.751 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC000427077092 332166316 /nfs/dbraw/zinc/16/63/16/332166316.db2.gz LOAZSXQHXXSSDK-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC000427077092 332166319 /nfs/dbraw/zinc/16/63/19/332166319.db2.gz LOAZSXQHXXSSDK-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000151384552 332202530 /nfs/dbraw/zinc/20/25/30/332202530.db2.gz QJEFSWIWYWLBLE-CYBMUJFWSA-N 1 2 308.385 2.885 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479263 332239359 /nfs/dbraw/zinc/23/93/59/332239359.db2.gz YPUOYNAPTNTKGJ-ZDUSSCGKSA-N 1 2 300.337 2.969 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479263 332239360 /nfs/dbraw/zinc/23/93/60/332239360.db2.gz YPUOYNAPTNTKGJ-ZDUSSCGKSA-N 1 2 300.337 2.969 20 30 DFEDLO C=CC[N@H+](Cc1cn2cccnc2n1)Cc1cccc([N+](=O)[O-])c1 ZINC000119639062 332259491 /nfs/dbraw/zinc/25/94/91/332259491.db2.gz FHPVXWFZHUEIRK-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO C=CC[N@@H+](Cc1cn2cccnc2n1)Cc1cccc([N+](=O)[O-])c1 ZINC000119639062 332259492 /nfs/dbraw/zinc/25/94/92/332259492.db2.gz FHPVXWFZHUEIRK-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000559610143 332273900 /nfs/dbraw/zinc/27/39/00/332273900.db2.gz SOLGTKASYZZLAT-INIZCTEOSA-N 1 2 315.392 2.600 20 30 DFEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000559610143 332273901 /nfs/dbraw/zinc/27/39/01/332273901.db2.gz SOLGTKASYZZLAT-INIZCTEOSA-N 1 2 315.392 2.600 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000292939886 335098148 /nfs/dbraw/zinc/09/81/48/335098148.db2.gz FVLGSYLWSBHFFO-UHFFFAOYSA-N 1 2 305.422 2.538 20 30 DFEDLO C=CCC(F)(F)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000292958651 335098373 /nfs/dbraw/zinc/09/83/73/335098373.db2.gz CQJIXLJKOFDUMU-UHFFFAOYSA-N 1 2 305.328 2.759 20 30 DFEDLO CN(Cc1ccccc1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812577 332284044 /nfs/dbraw/zinc/28/40/44/332284044.db2.gz DYNUQQXKQYBFEC-UHFFFAOYSA-N 1 2 301.434 2.907 20 30 DFEDLO CN(Cc1ccccc1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812577 332284045 /nfs/dbraw/zinc/28/40/45/332284045.db2.gz DYNUQQXKQYBFEC-UHFFFAOYSA-N 1 2 301.434 2.907 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000293104229 335100181 /nfs/dbraw/zinc/10/01/81/335100181.db2.gz LFNQCGCZPQIBMO-MRXNPFEDSA-N 1 2 324.428 2.771 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000293104229 335100183 /nfs/dbraw/zinc/10/01/83/335100183.db2.gz LFNQCGCZPQIBMO-MRXNPFEDSA-N 1 2 324.428 2.771 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293049161 335102097 /nfs/dbraw/zinc/10/20/97/335102097.db2.gz HROHDWRYELWTAQ-NSHDSACASA-N 1 2 300.318 2.661 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293049161 335102098 /nfs/dbraw/zinc/10/20/98/335102098.db2.gz HROHDWRYELWTAQ-NSHDSACASA-N 1 2 300.318 2.661 20 30 DFEDLO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000293818468 335117466 /nfs/dbraw/zinc/11/74/66/335117466.db2.gz FRCLJLMTTQDWJV-UAGQMJEPSA-N 1 2 305.418 2.814 20 30 DFEDLO NC(=NO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000314082871 333086129 /nfs/dbraw/zinc/08/61/29/333086129.db2.gz GPKJEOFGPQHTMH-LBPRGKRZSA-N 1 2 301.312 2.806 20 30 DFEDLO NC(=NO)[C@@H]1CCCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000314082871 333086131 /nfs/dbraw/zinc/08/61/31/333086131.db2.gz GPKJEOFGPQHTMH-LBPRGKRZSA-N 1 2 301.312 2.806 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000584331379 333118757 /nfs/dbraw/zinc/11/87/57/333118757.db2.gz ATSPVKGDHOSKAJ-LJQANCHMSA-N 1 2 322.412 2.935 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000294389785 335121863 /nfs/dbraw/zinc/12/18/63/335121863.db2.gz BYPLHONCVJDZGF-ZDUSSCGKSA-N 1 2 310.419 2.659 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000294389785 335121864 /nfs/dbraw/zinc/12/18/64/335121864.db2.gz BYPLHONCVJDZGF-ZDUSSCGKSA-N 1 2 310.419 2.659 20 30 DFEDLO CC(C)(C#N)CCCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000178160058 333135604 /nfs/dbraw/zinc/13/56/04/333135604.db2.gz GDPBKOREDGDZEV-UHFFFAOYSA-N 1 2 305.403 2.579 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000178279047 333136846 /nfs/dbraw/zinc/13/68/46/333136846.db2.gz KQYNEDUMFNDXMK-INIZCTEOSA-N 1 2 322.412 2.581 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCSCC1 ZINC000179155358 333146983 /nfs/dbraw/zinc/14/69/83/333146983.db2.gz KNBJWKZJTYYTPS-CYBMUJFWSA-N 1 2 317.458 2.864 20 30 DFEDLO O=C1C[C@@H](C/[NH+]=C/c2ccccc2O)CN1Cc1ccccc1 ZINC000179366463 333149786 /nfs/dbraw/zinc/14/97/86/333149786.db2.gz XNJSODUWGKKZCK-DORSJAEJSA-N 1 2 308.381 2.860 20 30 DFEDLO COC(=O)C1(C/[NH+]=C/c2cccc(OC)c2O)CCCCC1 ZINC000181281277 333168610 /nfs/dbraw/zinc/16/86/10/333168610.db2.gz CZLIESHUYDSZMW-WOJGMQOQSA-N 1 2 305.374 2.943 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000491801088 333213149 /nfs/dbraw/zinc/21/31/49/333213149.db2.gz BVWIBKANKUZLLS-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000491801088 333213150 /nfs/dbraw/zinc/21/31/50/333213150.db2.gz BVWIBKANKUZLLS-NSHDSACASA-N 1 2 309.207 2.650 20 30 DFEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@@H+]1CCCOCC1 ZINC000187741948 333237224 /nfs/dbraw/zinc/23/72/24/333237224.db2.gz NTKWYDKPDFXGIL-LICLKQGHSA-N 1 2 317.216 2.840 20 30 DFEDLO Oc1c(Cl)cc(Cl)cc1/C=N/CC[N@H+]1CCCOCC1 ZINC000187741948 333237225 /nfs/dbraw/zinc/23/72/25/333237225.db2.gz NTKWYDKPDFXGIL-LICLKQGHSA-N 1 2 317.216 2.840 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000188681301 333250510 /nfs/dbraw/zinc/25/05/10/333250510.db2.gz FLQCZLVGPPVWHV-UHFFFAOYSA-N 1 2 312.373 2.674 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000497622842 333271082 /nfs/dbraw/zinc/27/10/82/333271082.db2.gz MJVUYWJGRFMFER-CYBMUJFWSA-N 1 2 304.438 2.713 20 30 DFEDLO COCCN(C)c1ccc(CNc2ccc(CC#N)cc2)c[nH+]1 ZINC000190815265 333274623 /nfs/dbraw/zinc/27/46/23/333274623.db2.gz SHJRBOSWRNQESQ-UHFFFAOYSA-N 1 2 310.401 2.842 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1)C1CC1 ZINC000192239821 333286483 /nfs/dbraw/zinc/28/64/83/333286483.db2.gz ABDIWHOGBCDHKT-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1)C1CC1 ZINC000192239821 333286485 /nfs/dbraw/zinc/28/64/85/333286485.db2.gz ABDIWHOGBCDHKT-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242699 333286648 /nfs/dbraw/zinc/28/66/48/333286648.db2.gz RIBCTLBYSUYYEU-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242699 333286649 /nfs/dbraw/zinc/28/66/49/333286649.db2.gz RIBCTLBYSUYYEU-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO CC#CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000364888332 333332752 /nfs/dbraw/zinc/33/27/52/333332752.db2.gz DZHJFHXMNBVTRR-UHFFFAOYSA-N 1 2 306.369 2.747 20 30 DFEDLO C#CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCCCC1 ZINC000365039102 333334838 /nfs/dbraw/zinc/33/48/38/333334838.db2.gz YOOYLZOHCZNAPC-UHFFFAOYSA-N 1 2 322.412 2.857 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000365521898 333409369 /nfs/dbraw/zinc/40/93/69/333409369.db2.gz LNGJWFJAYODGHG-CQSZACIVSA-N 1 2 300.406 2.600 20 30 DFEDLO CC#CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000296655187 335145485 /nfs/dbraw/zinc/14/54/85/335145485.db2.gz UFQKAUYURDQEQB-CYBMUJFWSA-N 1 2 320.462 2.862 20 30 DFEDLO CC#CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000296655187 335145487 /nfs/dbraw/zinc/14/54/87/335145487.db2.gz UFQKAUYURDQEQB-CYBMUJFWSA-N 1 2 320.462 2.862 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000296851382 335146708 /nfs/dbraw/zinc/14/67/08/335146708.db2.gz UGRIKEIRRHSVKC-CABCVRRESA-N 1 2 315.417 2.746 20 30 DFEDLO Cc1ccc(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s2)o1 ZINC000521442444 333651241 /nfs/dbraw/zinc/65/12/41/333651241.db2.gz FELDYIQSKMGAKA-INIZCTEOSA-N 1 2 317.414 2.890 20 30 DFEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000264436304 333956844 /nfs/dbraw/zinc/95/68/44/333956844.db2.gz XKCAKKUGRTXDQJ-UHFFFAOYSA-N 1 2 313.405 2.753 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000265145234 333963750 /nfs/dbraw/zinc/96/37/50/333963750.db2.gz OWPFRZSZHVKBMZ-JMPAWAFNSA-N 1 2 318.417 2.857 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000353386709 333992878 /nfs/dbraw/zinc/99/28/78/333992878.db2.gz JFTNQOVQHUXPTA-UHFFFAOYSA-N 1 2 311.476 2.758 20 30 DFEDLO CCCCCCCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000270107060 334007673 /nfs/dbraw/zinc/00/76/73/334007673.db2.gz LYMLADDKCWCHLJ-UHFFFAOYSA-N 1 2 307.394 2.505 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(CC#N)cc2)n1 ZINC000343538221 335170435 /nfs/dbraw/zinc/17/04/35/335170435.db2.gz SYXGXMYTJGBCMP-CYBMUJFWSA-N 1 2 314.389 2.865 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(CC#N)cc2)n1 ZINC000343538221 335170436 /nfs/dbraw/zinc/17/04/36/335170436.db2.gz SYXGXMYTJGBCMP-CYBMUJFWSA-N 1 2 314.389 2.865 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271133736 334018915 /nfs/dbraw/zinc/01/89/15/334018915.db2.gz QCWCSCKVNWGERL-GFCCVEGCSA-N 1 2 313.361 2.587 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271133736 334018917 /nfs/dbraw/zinc/01/89/17/334018917.db2.gz QCWCSCKVNWGERL-GFCCVEGCSA-N 1 2 313.361 2.587 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000272617530 334038089 /nfs/dbraw/zinc/03/80/89/334038089.db2.gz UEJUWGYBIIKKAO-SFHVURJKSA-N 1 2 311.429 2.880 20 30 DFEDLO Cc1cnc([C@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)s1 ZINC000273181467 334044140 /nfs/dbraw/zinc/04/41/40/334044140.db2.gz HBSJCDNPIQRDAS-UHDDOIDHSA-N 1 2 305.403 2.575 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000280038428 334113783 /nfs/dbraw/zinc/11/37/83/334113783.db2.gz QMHPEZAQYUZLES-UHFFFAOYSA-N 1 2 308.385 2.725 20 30 DFEDLO CNC(=O)COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000280180135 334114656 /nfs/dbraw/zinc/11/46/56/334114656.db2.gz GRKYHUPPHMWERE-ZIAGYGMSSA-N 1 2 301.390 2.614 20 30 DFEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)cn1 ZINC000280488994 334117904 /nfs/dbraw/zinc/11/79/04/334117904.db2.gz MAMUAZGATMFFKG-QWRGUYRKSA-N 1 2 307.195 2.938 20 30 DFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000280584899 334118619 /nfs/dbraw/zinc/11/86/19/334118619.db2.gz WGPFAHNCQKRPCY-QGZVFWFLSA-N 1 2 317.458 2.649 20 30 DFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000280584899 334118620 /nfs/dbraw/zinc/11/86/20/334118620.db2.gz WGPFAHNCQKRPCY-QGZVFWFLSA-N 1 2 317.458 2.649 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281134619 334123342 /nfs/dbraw/zinc/12/33/42/334123342.db2.gz AAFKXZCPVXHRFD-MRXNPFEDSA-N 1 2 316.401 2.591 20 30 DFEDLO N#CC1(CCCO[NH+]=C(N)c2ccc(F)c(F)c2)CCOCC1 ZINC000281323594 334124868 /nfs/dbraw/zinc/12/48/68/334124868.db2.gz LKNUATGGGIRQMD-UHFFFAOYSA-N 1 2 323.343 2.702 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCCCC#N ZINC000281605058 334127444 /nfs/dbraw/zinc/12/74/44/334127444.db2.gz KFHQCTLFYBJIJX-AWEZNQCLSA-N 1 2 303.410 2.833 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(NCC2CCC(C#N)CC2)[nH+]1 ZINC000281759377 334128389 /nfs/dbraw/zinc/12/83/89/334128389.db2.gz YOCVLJNXQWZNFC-UHFFFAOYSA-N 1 2 302.426 2.803 20 30 DFEDLO CC(C)c1nc(NCC2CCC(C#N)CC2)nc(N(C)C)[nH+]1 ZINC000281759377 334128392 /nfs/dbraw/zinc/12/83/92/334128392.db2.gz YOCVLJNXQWZNFC-UHFFFAOYSA-N 1 2 302.426 2.803 20 30 DFEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000282306610 334133547 /nfs/dbraw/zinc/13/35/47/334133547.db2.gz RZCPRCRMHKMJPP-UHFFFAOYSA-N 1 2 321.812 2.718 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000283342154 334140055 /nfs/dbraw/zinc/14/00/55/334140055.db2.gz ZRFPCGVGGSCESR-MRXNPFEDSA-N 1 2 319.412 2.800 20 30 DFEDLO CC(C)(C)OC(=O)c1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000283924604 334141802 /nfs/dbraw/zinc/14/18/02/334141802.db2.gz DYDICVDBTQTLKL-AWEZNQCLSA-N 1 2 320.389 2.610 20 30 DFEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283977258 334141978 /nfs/dbraw/zinc/14/19/78/334141978.db2.gz GNXAIVCFSNDPNQ-CQSZACIVSA-N 1 2 319.405 2.525 20 30 DFEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283932360 334142010 /nfs/dbraw/zinc/14/20/10/334142010.db2.gz FDNRDGWBINWHIC-CQSZACIVSA-N 1 2 301.346 2.618 20 30 DFEDLO NC(=[NH+]OCc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000284010192 334142135 /nfs/dbraw/zinc/14/21/35/334142135.db2.gz HPVFKEHKKJZKEO-GFCCVEGCSA-N 1 2 318.295 2.596 20 30 DFEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)[C@H]3CCCO3)o2)cc1 ZINC000283992843 334142204 /nfs/dbraw/zinc/14/22/04/334142204.db2.gz HAAGDPNSSIFMER-CYBMUJFWSA-N 1 2 301.346 2.618 20 30 DFEDLO NC(=[NH+]OCc1cc(Cl)cc2cccnc21)[C@@H]1CCCO1 ZINC000284440394 334143528 /nfs/dbraw/zinc/14/35/28/334143528.db2.gz PIDKHEPOEAZEOG-ZDUSSCGKSA-N 1 2 305.765 2.856 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000284986294 334145176 /nfs/dbraw/zinc/14/51/76/334145176.db2.gz MKPYANPUTDUBCE-QGZVFWFLSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000285021387 334145220 /nfs/dbraw/zinc/14/52/20/334145220.db2.gz HMDPPLNEOOOUHU-MRXNPFEDSA-N 1 2 300.337 2.567 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000285244470 334146406 /nfs/dbraw/zinc/14/64/06/334146406.db2.gz WGXTWRWJYBIYMX-GOSISDBHSA-N 1 2 314.433 2.874 20 30 DFEDLO CCCCCCC[C@H](C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285916904 334150783 /nfs/dbraw/zinc/15/07/83/334150783.db2.gz LJKGVSGICXOVTD-ZFWWWQNUSA-N 1 2 320.437 2.869 20 30 DFEDLO CCCCCCC[C@H](C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285916904 334150785 /nfs/dbraw/zinc/15/07/85/334150785.db2.gz LJKGVSGICXOVTD-ZFWWWQNUSA-N 1 2 320.437 2.869 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000292294304 334186491 /nfs/dbraw/zinc/18/64/91/334186491.db2.gz ULSCWOSLPSRWSM-UHFFFAOYSA-N 1 2 312.369 2.882 20 30 DFEDLO C=CC[N@H+](CCC#N)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000292294304 334186493 /nfs/dbraw/zinc/18/64/93/334186493.db2.gz ULSCWOSLPSRWSM-UHFFFAOYSA-N 1 2 312.369 2.882 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551091 334189136 /nfs/dbraw/zinc/18/91/36/334189136.db2.gz YPCXJMBZWAFCOO-ONIAQPFYSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551091 334189138 /nfs/dbraw/zinc/18/91/38/334189138.db2.gz YPCXJMBZWAFCOO-ONIAQPFYSA-N 1 2 313.445 2.919 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292728527 334191439 /nfs/dbraw/zinc/19/14/39/334191439.db2.gz GCKYDPDUXXOHHH-ZBFHGGJFSA-N 1 2 312.442 2.948 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)s1 ZINC000292728527 334191441 /nfs/dbraw/zinc/19/14/41/334191441.db2.gz GCKYDPDUXXOHHH-ZBFHGGJFSA-N 1 2 312.442 2.948 20 30 DFEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]1 ZINC000292782878 334192262 /nfs/dbraw/zinc/19/22/62/334192262.db2.gz LMUZCPDYUQNNGO-ZBFHGGJFSA-N 1 2 309.369 2.540 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]1 ZINC000292782878 334192264 /nfs/dbraw/zinc/19/22/64/334192264.db2.gz LMUZCPDYUQNNGO-ZBFHGGJFSA-N 1 2 309.369 2.540 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294806108 334213397 /nfs/dbraw/zinc/21/33/97/334213397.db2.gz LRGKNGNSHFJKJO-CQSZACIVSA-N 1 2 311.385 2.963 20 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/nfs/dbraw/zinc/25/71/80/334257180.db2.gz OQHQMGBMWHSCFM-ZIAGYGMSSA-N 1 2 301.394 2.816 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000299669730 334257182 /nfs/dbraw/zinc/25/71/82/334257182.db2.gz OQHQMGBMWHSCFM-ZIAGYGMSSA-N 1 2 301.394 2.816 20 30 DFEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000121271342 334343630 /nfs/dbraw/zinc/34/36/30/334343630.db2.gz BEWLLVWZQZHECA-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000121271342 334343632 /nfs/dbraw/zinc/34/36/32/334343632.db2.gz BEWLLVWZQZHECA-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO C=CC[C@@H](CC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443221367 338447926 /nfs/dbraw/zinc/44/79/26/338447926.db2.gz CFKQEEDSKATGKF-OAHLLOKOSA-N 1 2 319.430 2.564 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000341986244 334503189 /nfs/dbraw/zinc/50/31/89/334503189.db2.gz YLGOGICBKSYIRG-UHFFFAOYSA-N 1 2 324.222 2.596 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C1CCC1 ZINC000328609707 334744578 /nfs/dbraw/zinc/74/45/78/334744578.db2.gz NABWDHFJCRLDHH-LSDHHAIUSA-N 1 2 302.422 2.939 20 30 DFEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC000328661530 334746455 /nfs/dbraw/zinc/74/64/55/334746455.db2.gz WTNDDAADBMIVOI-ZDUSSCGKSA-N 1 2 315.421 2.739 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000328757930 334752356 /nfs/dbraw/zinc/75/23/56/334752356.db2.gz VKUBNNLCWHBBNF-ZDUSSCGKSA-N 1 2 321.421 2.748 20 30 DFEDLO CC1(C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CCCO[C@H]21 ZINC000328961002 334770379 /nfs/dbraw/zinc/77/03/79/334770379.db2.gz PUWIJBXKGOAELR-FAAHXZRKSA-N 1 2 303.406 2.606 20 30 DFEDLO C[C@@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331225134 334842661 /nfs/dbraw/zinc/84/26/61/334842661.db2.gz MLSYOKABDUKINR-NXEZZACHSA-N 1 2 304.316 2.638 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C#N)C(C)C)Cc1ccccc1Cl ZINC000343651640 335185031 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/nfs/dbraw/zinc/01/48/66/336014866.db2.gz RSFAVJNYNYNKLA-LSDHHAIUSA-N 1 2 310.401 2.671 20 30 DFEDLO CNC(=O)Cc1nc(C[N@@H+]2CCCc3occc3C2)cs1 ZINC000329654691 336028939 /nfs/dbraw/zinc/02/89/39/336028939.db2.gz LYFQVRZNEQGYGO-UHFFFAOYSA-N 1 2 305.403 2.813 20 30 DFEDLO CNC(=O)Cc1nc(C[N@H+]2CCCc3occc3C2)cs1 ZINC000329654691 336028940 /nfs/dbraw/zinc/02/89/40/336028940.db2.gz LYFQVRZNEQGYGO-UHFFFAOYSA-N 1 2 305.403 2.813 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329676188 336037414 /nfs/dbraw/zinc/03/74/14/336037414.db2.gz VZXOUWMQGMYIRA-STQMWFEESA-N 1 2 308.451 2.550 20 30 DFEDLO CC#CCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000351490255 336037987 /nfs/dbraw/zinc/03/79/87/336037987.db2.gz FRUJGSGEVHTAKN-CABCVRRESA-N 1 2 322.449 2.970 20 30 DFEDLO CC#CCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000351490255 336037988 /nfs/dbraw/zinc/03/79/88/336037988.db2.gz FRUJGSGEVHTAKN-CABCVRRESA-N 1 2 322.449 2.970 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329684712 336044154 /nfs/dbraw/zinc/04/41/54/336044154.db2.gz UHUHSRCLTSBGHZ-IUODEOHRSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329684712 336044155 /nfs/dbraw/zinc/04/41/55/336044155.db2.gz UHUHSRCLTSBGHZ-IUODEOHRSA-N 1 2 323.437 2.689 20 30 DFEDLO Cc1c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nnn1C ZINC000329701841 336060268 /nfs/dbraw/zinc/06/02/68/336060268.db2.gz HPGVQVDKZOOESB-UHFFFAOYSA-N 1 2 324.388 2.836 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000351772913 336068322 /nfs/dbraw/zinc/06/83/22/336068322.db2.gz AOXVSSHHSKFVNA-YVEFUNNKSA-N 1 2 302.422 2.551 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCc2ccccc21 ZINC000329751969 336078188 /nfs/dbraw/zinc/07/81/88/336078188.db2.gz VZJSVIRUKNZQPW-CXAGYDPISA-N 1 2 310.401 2.800 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCc2ccccc21 ZINC000329751969 336078189 /nfs/dbraw/zinc/07/81/89/336078189.db2.gz VZJSVIRUKNZQPW-CXAGYDPISA-N 1 2 310.401 2.800 20 30 DFEDLO Cc1csc([C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C2CC2)n1 ZINC000329810258 336084829 /nfs/dbraw/zinc/08/48/29/336084829.db2.gz QOXNAIXZIXPKQT-ZDUSSCGKSA-N 1 2 317.418 2.529 20 30 DFEDLO O=C(NC[C@@H]1CCCc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329851414 336089384 /nfs/dbraw/zinc/08/93/84/336089384.db2.gz QTEYULBYBRBECW-HNNXBMFYSA-N 1 2 310.401 2.733 20 30 DFEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCn2cc[nH+]c2C1 ZINC000329852587 336089585 /nfs/dbraw/zinc/08/95/85/336089585.db2.gz RNYSRFRARAUWIE-SOUVJXGZSA-N 1 2 302.422 2.972 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)CCO2 ZINC000329902805 336093897 /nfs/dbraw/zinc/09/38/97/336093897.db2.gz HXHPAUWDLXSLHS-RIUYPTKQSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)CCO2 ZINC000329902805 336093899 /nfs/dbraw/zinc/09/38/99/336093899.db2.gz HXHPAUWDLXSLHS-RIUYPTKQSA-N 1 2 324.465 2.647 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336121844 /nfs/dbraw/zinc/12/18/44/336121844.db2.gz JKBNGXGBISKXHA-YPMHNXCESA-N 1 2 316.430 2.841 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000330191887 336122609 /nfs/dbraw/zinc/12/26/09/336122609.db2.gz NJARBJVYRULXBV-UNEWFSDZSA-N 1 2 310.401 2.805 20 30 DFEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CCn3cc[nH+]c3C1)CCC2 ZINC000330204808 336124082 /nfs/dbraw/zinc/12/40/82/336124082.db2.gz BYDBLIDDVDWUAL-MRXNPFEDSA-N 1 2 310.401 2.999 20 30 DFEDLO CCOC1(C)CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000330220318 336125831 /nfs/dbraw/zinc/12/58/31/336125831.db2.gz QDCWYRKKJHPWGV-AWEZNQCLSA-N 1 2 320.437 2.566 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCCOCC1 ZINC000330243365 336129225 /nfs/dbraw/zinc/12/92/25/336129225.db2.gz CQQXJHHVKGSCHP-GJZGRUSLSA-N 1 2 320.437 2.913 20 30 DFEDLO O=C(NC[C@@H]1CCC(F)(F)C1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330279455 336133003 /nfs/dbraw/zinc/13/30/03/336133003.db2.gz RBIUCQLRYCOZGI-VXGBXAGGSA-N 1 2 312.364 2.700 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)CCO1 ZINC000330282147 336133370 /nfs/dbraw/zinc/13/33/70/336133370.db2.gz AKJANKOWJVSOKA-JSGCOSHPSA-N 1 2 305.403 2.901 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000331542123 336139693 /nfs/dbraw/zinc/13/96/93/336139693.db2.gz NCNYKMPLWFLYDC-AWEZNQCLSA-N 1 2 315.421 2.631 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000331542123 336139694 /nfs/dbraw/zinc/13/96/94/336139694.db2.gz NCNYKMPLWFLYDC-AWEZNQCLSA-N 1 2 315.421 2.631 20 30 DFEDLO N#CCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000331687149 336144499 /nfs/dbraw/zinc/14/44/99/336144499.db2.gz RRYOWMSJTZHARW-CQSZACIVSA-N 1 2 304.394 2.794 20 30 DFEDLO N#CCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000331687149 336144500 /nfs/dbraw/zinc/14/45/00/336144500.db2.gz RRYOWMSJTZHARW-CQSZACIVSA-N 1 2 304.394 2.794 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332240231 336164366 /nfs/dbraw/zinc/16/43/66/336164366.db2.gz IQRJOGMOTVRAAD-AWEZNQCLSA-N 1 2 315.373 2.524 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332240231 336164367 /nfs/dbraw/zinc/16/43/67/336164367.db2.gz IQRJOGMOTVRAAD-AWEZNQCLSA-N 1 2 315.373 2.524 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ncc(C)o1 ZINC000330353855 336176383 /nfs/dbraw/zinc/17/63/83/336176383.db2.gz OXSPGLMYIULEBJ-GFCCVEGCSA-N 1 2 303.366 2.972 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000352180394 336199588 /nfs/dbraw/zinc/19/95/88/336199588.db2.gz MNJUPJGPEBUYFD-SJLPKXTDSA-N 1 2 322.412 2.997 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000333560110 336205506 /nfs/dbraw/zinc/20/55/06/336205506.db2.gz GXDYQINVNGYJOR-VBNZEHGJSA-N 1 2 301.365 2.603 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000333681519 336208111 /nfs/dbraw/zinc/20/81/11/336208111.db2.gz ZXVDIBMBPQDIRJ-NWANDNLSSA-N 1 2 301.365 2.603 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000352450770 336219778 /nfs/dbraw/zinc/21/97/78/336219778.db2.gz SVLKIXKITCDFNX-UHFFFAOYSA-N 1 2 317.286 2.850 20 30 DFEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352462547 336220608 /nfs/dbraw/zinc/22/06/08/336220608.db2.gz DGUHKBOBZPXFEI-CQSZACIVSA-N 1 2 307.413 2.709 20 30 DFEDLO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352483265 336221343 /nfs/dbraw/zinc/22/13/43/336221343.db2.gz HXSFHHHTXXHNRW-GJZGRUSLSA-N 1 2 317.408 2.622 20 30 DFEDLO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352483263 336221400 /nfs/dbraw/zinc/22/14/00/336221400.db2.gz HXSFHHHTXXHNRW-CABCVRRESA-N 1 2 317.408 2.622 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000352484527 336221503 /nfs/dbraw/zinc/22/15/03/336221503.db2.gz QOFPUPXZWXRFSO-LBPRGKRZSA-N 1 2 323.799 2.672 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(CC)CC ZINC000352801320 336239299 /nfs/dbraw/zinc/23/92/99/336239299.db2.gz SIJVTEGXWSSHMH-AWEZNQCLSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(CC)CC ZINC000352801320 336239300 /nfs/dbraw/zinc/23/93/00/336239300.db2.gz SIJVTEGXWSSHMH-AWEZNQCLSA-N 1 2 322.449 2.843 20 30 DFEDLO CC1CC(C#N)(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000532319034 336239464 /nfs/dbraw/zinc/23/94/64/336239464.db2.gz VAALQDOLKICWNB-UHFFFAOYSA-N 1 2 312.348 2.567 20 30 DFEDLO CC(C)(C)c1cc(N2CCN(CC#N)CC2)nc(C(C)(C)C)[nH+]1 ZINC000301743386 336327126 /nfs/dbraw/zinc/32/71/26/336327126.db2.gz VUHCPNFRJGQPCW-UHFFFAOYSA-N 1 2 315.465 2.717 20 30 DFEDLO C=CCNC(=O)CNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000302032454 336344315 /nfs/dbraw/zinc/34/43/15/336344315.db2.gz KPLFFRIDIYGKFP-UHFFFAOYSA-N 1 2 304.438 2.786 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C(=O)OC)C1CC1 ZINC000352920855 336377236 /nfs/dbraw/zinc/37/72/36/336377236.db2.gz BVJWGGHQMPULRG-MRXNPFEDSA-N 1 2 305.422 2.794 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C(=O)OC)C1CC1 ZINC000352920855 336377237 /nfs/dbraw/zinc/37/72/37/336377237.db2.gz BVJWGGHQMPULRG-MRXNPFEDSA-N 1 2 305.422 2.794 20 30 DFEDLO N#CC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000352957699 336379324 /nfs/dbraw/zinc/37/93/24/336379324.db2.gz PSYLLAXJCBYFRM-UHFFFAOYSA-N 1 2 319.771 2.795 20 30 DFEDLO C=C(C)COc1cc(CN2CCn3cc[nH+]c3C2)ccc1OC ZINC000353002495 336381637 /nfs/dbraw/zinc/38/16/37/336381637.db2.gz JCQLRRUWCDYLNY-UHFFFAOYSA-N 1 2 313.401 2.862 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC000361110847 336739016 /nfs/dbraw/zinc/73/90/16/336739016.db2.gz IBGUXMJNTXISOV-WFASDCNBSA-N 1 2 311.809 2.605 20 30 DFEDLO C=CCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367898131 336831906 /nfs/dbraw/zinc/83/19/06/336831906.db2.gz XCGJPTYVPZQPMN-DLBZAZTESA-N 1 2 323.481 2.628 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)c1 ZINC000368517950 336846497 /nfs/dbraw/zinc/84/64/97/336846497.db2.gz FVTZRDPFVQHVBH-HXUWFJFHSA-N 1 2 320.392 2.846 20 30 DFEDLO CC(C)c1nc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)no1 ZINC000369277417 336861619 /nfs/dbraw/zinc/86/16/19/336861619.db2.gz FFYPSWVEAOSMJZ-ZDUSSCGKSA-N 1 2 301.394 2.816 20 30 DFEDLO C=C(Cl)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000369486805 336865822 /nfs/dbraw/zinc/86/58/22/336865822.db2.gz UJPULFGQXVNMKV-CYBMUJFWSA-N 1 2 322.771 2.700 20 30 DFEDLO C[C@@H](CC#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369848126 336873106 /nfs/dbraw/zinc/87/31/06/336873106.db2.gz SBALWLFXLZKTKF-DZGCQCFKSA-N 1 2 308.385 2.531 20 30 DFEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc1 ZINC000370294604 336881964 /nfs/dbraw/zinc/88/19/64/336881964.db2.gz QOFXWFOFBOLSAL-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000418137767 336897270 /nfs/dbraw/zinc/89/72/70/336897270.db2.gz FGMRPFBRQYBTFD-UHFFFAOYSA-N 1 2 311.288 2.980 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000375581466 337013812 /nfs/dbraw/zinc/01/38/12/337013812.db2.gz BMCQSKXZOVBLPV-CQSZACIVSA-N 1 2 313.467 2.510 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000376172463 337028907 /nfs/dbraw/zinc/02/89/07/337028907.db2.gz MWEUEDRXNVMNMQ-CVEARBPZSA-N 1 2 307.397 2.580 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000376172463 337028908 /nfs/dbraw/zinc/02/89/08/337028908.db2.gz MWEUEDRXNVMNMQ-CVEARBPZSA-N 1 2 307.397 2.580 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000376412582 337032915 /nfs/dbraw/zinc/03/29/15/337032915.db2.gz ILEXPFYYYCBMAY-OAHLLOKOSA-N 1 2 320.437 2.588 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000376919344 337043652 /nfs/dbraw/zinc/04/36/52/337043652.db2.gz RDEXQCAKZRWNGB-QGZVFWFLSA-N 1 2 322.412 2.606 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000377006247 337045077 /nfs/dbraw/zinc/04/50/77/337045077.db2.gz PXDIMPHXRUEACI-CABCVRRESA-N 1 2 317.437 2.806 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378070239 337065923 /nfs/dbraw/zinc/06/59/23/337065923.db2.gz DFDIRMBTMOIGJK-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378070239 337065924 /nfs/dbraw/zinc/06/59/24/337065924.db2.gz DFDIRMBTMOIGJK-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO N#CCSCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378277717 337069274 /nfs/dbraw/zinc/06/92/74/337069274.db2.gz PIKCFFPSOLTXTD-UHFFFAOYSA-N 1 2 324.409 2.797 20 30 DFEDLO NC(=O)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000177165068 337154166 /nfs/dbraw/zinc/15/41/66/337154166.db2.gz XTJJACDOBZDRRN-UHFFFAOYSA-N 1 2 312.800 2.679 20 30 DFEDLO NC(=O)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000177165068 337154167 /nfs/dbraw/zinc/15/41/67/337154167.db2.gz XTJJACDOBZDRRN-UHFFFAOYSA-N 1 2 312.800 2.679 20 30 DFEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000184728425 337200197 /nfs/dbraw/zinc/20/01/97/337200197.db2.gz MCKZLQGVRNYZOK-INIZCTEOSA-N 1 2 317.408 2.937 20 30 DFEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000184728425 337200198 /nfs/dbraw/zinc/20/01/98/337200198.db2.gz MCKZLQGVRNYZOK-INIZCTEOSA-N 1 2 317.408 2.937 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191082127 337293767 /nfs/dbraw/zinc/29/37/67/337293767.db2.gz ZMSMGLLEYXGLFF-GFCCVEGCSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191082127 337293768 /nfs/dbraw/zinc/29/37/68/337293768.db2.gz ZMSMGLLEYXGLFF-GFCCVEGCSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000191117273 337294132 /nfs/dbraw/zinc/29/41/32/337294132.db2.gz SUCBGAPXFYHZEJ-CQSZACIVSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000191117273 337294133 /nfs/dbraw/zinc/29/41/33/337294133.db2.gz SUCBGAPXFYHZEJ-CQSZACIVSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1SC ZINC000191124677 337294299 /nfs/dbraw/zinc/29/42/99/337294299.db2.gz HYOSMNLWKSYDFB-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1SC ZINC000191124677 337294300 /nfs/dbraw/zinc/29/43/00/337294300.db2.gz HYOSMNLWKSYDFB-CYBMUJFWSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191134850 337294355 /nfs/dbraw/zinc/29/43/55/337294355.db2.gz LUIQQSVWWDPUFC-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191134850 337294356 /nfs/dbraw/zinc/29/43/56/337294356.db2.gz LUIQQSVWWDPUFC-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1Cl ZINC000191662789 337298427 /nfs/dbraw/zinc/29/84/27/337298427.db2.gz WNWTUOVVTIMJFZ-UHFFFAOYSA-N 1 2 308.809 2.569 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1Cl ZINC000191662789 337298428 /nfs/dbraw/zinc/29/84/28/337298428.db2.gz WNWTUOVVTIMJFZ-UHFFFAOYSA-N 1 2 308.809 2.569 20 30 DFEDLO CCSCc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000584473178 337345862 /nfs/dbraw/zinc/34/58/62/337345862.db2.gz SJWCCNAAQBLBPS-MRXNPFEDSA-N 1 2 305.447 2.513 20 30 DFEDLO CC1(C#N)CCC(Nc2cccc(CN3CCOCC3)[nH+]2)CC1 ZINC000584510050 337351822 /nfs/dbraw/zinc/35/18/22/337351822.db2.gz RTEGVDSEEPCFGN-UHFFFAOYSA-N 1 2 314.433 2.798 20 30 DFEDLO C=C(C)CCc1noc(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000349781714 337420596 /nfs/dbraw/zinc/42/05/96/337420596.db2.gz YLXVTPLHUBXHEO-UHFFFAOYSA-N 1 2 315.421 2.691 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000424136470 337756120 /nfs/dbraw/zinc/75/61/20/337756120.db2.gz KQINBRUUEOJYNT-QEJZJMRPSA-N 1 2 309.793 2.735 20 30 DFEDLO C=CC[NH+]1CCC(N=c2nc(-c3ccccc3C)[nH]s2)CC1 ZINC000527878574 337771321 /nfs/dbraw/zinc/77/13/21/337771321.db2.gz DQYKHPOBDMSEGR-UHFFFAOYSA-N 1 2 314.458 2.998 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)nn1 ZINC000424291209 337816307 /nfs/dbraw/zinc/81/63/07/337816307.db2.gz DHDSXYPHRXRRKT-NSHDSACASA-N 1 2 303.435 2.650 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)nn1 ZINC000424292727 337816385 /nfs/dbraw/zinc/81/63/85/337816385.db2.gz HEPMDBQMDXQFBL-OAHLLOKOSA-N 1 2 322.416 2.560 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000424718597 337955215 /nfs/dbraw/zinc/95/52/15/337955215.db2.gz XQZMZZDVQCTALR-UHFFFAOYSA-N 1 2 302.418 2.639 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(C(=O)OC)cc1Cl ZINC000428859542 338062946 /nfs/dbraw/zinc/06/29/46/338062946.db2.gz HXCCNBQKHAHIAA-UHFFFAOYSA-N 1 2 322.792 2.907 20 30 DFEDLO C=CC[N@H+](CCC#N)CCOc1ccc(C(=O)OC)cc1Cl ZINC000428859542 338062947 /nfs/dbraw/zinc/06/29/47/338062947.db2.gz HXCCNBQKHAHIAA-UHFFFAOYSA-N 1 2 322.792 2.907 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000433051988 338178670 /nfs/dbraw/zinc/17/86/70/338178670.db2.gz KDTFVUAYWFYGCE-NYHFZMIOSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000433051988 338178671 /nfs/dbraw/zinc/17/86/71/338178671.db2.gz KDTFVUAYWFYGCE-NYHFZMIOSA-N 1 2 320.458 2.712 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000433291370 338189533 /nfs/dbraw/zinc/18/95/33/338189533.db2.gz VUAVURWRIOUSNE-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000433291370 338189534 /nfs/dbraw/zinc/18/95/34/338189534.db2.gz VUAVURWRIOUSNE-AWEZNQCLSA-N 1 2 305.809 2.927 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433319713 338192175 /nfs/dbraw/zinc/19/21/75/338192175.db2.gz JNRLXMPJXNYCJO-HNNXBMFYSA-N 1 2 301.434 2.824 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433319713 338192176 /nfs/dbraw/zinc/19/21/76/338192176.db2.gz JNRLXMPJXNYCJO-HNNXBMFYSA-N 1 2 301.434 2.824 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433496231 338195792 /nfs/dbraw/zinc/19/57/92/338195792.db2.gz DVOCWSCKMLFUBA-LZWOXQAQSA-N 1 2 320.437 2.684 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000435181575 338233949 /nfs/dbraw/zinc/23/39/49/338233949.db2.gz GJTXGVKGHCTOKU-GXTWGEPZSA-N 1 2 301.415 2.725 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000435181575 338233950 /nfs/dbraw/zinc/23/39/50/338233950.db2.gz GJTXGVKGHCTOKU-GXTWGEPZSA-N 1 2 301.415 2.725 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000435600701 338243329 /nfs/dbraw/zinc/24/33/29/338243329.db2.gz FKFGQPOUTFZHBW-IRXDYDNUSA-N 1 2 324.428 2.970 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459851 338387788 /nfs/dbraw/zinc/38/77/88/338387788.db2.gz JTCZVPASVCSBQN-OAHLLOKOSA-N 1 2 318.465 2.845 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459851 338387789 /nfs/dbraw/zinc/38/77/89/338387789.db2.gz JTCZVPASVCSBQN-OAHLLOKOSA-N 1 2 318.465 2.845 20 30 DFEDLO C=CCC1(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CCCCC1 ZINC000449987369 338662011 /nfs/dbraw/zinc/66/20/11/338662011.db2.gz QCMSWIZAAWZEOU-IRXDYDNUSA-N 1 2 320.477 2.692 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000452562056 338771320 /nfs/dbraw/zinc/77/13/20/338771320.db2.gz NEBOAMYBYTYPDN-GJZGRUSLSA-N 1 2 308.385 2.993 20 30 DFEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452753389 338777890 /nfs/dbraw/zinc/77/78/90/338777890.db2.gz JOGBYPKRCNTIIB-HNNXBMFYSA-N 1 2 308.385 2.930 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000454919871 338875818 /nfs/dbraw/zinc/87/58/18/338875818.db2.gz CSIUCOFSKHPQDH-OAHLLOKOSA-N 1 2 320.437 2.636 20 30 DFEDLO C=C(C)CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000455319237 338890350 /nfs/dbraw/zinc/89/03/50/338890350.db2.gz ZQWJTABFBIIHRO-RMKNXTFCSA-N 1 2 313.445 2.993 20 30 DFEDLO C=CCN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455871355 338911974 /nfs/dbraw/zinc/91/19/74/338911974.db2.gz UIARYQAJQAOJOK-UHFFFAOYSA-N 1 2 313.199 2.560 20 30 DFEDLO C=CCn1cccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000488937650 339797429 /nfs/dbraw/zinc/79/74/29/339797429.db2.gz MAAWSKFRANNDNB-UHFFFAOYSA-N 1 2 312.417 2.730 20 30 DFEDLO C=CCn1cccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000488989955 339799317 /nfs/dbraw/zinc/79/93/17/339799317.db2.gz WWFGQVSEDZIXSB-UHFFFAOYSA-N 1 2 313.401 2.967 20 30 DFEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1 ZINC000491181163 339852263 /nfs/dbraw/zinc/85/22/63/339852263.db2.gz QLXAKUWFUDDSQP-HNNXBMFYSA-N 1 2 310.328 2.621 20 30 DFEDLO C#CC[NH+]1CCC(C(=O)OCCCC(=O)c2ccccc2)CC1 ZINC000491690533 339874071 /nfs/dbraw/zinc/87/40/71/339874071.db2.gz CWLJQNLPGSROCL-UHFFFAOYSA-N 1 2 313.397 2.538 20 30 DFEDLO C=CCOc1ccc(CNC(=O)/C=C/c2[nH+]ccn2CC)cc1 ZINC000493371982 339924147 /nfs/dbraw/zinc/92/41/47/339924147.db2.gz RBEQXYBAZZFTSQ-MDZDMXLPSA-N 1 2 311.385 2.797 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CC(C)(C#N)C2)C1 ZINC000496727145 340011371 /nfs/dbraw/zinc/01/13/71/340011371.db2.gz XVOVXGKFCNJWHM-AWEZNQCLSA-N 1 2 307.438 2.869 20 30 DFEDLO C[C@H](CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496795635 340013142 /nfs/dbraw/zinc/01/31/42/340013142.db2.gz MYPDUAGSUBTKFG-CZUORRHYSA-N 1 2 313.417 2.960 20 30 DFEDLO C[C@H](CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496795635 340013143 /nfs/dbraw/zinc/01/31/43/340013143.db2.gz MYPDUAGSUBTKFG-CZUORRHYSA-N 1 2 313.417 2.960 20 30 DFEDLO Cc1cnccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000528439162 340719132 /nfs/dbraw/zinc/71/91/32/340719132.db2.gz LSNJUGZCRRZWFZ-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO C#CC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000131729761 341110340 /nfs/dbraw/zinc/11/03/40/341110340.db2.gz HDNLXSXICCGFSU-UHFFFAOYSA-N 1 2 312.200 2.776 20 30 DFEDLO C#CCOc1cc(F)ccc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000137244048 341273778 /nfs/dbraw/zinc/27/37/78/341273778.db2.gz WKFZDWFIOFRHGZ-BQYQJAHWSA-N 1 2 313.332 2.706 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@H+](CCC#N)CC2CC2)C2CC2)o1 ZINC000081043711 341278736 /nfs/dbraw/zinc/27/87/36/341278736.db2.gz FMQPWTULIRRWHF-UHFFFAOYSA-N 1 2 315.417 2.705 20 30 DFEDLO Cc1ccc(CN(C(=O)C[N@@H+](CCC#N)CC2CC2)C2CC2)o1 ZINC000081043711 341278737 /nfs/dbraw/zinc/27/87/37/341278737.db2.gz FMQPWTULIRRWHF-UHFFFAOYSA-N 1 2 315.417 2.705 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000245778846 341314618 /nfs/dbraw/zinc/31/46/18/341314618.db2.gz LWQNBFBLJUDTOO-GOEBONIOSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000245778846 341314619 /nfs/dbraw/zinc/31/46/19/341314619.db2.gz LWQNBFBLJUDTOO-GOEBONIOSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245810743 341315254 /nfs/dbraw/zinc/31/52/54/341315254.db2.gz QTWSVNKKPJYSDK-HZPDHXFCSA-N 1 2 312.417 2.803 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245810743 341315255 /nfs/dbraw/zinc/31/52/55/341315255.db2.gz QTWSVNKKPJYSDK-HZPDHXFCSA-N 1 2 312.417 2.803 20 30 DFEDLO CCSCc1ccccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577876387 341945733 /nfs/dbraw/zinc/94/57/33/341945733.db2.gz WEPPBRRZQDGIKC-INIZCTEOSA-N 1 2 305.447 2.513 20 30 DFEDLO CCCCNc1cc(N[C@H](CCC#N)c2ccccc2)nc(N)[nH+]1 ZINC000342802031 500657814 /nfs/dbraw/zinc/65/78/14/500657814.db2.gz HOJSLWCRAXYTOF-OAHLLOKOSA-N 1 2 324.432 3.150 20 30 DFEDLO CCCCNc1cc(N[C@H](CCC#N)c2ccccc2)[nH+]c(N)n1 ZINC000342802031 500657819 /nfs/dbraw/zinc/65/78/19/500657819.db2.gz HOJSLWCRAXYTOF-OAHLLOKOSA-N 1 2 324.432 3.150 20 30 DFEDLO Cc1cc(Nc2cnn(-c3ncccc3C#N)c2)c(C#N)c(C)[nH+]1 ZINC000302182648 534006420 /nfs/dbraw/zinc/00/64/20/534006420.db2.gz ZKCCOYDFRFLOCM-UHFFFAOYSA-N 1 2 315.340 2.766 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(C#N)nn4)C3)[nH+]c2c1 ZINC000302050628 534365547 /nfs/dbraw/zinc/36/55/47/534365547.db2.gz NRDFMMSSPLODPP-ZDUSSCGKSA-N 1 2 318.384 2.917 20 30 DFEDLO CC(C)n1cnnc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000292543226 528637620 /nfs/dbraw/zinc/63/76/20/528637620.db2.gz XWOUQGXDMQDSRS-UHFFFAOYSA-N 1 2 313.405 2.632 20 30 DFEDLO CC(C)n1cnnc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000292543226 528637623 /nfs/dbraw/zinc/63/76/23/528637623.db2.gz XWOUQGXDMQDSRS-UHFFFAOYSA-N 1 2 313.405 2.632 20 30 DFEDLO CCN(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000330915481 528983654 /nfs/dbraw/zinc/98/36/54/528983654.db2.gz YXVZPDAGRJMZII-UHFFFAOYSA-N 1 2 314.433 2.526 20 30 DFEDLO C=CCCC(=O)N1CCC[C@@H]([N@H+](CC)Cc2noc(C)n2)CC1 ZINC000681934098 545755037 /nfs/dbraw/zinc/75/50/37/545755037.db2.gz REFDUMMXHMZYCB-OAHLLOKOSA-N 1 2 320.437 2.547 20 30 DFEDLO C=CCCC(=O)N1CCC[C@@H]([N@@H+](CC)Cc2noc(C)n2)CC1 ZINC000681934098 545755041 /nfs/dbraw/zinc/75/50/41/545755041.db2.gz REFDUMMXHMZYCB-OAHLLOKOSA-N 1 2 320.437 2.547 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000683223955 545991929 /nfs/dbraw/zinc/99/19/29/545991929.db2.gz NGHRRYLCTRQSFD-CQSZACIVSA-N 1 2 314.223 2.827 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1cc(OC)ccc1Br ZINC000683223955 545991934 /nfs/dbraw/zinc/99/19/34/545991934.db2.gz NGHRRYLCTRQSFD-CQSZACIVSA-N 1 2 314.223 2.827 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2nnc(C)o2)C1 ZINC000683845002 546106852 /nfs/dbraw/zinc/10/68/52/546106852.db2.gz DYXWMUDVMVEFJX-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2nnc(C)o2)C1 ZINC000683845002 546106854 /nfs/dbraw/zinc/10/68/54/546106854.db2.gz DYXWMUDVMVEFJX-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1F ZINC000278510627 214201974 /nfs/dbraw/zinc/20/19/74/214201974.db2.gz BJLYFYKNIAWUFJ-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO C#CCC(CC#C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000278552357 214232680 /nfs/dbraw/zinc/23/26/80/214232680.db2.gz HDMLQPDRPSTOOM-UHFFFAOYSA-N 1 2 315.442 2.730 20 30 DFEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC000278690137 214329652 /nfs/dbraw/zinc/32/96/52/214329652.db2.gz QUTHSYVUENJXMG-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1O ZINC000310899643 231117205 /nfs/dbraw/zinc/11/72/05/231117205.db2.gz MLELURIKGAKRIE-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1O ZINC000310899643 231117207 /nfs/dbraw/zinc/11/72/07/231117207.db2.gz MLELURIKGAKRIE-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000596197480 398354612 /nfs/dbraw/zinc/35/46/12/398354612.db2.gz DNOGKGQZZGGOHK-HOCLYGCPSA-N 1 2 323.400 2.754 20 30 DFEDLO N#CC1(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000066043760 398355489 /nfs/dbraw/zinc/35/54/89/398355489.db2.gz OXHPDABTJAYYTK-OAHLLOKOSA-N 1 2 312.417 2.641 20 30 DFEDLO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[nH]1 ZINC000081680613 398366653 /nfs/dbraw/zinc/36/66/53/398366653.db2.gz FZUSGSIGHNLZDR-ZDUSSCGKSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[nH]1 ZINC000081680613 398366655 /nfs/dbraw/zinc/36/66/55/398366655.db2.gz FZUSGSIGHNLZDR-ZDUSSCGKSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n[nH]1 ZINC000081680613 398366658 /nfs/dbraw/zinc/36/66/58/398366658.db2.gz FZUSGSIGHNLZDR-ZDUSSCGKSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n[nH]1 ZINC000081680613 398366659 /nfs/dbraw/zinc/36/66/59/398366659.db2.gz FZUSGSIGHNLZDR-ZDUSSCGKSA-N 1 2 303.341 2.505 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1F)C1CC1)C1CC1 ZINC000007858175 398366738 /nfs/dbraw/zinc/36/67/38/398366738.db2.gz VXZKABOPHKNFEQ-GOSISDBHSA-N 1 2 315.392 2.599 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1)C1CC1 ZINC000007858175 398366739 /nfs/dbraw/zinc/36/67/39/398366739.db2.gz VXZKABOPHKNFEQ-GOSISDBHSA-N 1 2 315.392 2.599 20 30 DFEDLO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[nH]1 ZINC000081680616 398366744 /nfs/dbraw/zinc/36/67/44/398366744.db2.gz FZUSGSIGHNLZDR-CYBMUJFWSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)[nH]1 ZINC000081680616 398366745 /nfs/dbraw/zinc/36/67/45/398366745.db2.gz FZUSGSIGHNLZDR-CYBMUJFWSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n[nH]1 ZINC000081680616 398366747 /nfs/dbraw/zinc/36/67/47/398366747.db2.gz FZUSGSIGHNLZDR-CYBMUJFWSA-N 1 2 303.341 2.505 20 30 DFEDLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n[nH]1 ZINC000081680616 398366749 /nfs/dbraw/zinc/36/67/49/398366749.db2.gz FZUSGSIGHNLZDR-CYBMUJFWSA-N 1 2 303.341 2.505 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000578415757 398373015 /nfs/dbraw/zinc/37/30/15/398373015.db2.gz GOKBWTZAPXLXAA-ZDUSSCGKSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)c2[nH+]ccn21 ZINC000592012857 398373549 /nfs/dbraw/zinc/37/35/49/398373549.db2.gz NCSSIYBHUBGRMS-JSGCOSHPSA-N 1 2 301.394 2.614 20 30 DFEDLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578776214 398375873 /nfs/dbraw/zinc/37/58/73/398375873.db2.gz YYQSZOYOESDXEP-CLCXKQKWSA-N 1 2 313.445 2.936 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000066424216 398376596 /nfs/dbraw/zinc/37/65/96/398376596.db2.gz GXZDDOISEBJHCP-KBPBESRZSA-N 1 2 305.397 2.827 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000066424216 398376597 /nfs/dbraw/zinc/37/65/97/398376597.db2.gz GXZDDOISEBJHCP-KBPBESRZSA-N 1 2 305.397 2.827 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C[C@H](C)C#N ZINC000066424815 398376788 /nfs/dbraw/zinc/37/67/88/398376788.db2.gz WYWWXFJANXHNOH-ZBFHGGJFSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C[C@H](C)C#N ZINC000066424815 398376791 /nfs/dbraw/zinc/37/67/91/398376791.db2.gz WYWWXFJANXHNOH-ZBFHGGJFSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578903995 398377091 /nfs/dbraw/zinc/37/70/91/398377091.db2.gz DTFAYTYNNWFMAI-NWDGAFQWSA-N 1 2 304.350 2.512 20 30 DFEDLO Cc1ccnc(OC2CC[NH+](Cc3ccncc3C#N)CC2)c1 ZINC000592098457 398383293 /nfs/dbraw/zinc/38/32/93/398383293.db2.gz ALVSATCCXSGIMS-UHFFFAOYSA-N 1 2 308.385 2.700 20 30 DFEDLO N#Cc1cnccc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000592109570 398385382 /nfs/dbraw/zinc/38/53/82/398385382.db2.gz XFHFSXOYAWOJTC-QGZVFWFLSA-N 1 2 307.401 2.892 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580777311 398385805 /nfs/dbraw/zinc/38/58/05/398385805.db2.gz PKFBFIGARMONFL-CYBMUJFWSA-N 1 2 314.838 2.528 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580777311 398385807 /nfs/dbraw/zinc/38/58/07/398385807.db2.gz PKFBFIGARMONFL-CYBMUJFWSA-N 1 2 314.838 2.528 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592125413 398388536 /nfs/dbraw/zinc/38/85/36/398388536.db2.gz WSPJLZZJUAXBMZ-DZGCQCFKSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125413 398388540 /nfs/dbraw/zinc/38/85/40/398388540.db2.gz WSPJLZZJUAXBMZ-DZGCQCFKSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000581187277 398388618 /nfs/dbraw/zinc/38/86/18/398388618.db2.gz RFHNYRUQHYVJDE-ORAYPTAESA-N 1 2 322.412 2.894 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146683 398391724 /nfs/dbraw/zinc/39/17/24/398391724.db2.gz JXIOUEKWBZBLAF-IFXJQAMLSA-N 1 2 323.396 2.517 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146683 398391725 /nfs/dbraw/zinc/39/17/25/398391725.db2.gz JXIOUEKWBZBLAF-IFXJQAMLSA-N 1 2 323.396 2.517 20 30 DFEDLO N#Cc1ccc2ncc(CN3CCCC[C@H]3c3[nH]cc[nH+]3)n2c1 ZINC000092728983 185336755 /nfs/dbraw/zinc/33/67/55/185336755.db2.gz XHNZVVVYURHFGR-HNNXBMFYSA-N 1 2 306.373 2.656 20 30 DFEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592446039 398427100 /nfs/dbraw/zinc/42/71/00/398427100.db2.gz ULZXTHUHOKSBAK-GOSISDBHSA-N 1 2 308.381 2.627 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@](F)(c4ccccc4)C3)cnc12 ZINC000592509855 398438575 /nfs/dbraw/zinc/43/85/75/398438575.db2.gz HWIPMJMUOKHPQS-GOSISDBHSA-N 1 2 321.359 2.672 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@](F)(c4ccccc4)C3)cnc12 ZINC000592509855 398438577 /nfs/dbraw/zinc/43/85/77/398438577.db2.gz HWIPMJMUOKHPQS-GOSISDBHSA-N 1 2 321.359 2.672 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067523347 398440548 /nfs/dbraw/zinc/44/05/48/398440548.db2.gz RBDOCLDYMHTRRP-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522651 398441353 /nfs/dbraw/zinc/44/13/53/398441353.db2.gz PKKAFLUKILDFHZ-AWEZNQCLSA-N 1 2 315.200 2.852 20 30 DFEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522651 398441357 /nfs/dbraw/zinc/44/13/57/398441357.db2.gz PKKAFLUKILDFHZ-AWEZNQCLSA-N 1 2 315.200 2.852 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000592522368 398441363 /nfs/dbraw/zinc/44/13/63/398441363.db2.gz MPPBLYHSGBHTQM-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000592522368 398441366 /nfs/dbraw/zinc/44/13/66/398441366.db2.gz MPPBLYHSGBHTQM-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000596618042 398462197 /nfs/dbraw/zinc/46/21/97/398462197.db2.gz JAQPJZQUCWTDCZ-UHFFFAOYSA-N 1 2 319.412 2.507 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000596618042 398462200 /nfs/dbraw/zinc/46/22/00/398462200.db2.gz JAQPJZQUCWTDCZ-UHFFFAOYSA-N 1 2 319.412 2.507 20 30 DFEDLO C#CCCCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000133385601 334959295 /nfs/dbraw/zinc/95/92/95/334959295.db2.gz ZXPUBIHAWQPGQG-OAHLLOKOSA-N 1 2 323.387 2.670 20 30 DFEDLO CN(C)c1ccc(CNC(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC000596780827 398500639 /nfs/dbraw/zinc/50/06/39/398500639.db2.gz LHYHKCYRVQBMQQ-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000596848091 398513243 /nfs/dbraw/zinc/51/32/43/398513243.db2.gz REYMIPBLZRQHAY-CYBMUJFWSA-N 1 2 324.384 2.836 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000596848091 398513245 /nfs/dbraw/zinc/51/32/45/398513245.db2.gz REYMIPBLZRQHAY-CYBMUJFWSA-N 1 2 324.384 2.836 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)ccc1Cl ZINC000286834195 219189208 /nfs/dbraw/zinc/18/92/08/219189208.db2.gz VDGZUSZGVKBKRN-UHFFFAOYSA-N 1 2 302.765 2.570 20 30 DFEDLO Cc1cc(NC(=O)C[NH2+][C@@H](C)CC#N)ccc1Br ZINC000068616051 398516694 /nfs/dbraw/zinc/51/66/94/398516694.db2.gz YERRIJWDHVUCHL-JTQLQIEISA-N 1 2 310.195 2.588 20 30 DFEDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593028329 398524391 /nfs/dbraw/zinc/52/43/91/398524391.db2.gz APMKHBGHXODUOO-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593028329 398524393 /nfs/dbraw/zinc/52/43/93/398524393.db2.gz APMKHBGHXODUOO-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000593035589 398527482 /nfs/dbraw/zinc/52/74/82/398527482.db2.gz VCDXWTGAEKOBNS-ZDUSSCGKSA-N 1 2 315.373 3.000 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000593035589 398527485 /nfs/dbraw/zinc/52/74/85/398527485.db2.gz VCDXWTGAEKOBNS-ZDUSSCGKSA-N 1 2 315.373 3.000 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000589127923 398529104 /nfs/dbraw/zinc/52/91/04/398529104.db2.gz QWIDVRYJUNEBFO-MRXNPFEDSA-N 1 2 308.385 2.968 20 30 DFEDLO C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1[nH+]ccn1C ZINC000596933486 398532009 /nfs/dbraw/zinc/53/20/09/398532009.db2.gz AWVIFZRBPCPKIS-ZDUSSCGKSA-N 1 2 323.400 2.731 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593058506 398533631 /nfs/dbraw/zinc/53/36/31/398533631.db2.gz NGRRXQNOMOVOBE-CABCVRRESA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000593058506 398533635 /nfs/dbraw/zinc/53/36/35/398533635.db2.gz NGRRXQNOMOVOBE-CABCVRRESA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)CO1 ZINC000593062478 398535965 /nfs/dbraw/zinc/53/59/65/398535965.db2.gz GTSJSZFZHYFVJZ-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)CO1 ZINC000593062478 398535971 /nfs/dbraw/zinc/53/59/71/398535971.db2.gz GTSJSZFZHYFVJZ-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H](NC(=O)c1cccc(C#N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000589436980 398551674 /nfs/dbraw/zinc/55/16/74/398551674.db2.gz GVZIAZFOSJGMLL-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccc(C#N)n1 ZINC000589506868 398558310 /nfs/dbraw/zinc/55/83/10/398558310.db2.gz YSEQZEFEZPMHOM-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)cn1 ZINC000589534138 398559398 /nfs/dbraw/zinc/55/93/98/398559398.db2.gz IMRYBUBDOSALIL-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000589536556 398559896 /nfs/dbraw/zinc/55/98/96/398559896.db2.gz WWHOKUVJXAQFLL-HNNXBMFYSA-N 1 2 324.384 2.848 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069359806 398566284 /nfs/dbraw/zinc/56/62/84/398566284.db2.gz JIIDJQCSGMIVFU-CYBMUJFWSA-N 1 2 317.364 2.609 20 30 DFEDLO N#Cc1cccnc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000069447792 398570107 /nfs/dbraw/zinc/57/01/07/398570107.db2.gz XAEDLQMJAKUOSB-CQSZACIVSA-N 1 2 314.414 2.500 20 30 DFEDLO N#CC1(CC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCOCC1 ZINC000597131631 398572200 /nfs/dbraw/zinc/57/22/00/398572200.db2.gz CQERLYREDUJAKI-UHFFFAOYSA-N 1 2 310.357 2.726 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1cccc(C#N)c1 ZINC000041703590 398570910 /nfs/dbraw/zinc/57/09/10/398570910.db2.gz OLIJIXOSAYASOZ-UHFFFAOYSA-N 1 2 304.353 2.533 20 30 DFEDLO COCC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 ZINC000589742669 398573577 /nfs/dbraw/zinc/57/35/77/398573577.db2.gz ZEAKKGRXUPVXNX-SFHVURJKSA-N 1 2 313.445 2.513 20 30 DFEDLO COCC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 ZINC000589742669 398573579 /nfs/dbraw/zinc/57/35/79/398573579.db2.gz ZEAKKGRXUPVXNX-SFHVURJKSA-N 1 2 313.445 2.513 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000597165803 398580943 /nfs/dbraw/zinc/58/09/43/398580943.db2.gz MEJXBFGAPACPGN-MGPQQGTHSA-N 1 2 314.776 2.558 20 30 DFEDLO CC(C)n1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597182542 398584265 /nfs/dbraw/zinc/58/42/65/398584265.db2.gz DJHWORDOZBEOLW-UHFFFAOYSA-N 1 2 315.446 2.719 20 30 DFEDLO COc1cc(OC)c(C[NH2+][C@H]2CCCC[C@H]2C#N)c(OC)c1 ZINC000597195772 398587536 /nfs/dbraw/zinc/58/75/36/398587536.db2.gz AERDNAHCGFVSLI-WFASDCNBSA-N 1 2 304.390 2.884 20 30 DFEDLO N#CCC1C[NH+](Cc2cccc(I)c2)C1 ZINC000597202729 398589154 /nfs/dbraw/zinc/58/91/54/398589154.db2.gz BDSMYAKVLPHUAA-UHFFFAOYSA-N 1 2 312.154 2.637 20 30 DFEDLO N#CCC1C[NH+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000597204232 398590340 /nfs/dbraw/zinc/59/03/40/398590340.db2.gz UYZMQVDSYRKXCC-UHFFFAOYSA-N 1 2 307.191 2.729 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000590013296 398590095 /nfs/dbraw/zinc/59/00/95/398590095.db2.gz ZKLWEFCRQRJNAQ-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000590071549 398594415 /nfs/dbraw/zinc/59/44/15/398594415.db2.gz VTYRHJVNQYOUPD-GFCCVEGCSA-N 1 2 310.357 2.522 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000070792745 398600220 /nfs/dbraw/zinc/60/02/20/398600220.db2.gz STVWRBNUHKALHY-UHFFFAOYSA-N 1 2 322.328 2.632 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000042957366 398607552 /nfs/dbraw/zinc/60/75/52/398607552.db2.gz KHRGTAFDZDSBAN-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000093100083 398618746 /nfs/dbraw/zinc/61/87/46/398618746.db2.gz OJKWPZPLPISWFM-UHFFFAOYSA-N 1 2 314.332 2.659 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000093100083 398618749 /nfs/dbraw/zinc/61/87/49/398618749.db2.gz OJKWPZPLPISWFM-UHFFFAOYSA-N 1 2 314.332 2.659 20 30 DFEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@]2(C#N)C[C@@H]2C)n1 ZINC000351094013 398617528 /nfs/dbraw/zinc/61/75/28/398617528.db2.gz RIHOAWPUGDKWOU-GTNSWQLSSA-N 1 2 307.357 2.831 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477079 398622749 /nfs/dbraw/zinc/62/27/49/398622749.db2.gz RRXGEKIYQLDLCZ-UHFFFAOYSA-N 1 2 319.368 2.548 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000593409133 398621142 /nfs/dbraw/zinc/62/11/42/398621142.db2.gz KNKGAOXDELRBLA-SOUVJXGZSA-N 1 2 315.417 2.784 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000072689859 398630244 /nfs/dbraw/zinc/63/02/44/398630244.db2.gz QSXVEIXZGILWJO-UHFFFAOYSA-N 1 2 312.417 2.851 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000072689859 398630247 /nfs/dbraw/zinc/63/02/47/398630247.db2.gz QSXVEIXZGILWJO-UHFFFAOYSA-N 1 2 312.417 2.851 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000072692924 398630773 /nfs/dbraw/zinc/63/07/73/398630773.db2.gz GMJBZWGDTLOLHT-UHFFFAOYSA-N 1 2 318.465 2.981 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000072692924 398630777 /nfs/dbraw/zinc/63/07/77/398630777.db2.gz GMJBZWGDTLOLHT-UHFFFAOYSA-N 1 2 318.465 2.981 20 30 DFEDLO CC(C)(C)OC(=O)c1cc(NCc2ccc(C#N)cc2)cc[nH+]1 ZINC000593455089 398634073 /nfs/dbraw/zinc/63/40/73/398634073.db2.gz OUUPBERUNZAIIR-UHFFFAOYSA-N 1 2 309.369 2.943 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281042352 334971780 /nfs/dbraw/zinc/97/17/80/334971780.db2.gz ROWODPHIDBRPGF-OAHLLOKOSA-N 1 2 302.422 2.836 20 30 DFEDLO N#CCC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000593543417 398653910 /nfs/dbraw/zinc/65/39/10/398653910.db2.gz AIUOKMSSUPKYEV-QGZVFWFLSA-N 1 2 322.412 2.923 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000590709291 398656813 /nfs/dbraw/zinc/65/68/13/398656813.db2.gz APROXWUBQJPALK-SFHVURJKSA-N 1 2 313.445 2.894 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000597573280 398662760 /nfs/dbraw/zinc/66/27/60/398662760.db2.gz XTRYLWJJXKVFOI-WFASDCNBSA-N 1 2 300.406 2.512 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1 ZINC000590754889 398667229 /nfs/dbraw/zinc/66/72/29/398667229.db2.gz RIHYOGKPSLAYPR-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1 ZINC000590754889 398667232 /nfs/dbraw/zinc/66/72/32/398667232.db2.gz RIHYOGKPSLAYPR-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000597640093 398672737 /nfs/dbraw/zinc/67/27/37/398672737.db2.gz VJLVVLCBPFBXFJ-CYBMUJFWSA-N 1 2 319.836 2.842 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000590836171 398684483 /nfs/dbraw/zinc/68/44/83/398684483.db2.gz DIJQOYZBLYZNND-WBMJQRKESA-N 1 2 323.400 2.822 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000590836170 398684600 /nfs/dbraw/zinc/68/46/00/398684600.db2.gz DIJQOYZBLYZNND-MLGOLLRUSA-N 1 2 323.400 2.822 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000045860003 398687778 /nfs/dbraw/zinc/68/77/78/398687778.db2.gz JBEKLQXDBYQRQJ-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000593972959 398711804 /nfs/dbraw/zinc/71/18/04/398711804.db2.gz TUSUHEPTPVNMCC-LBPRGKRZSA-N 1 2 301.350 2.613 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056027 398719405 /nfs/dbraw/zinc/71/94/05/398719405.db2.gz SSAOEZBCUHIQCR-ZIAGYGMSSA-N 1 2 311.422 2.548 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056027 398719408 /nfs/dbraw/zinc/71/94/08/398719408.db2.gz SSAOEZBCUHIQCR-ZIAGYGMSSA-N 1 2 311.422 2.548 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000594040809 398728848 /nfs/dbraw/zinc/72/88/48/398728848.db2.gz IENTWWOCTQRJFX-WWGRRREGSA-N 1 2 308.385 2.756 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000073394322 191312037 /nfs/dbraw/zinc/31/20/37/191312037.db2.gz ITEXSLFQBPEEMX-UHFFFAOYSA-N 1 2 317.396 2.528 20 30 DFEDLO Cc1csc(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000594104979 398744298 /nfs/dbraw/zinc/74/42/98/398744298.db2.gz ZKSLZQDWIXYRCE-NSHDSACASA-N 1 2 315.402 2.509 20 30 DFEDLO N#Cc1cccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000047411004 398747920 /nfs/dbraw/zinc/74/79/20/398747920.db2.gz OEQIWBMDXSLOPF-HNNXBMFYSA-N 1 2 306.369 2.808 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000121705068 283141977 /nfs/dbraw/zinc/14/19/77/283141977.db2.gz RXOQCHRDBONQEH-INIZCTEOSA-N 1 2 311.410 2.683 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000121705068 283141981 /nfs/dbraw/zinc/14/19/81/283141981.db2.gz RXOQCHRDBONQEH-INIZCTEOSA-N 1 2 311.410 2.683 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCn3ncnc32)c(C(F)(F)F)c1 ZINC000356195419 283146926 /nfs/dbraw/zinc/14/69/26/283146926.db2.gz REQJDDWYAKFHCC-CYBMUJFWSA-N 1 2 321.306 2.793 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594285717 398779114 /nfs/dbraw/zinc/77/91/14/398779114.db2.gz APSFSMFQCNBJKA-LBPRGKRZSA-N 1 2 300.337 2.674 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594285717 398779117 /nfs/dbraw/zinc/77/91/17/398779117.db2.gz APSFSMFQCNBJKA-LBPRGKRZSA-N 1 2 300.337 2.674 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1ncc2c(c1C#N)CCC2 ZINC000591818466 398791255 /nfs/dbraw/zinc/79/12/55/398791255.db2.gz FNVNBJZDZGOGPC-MRXNPFEDSA-N 1 2 307.401 2.907 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000591852955 398795425 /nfs/dbraw/zinc/79/54/25/398795425.db2.gz UDTKNXQXBATAET-CZUORRHYSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000591852955 398795428 /nfs/dbraw/zinc/79/54/28/398795428.db2.gz UDTKNXQXBATAET-CZUORRHYSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3ncccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000052218852 398836183 /nfs/dbraw/zinc/83/61/83/398836183.db2.gz HBKFDNPGMQGQOI-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601629 398839359 /nfs/dbraw/zinc/83/93/59/398839359.db2.gz VMQGAEJBCDGCNW-WBVHZDCISA-N 1 2 320.408 2.808 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601629 398839360 /nfs/dbraw/zinc/83/93/60/398839360.db2.gz VMQGAEJBCDGCNW-WBVHZDCISA-N 1 2 320.408 2.808 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052441319 398840250 /nfs/dbraw/zinc/84/02/50/398840250.db2.gz FYOGNHDGHYIWPS-UHFFFAOYSA-N 1 2 320.234 2.979 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052441319 398840251 /nfs/dbraw/zinc/84/02/51/398840251.db2.gz FYOGNHDGHYIWPS-UHFFFAOYSA-N 1 2 320.234 2.979 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCCCC1 ZINC000598624266 398843267 /nfs/dbraw/zinc/84/32/67/398843267.db2.gz YLXYGUSPKDWFGD-HZPDHXFCSA-N 1 2 324.465 2.779 20 30 DFEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(C2CCC2)nn1 ZINC000594735173 398851630 /nfs/dbraw/zinc/85/16/30/398851630.db2.gz NBQKGJPHNFWHDD-UHFFFAOYSA-N 1 2 312.377 2.693 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)Cc1cccs1 ZINC000053099857 398862191 /nfs/dbraw/zinc/86/21/91/398862191.db2.gz RWHORPDJKOTYCE-UHFFFAOYSA-N 1 2 310.463 2.621 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)Cc1cccs1 ZINC000053099857 398862195 /nfs/dbraw/zinc/86/21/95/398862195.db2.gz RWHORPDJKOTYCE-UHFFFAOYSA-N 1 2 310.463 2.621 20 30 DFEDLO CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)c1c[nH]c[nH+]1 ZINC000598728130 398863417 /nfs/dbraw/zinc/86/34/17/398863417.db2.gz HXTMMWABPLFQRS-UHFFFAOYSA-N 1 2 302.765 2.529 20 30 DFEDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594959493 398881805 /nfs/dbraw/zinc/88/18/05/398881805.db2.gz RAHAACKZVOWCDL-UHFFFAOYSA-N 1 2 300.793 2.918 20 30 DFEDLO COc1cc(C[NH2+]CC2(C#N)CCCCC2)c([N+](=O)[O-])cc1O ZINC000594996285 398888806 /nfs/dbraw/zinc/88/88/06/398888806.db2.gz YBUVBWFLLNWQCZ-UHFFFAOYSA-N 1 2 319.361 2.873 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(OC)cc1 ZINC000054272422 398894072 /nfs/dbraw/zinc/89/40/72/398894072.db2.gz WXDZHVXUESYOIP-UHFFFAOYSA-N 1 2 315.373 2.618 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(OC)cc1 ZINC000054272422 398894076 /nfs/dbraw/zinc/89/40/76/398894076.db2.gz WXDZHVXUESYOIP-UHFFFAOYSA-N 1 2 315.373 2.618 20 30 DFEDLO CCCCn1nnnc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340632 398896537 /nfs/dbraw/zinc/89/65/37/398896537.db2.gz YMQSYDOUTXMMCL-AWEZNQCLSA-N 1 2 312.421 2.928 20 30 DFEDLO CCCCn1nnnc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340632 398896541 /nfs/dbraw/zinc/89/65/41/398896541.db2.gz YMQSYDOUTXMMCL-AWEZNQCLSA-N 1 2 312.421 2.928 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000599021771 398908632 /nfs/dbraw/zinc/90/86/32/398908632.db2.gz FLIBJVNTPNUFLD-CZUORRHYSA-N 1 2 308.385 2.503 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC000187660617 200141005 /nfs/dbraw/zinc/14/10/05/200141005.db2.gz VMDAXDOCZJGZHQ-UHFFFAOYSA-N 1 2 302.321 2.963 20 30 DFEDLO CCc1nnc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000595299516 398918518 /nfs/dbraw/zinc/91/85/18/398918518.db2.gz SSZYRRVYYKRSKO-CQSZACIVSA-N 1 2 324.432 2.512 20 30 DFEDLO CCc1nnc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000595299516 398918522 /nfs/dbraw/zinc/91/85/22/398918522.db2.gz SSZYRRVYYKRSKO-CQSZACIVSA-N 1 2 324.432 2.512 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281091554 216074000 /nfs/dbraw/zinc/07/40/00/216074000.db2.gz VGEQKDCQUIOYCF-IBGZPJMESA-N 1 2 323.396 2.623 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281091554 216074003 /nfs/dbraw/zinc/07/40/03/216074003.db2.gz VGEQKDCQUIOYCF-IBGZPJMESA-N 1 2 323.396 2.623 20 30 DFEDLO C[N@@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000599159498 398931257 /nfs/dbraw/zinc/93/12/57/398931257.db2.gz CEGDFTGGXVZVHL-LBPRGKRZSA-N 1 2 316.792 2.502 20 30 DFEDLO C[N@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000599159498 398931262 /nfs/dbraw/zinc/93/12/62/398931262.db2.gz CEGDFTGGXVZVHL-LBPRGKRZSA-N 1 2 316.792 2.502 20 30 DFEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000595449109 398940894 /nfs/dbraw/zinc/94/08/94/398940894.db2.gz NCTCBKUGDKUGNK-IEBWSBKVSA-N 1 2 303.365 2.847 20 30 DFEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000595449109 398940899 /nfs/dbraw/zinc/94/08/99/398940899.db2.gz NCTCBKUGDKUGNK-IEBWSBKVSA-N 1 2 303.365 2.847 20 30 DFEDLO N#CCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000078247885 398944103 /nfs/dbraw/zinc/94/41/03/398944103.db2.gz OEQNVFWRGJCIQS-UHFFFAOYSA-N 1 2 323.400 2.650 20 30 DFEDLO CC(C)(CO)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccnc1 ZINC000595501577 398951211 /nfs/dbraw/zinc/95/12/11/398951211.db2.gz TZFLKUNJJZJWSR-QGZVFWFLSA-N 1 2 313.376 2.942 20 30 DFEDLO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511779 398954183 /nfs/dbraw/zinc/95/41/83/398954183.db2.gz QOTJGHXHOPMJRD-UJWQCDCRSA-N 1 2 323.440 2.673 20 30 DFEDLO N#C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511779 398954187 /nfs/dbraw/zinc/95/41/87/398954187.db2.gz QOTJGHXHOPMJRD-UJWQCDCRSA-N 1 2 323.440 2.673 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000595532205 398957350 /nfs/dbraw/zinc/95/73/50/398957350.db2.gz PXJACJCYMMVFOK-KBXCAEBGSA-N 1 2 323.400 2.878 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000613351702 398958633 /nfs/dbraw/zinc/95/86/33/398958633.db2.gz BNJXFAPCLWUNPN-DYVFJYSZSA-N 1 2 303.406 2.644 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000599349913 398958709 /nfs/dbraw/zinc/95/87/09/398958709.db2.gz LUKNBJKLWCJDSO-CQSZACIVSA-N 1 2 302.422 2.542 20 30 DFEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000292808493 223255372 /nfs/dbraw/zinc/25/53/72/223255372.db2.gz OKMXMZWXFNRVLA-UHFFFAOYSA-N 1 2 313.332 2.554 20 30 DFEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)o1 ZINC000292808493 223255375 /nfs/dbraw/zinc/25/53/75/223255375.db2.gz OKMXMZWXFNRVLA-UHFFFAOYSA-N 1 2 313.332 2.554 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000599414638 398975283 /nfs/dbraw/zinc/97/52/83/398975283.db2.gz FOCBYRRWKDBBJU-LEWSCRJBSA-N 1 2 321.783 2.866 20 30 DFEDLO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000613420764 398977874 /nfs/dbraw/zinc/97/78/74/398977874.db2.gz QOLQFYNQHXQZJU-KGLIPLIRSA-N 1 2 316.449 2.772 20 30 DFEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)c(C(F)(F)F)c1 ZINC000599422826 398976475 /nfs/dbraw/zinc/97/64/75/398976475.db2.gz PTEBZZUXUKXEAN-UHFFFAOYSA-N 1 2 306.291 2.858 20 30 DFEDLO CCOC[C@@H]1C[N@@H+]([C@H](C#N)c2ccccc2)C[C@H]1c1cnn(C)c1 ZINC000595585206 398984574 /nfs/dbraw/zinc/98/45/74/398984574.db2.gz NHFNHIRQMYGSKZ-GBESFXJTSA-N 1 2 324.428 2.737 20 30 DFEDLO CCOC[C@@H]1C[N@H+]([C@H](C#N)c2ccccc2)C[C@H]1c1cnn(C)c1 ZINC000595585206 398984580 /nfs/dbraw/zinc/98/45/80/398984580.db2.gz NHFNHIRQMYGSKZ-GBESFXJTSA-N 1 2 324.428 2.737 20 30 DFEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000599453524 398986383 /nfs/dbraw/zinc/98/63/83/398986383.db2.gz UACZKNSGPHBIHZ-GOSISDBHSA-N 1 2 309.413 2.807 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000599453524 398986387 /nfs/dbraw/zinc/98/63/87/398986387.db2.gz UACZKNSGPHBIHZ-GOSISDBHSA-N 1 2 309.413 2.807 20 30 DFEDLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595609775 398997747 /nfs/dbraw/zinc/99/77/47/398997747.db2.gz OZAGENDVUFKEHT-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595609775 398997753 /nfs/dbraw/zinc/99/77/53/398997753.db2.gz OZAGENDVUFKEHT-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO Cn1cc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)cn1 ZINC000595613340 399000453 /nfs/dbraw/zinc/00/04/53/399000453.db2.gz BHZRXAITHVNXGA-GFCCVEGCSA-N 1 2 301.419 2.669 20 30 DFEDLO Cn1cc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)cn1 ZINC000595613340 399000456 /nfs/dbraw/zinc/00/04/56/399000456.db2.gz BHZRXAITHVNXGA-GFCCVEGCSA-N 1 2 301.419 2.669 20 30 DFEDLO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595615580 399003175 /nfs/dbraw/zinc/00/31/75/399003175.db2.gz KYILYHRWOCBJEU-CYBMUJFWSA-N 1 2 303.431 2.973 20 30 DFEDLO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595615580 399003179 /nfs/dbraw/zinc/00/31/79/399003179.db2.gz KYILYHRWOCBJEU-CYBMUJFWSA-N 1 2 303.431 2.973 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595615708 399002165 /nfs/dbraw/zinc/00/21/65/399002165.db2.gz NBFJPKCGBKILPQ-GFCCVEGCSA-N 1 2 316.792 2.776 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595615708 399002168 /nfs/dbraw/zinc/00/21/68/399002168.db2.gz NBFJPKCGBKILPQ-GFCCVEGCSA-N 1 2 316.792 2.776 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000595618178 399004394 /nfs/dbraw/zinc/00/43/94/399004394.db2.gz YMZAIFIBCIEGDF-GFCCVEGCSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000595618178 399004398 /nfs/dbraw/zinc/00/43/98/399004398.db2.gz YMZAIFIBCIEGDF-GFCCVEGCSA-N 1 2 323.343 2.852 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccsc2C#N)CC1 ZINC000595630831 399010237 /nfs/dbraw/zinc/01/02/37/399010237.db2.gz MGFOUMRTKQKJBQ-UHFFFAOYSA-N 1 2 315.446 2.719 20 30 DFEDLO C=CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595638905 399013239 /nfs/dbraw/zinc/01/32/39/399013239.db2.gz OFPZXMYGQRRZFM-LLVKDONJSA-N 1 2 312.341 2.765 20 30 DFEDLO C=CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595638905 399013243 /nfs/dbraw/zinc/01/32/43/399013243.db2.gz OFPZXMYGQRRZFM-LLVKDONJSA-N 1 2 312.341 2.765 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cscn1 ZINC000595668743 399026374 /nfs/dbraw/zinc/02/63/74/399026374.db2.gz PNSQRNOALHWXEL-CYBMUJFWSA-N 1 2 314.414 2.741 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608282 399028351 /nfs/dbraw/zinc/02/83/51/399028351.db2.gz QLUZBBOLXVEIHQ-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1noc([C@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608282 399028354 /nfs/dbraw/zinc/02/83/54/399028354.db2.gz QLUZBBOLXVEIHQ-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000599614071 399029824 /nfs/dbraw/zinc/02/98/24/399029824.db2.gz QTQNPJZZSKOYTF-XJKSGUPXSA-N 1 2 308.385 2.503 20 30 DFEDLO CCC[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079298311 399031806 /nfs/dbraw/zinc/03/18/06/399031806.db2.gz XPABTYUHWKBXTG-QZTJIDSGSA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc(F)cc1F ZINC000595690398 399036771 /nfs/dbraw/zinc/03/67/71/399036771.db2.gz BLSOYIAUZAWIEZ-MISXGVKJSA-N 1 2 307.344 2.964 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595697321 399040799 /nfs/dbraw/zinc/04/07/99/399040799.db2.gz FOZFPMDRTLCUFW-YWPYICTPSA-N 1 2 316.361 2.594 20 30 DFEDLO C=CCOCCCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079406929 399041891 /nfs/dbraw/zinc/04/18/91/399041891.db2.gz DCBPAWHJHPNLAW-UHFFFAOYSA-N 1 2 313.401 2.530 20 30 DFEDLO COC(=O)[C@@]1([NH2+]CCOc2ccccc2C#N)CC[C@@H](C)CC1 ZINC000595708045 399047426 /nfs/dbraw/zinc/04/74/26/399047426.db2.gz FHEIKQUHMDBCLC-PPUGGXLSSA-N 1 2 316.401 2.649 20 30 DFEDLO COC(=O)[C@@]1([NH2+]Cc2ccc(CC#N)cc2)CC[C@@H](C)CC1 ZINC000595705698 399047880 /nfs/dbraw/zinc/04/78/80/399047880.db2.gz VHQPWWVUUDZWCW-PPUGGXLSSA-N 1 2 300.402 2.964 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2cccc(C#N)c2)c[nH+]1 ZINC000057516223 399049548 /nfs/dbraw/zinc/04/95/48/399049548.db2.gz IPQNYEXHQMBEBO-UHFFFAOYSA-N 1 2 308.385 2.729 20 30 DFEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595758135 399072857 /nfs/dbraw/zinc/07/28/57/399072857.db2.gz CAXNIPAKWAQWBS-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000595758135 399072862 /nfs/dbraw/zinc/07/28/62/399072862.db2.gz CAXNIPAKWAQWBS-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000595766671 399076293 /nfs/dbraw/zinc/07/62/93/399076293.db2.gz YQOUHVYATKKZCS-UHFFFAOYSA-N 1 2 306.431 2.618 20 30 DFEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000595766671 399076301 /nfs/dbraw/zinc/07/63/01/399076301.db2.gz YQOUHVYATKKZCS-UHFFFAOYSA-N 1 2 306.431 2.618 20 30 DFEDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000595765852 399075803 /nfs/dbraw/zinc/07/58/03/399075803.db2.gz KKTTXMVJNBWGQV-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000595765852 399075805 /nfs/dbraw/zinc/07/58/05/399075805.db2.gz KKTTXMVJNBWGQV-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)C[C@@H](C)O2)o1 ZINC000595795201 399087252 /nfs/dbraw/zinc/08/72/52/399087252.db2.gz TWFRRHSLXLXJRM-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)C[C@@H](C)O2)o1 ZINC000595795201 399087256 /nfs/dbraw/zinc/08/72/56/399087256.db2.gz TWFRRHSLXLXJRM-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO C=CCOc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000191603153 335004141 /nfs/dbraw/zinc/00/41/41/335004141.db2.gz WCBFADOJPJDYPP-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO CN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000595832303 399103684 /nfs/dbraw/zinc/10/36/84/399103684.db2.gz AERPWZXMTJKQAD-PKOBYXMFSA-N 1 2 311.429 2.758 20 30 DFEDLO CN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000595832303 399103691 /nfs/dbraw/zinc/10/36/91/399103691.db2.gz AERPWZXMTJKQAD-PKOBYXMFSA-N 1 2 311.429 2.758 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595832541 399104172 /nfs/dbraw/zinc/10/41/72/399104172.db2.gz BWECWMRICFITNL-ZPHDHXEYSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595832541 399104177 /nfs/dbraw/zinc/10/41/77/399104177.db2.gz BWECWMRICFITNL-ZPHDHXEYSA-N 1 2 315.461 2.695 20 30 DFEDLO C#CCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000191821541 335012302 /nfs/dbraw/zinc/01/23/02/335012302.db2.gz VXGSDNISBSVPQY-UHFFFAOYSA-N 1 2 311.385 2.525 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835381 399105788 /nfs/dbraw/zinc/10/57/88/399105788.db2.gz QVZJPZNOZNYQRL-GUYCJALGSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835381 399105791 /nfs/dbraw/zinc/10/57/91/399105791.db2.gz QVZJPZNOZNYQRL-GUYCJALGSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838658 399107984 /nfs/dbraw/zinc/10/79/84/399107984.db2.gz XOFBDBKNJRSBTG-YVEFUNNKSA-N 1 2 321.371 2.720 20 30 DFEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838658 399107989 /nfs/dbraw/zinc/10/79/89/399107989.db2.gz XOFBDBKNJRSBTG-YVEFUNNKSA-N 1 2 321.371 2.720 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599948724 399116215 /nfs/dbraw/zinc/11/62/15/399116215.db2.gz SDNMAFDKSCQGJC-IRXDYDNUSA-N 1 2 322.412 2.697 20 30 DFEDLO NC(=[NH+]OCc1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000060100255 399117849 /nfs/dbraw/zinc/11/78/49/399117849.db2.gz JDGAGYAPJSYVHP-UHFFFAOYSA-N 1 2 310.401 2.909 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385780 193241745 /nfs/dbraw/zinc/24/17/45/193241745.db2.gz ZHSCYZBFLXTYFX-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385780 193241747 /nfs/dbraw/zinc/24/17/47/193241747.db2.gz ZHSCYZBFLXTYFX-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595890557 399125756 /nfs/dbraw/zinc/12/57/56/399125756.db2.gz MWXTYNJXQKXPPF-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595890557 399125759 /nfs/dbraw/zinc/12/57/59/399125759.db2.gz MWXTYNJXQKXPPF-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000179902334 399131888 /nfs/dbraw/zinc/13/18/88/399131888.db2.gz MAMYABYRSGUISY-YVEFUNNKSA-N 1 2 321.396 2.539 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920968 399137993 /nfs/dbraw/zinc/13/79/93/399137993.db2.gz VQNSDRXVPKYFPQ-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920968 399137997 /nfs/dbraw/zinc/13/79/97/399137997.db2.gz VQNSDRXVPKYFPQ-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000264201382 203764662 /nfs/dbraw/zinc/76/46/62/203764662.db2.gz PTBTUVDVWCWCKM-UHFFFAOYSA-N 1 2 320.437 2.552 20 30 DFEDLO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](C)C#N)c1 ZINC000183813076 399155264 /nfs/dbraw/zinc/15/52/64/399155264.db2.gz NXWYQCHAAVKVIP-CQSZACIVSA-N 1 2 311.385 2.918 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185200349 399158805 /nfs/dbraw/zinc/15/88/05/399158805.db2.gz IYLKTYVOQALRKO-CHWSQXEVSA-N 1 2 322.453 2.831 20 30 DFEDLO C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551335 399157991 /nfs/dbraw/zinc/15/79/91/399157991.db2.gz SELAXLQHSNNDMZ-ZIAGYGMSSA-N 1 2 311.389 2.734 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000596070096 399162311 /nfs/dbraw/zinc/16/23/11/399162311.db2.gz MWTZYVUJPACGBP-GOEBONIOSA-N 1 2 305.385 2.893 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666609 335016002 /nfs/dbraw/zinc/01/60/02/335016002.db2.gz DNLKZJYFTBVDKA-RCCFBDPRSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666609 335016003 /nfs/dbraw/zinc/01/60/03/335016003.db2.gz DNLKZJYFTBVDKA-RCCFBDPRSA-N 1 2 319.832 2.553 20 30 DFEDLO C=C(Br)CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284739268 335016639 /nfs/dbraw/zinc/01/66/39/335016639.db2.gz KQMGCEAZZYDITQ-OAHLLOKOSA-N 1 2 309.251 2.754 20 30 DFEDLO C=C(Br)CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284739268 335016640 /nfs/dbraw/zinc/01/66/40/335016640.db2.gz KQMGCEAZZYDITQ-OAHLLOKOSA-N 1 2 309.251 2.754 20 30 DFEDLO C#CCN(C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CCCCC1 ZINC000062485717 399170956 /nfs/dbraw/zinc/17/09/56/399170956.db2.gz VMSNUKDIMGMXDH-UHFFFAOYSA-N 1 2 314.433 2.625 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000271689626 209127042 /nfs/dbraw/zinc/12/70/42/209127042.db2.gz RAYVYSRQHQFPLU-SNVBAGLBSA-N 1 2 300.387 2.824 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(C#N)ccn1 ZINC000288317262 220080849 /nfs/dbraw/zinc/08/08/49/220080849.db2.gz XJFMATUVJJKWAB-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO N#CCc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000600997431 399198908 /nfs/dbraw/zinc/19/89/08/399198908.db2.gz ASZFOAOKOFIZQT-UHFFFAOYSA-N 1 2 320.396 2.546 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000266344463 205280730 /nfs/dbraw/zinc/28/07/30/205280730.db2.gz IQHVKHVGGGIRLX-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3ccccc3C#N)CC2)cs1 ZINC000022814829 182336237 /nfs/dbraw/zinc/33/62/37/182336237.db2.gz JTAYNWBVHYFAAV-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1cc(C#N)cc(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)n1 ZINC000601163206 399244933 /nfs/dbraw/zinc/24/49/33/399244933.db2.gz DTVDCIASDYTNKW-MRXNPFEDSA-N 1 2 311.389 2.575 20 30 DFEDLO N#Cc1cncnc1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601187308 399250525 /nfs/dbraw/zinc/25/05/25/399250525.db2.gz RFXQQGLGUYMQGS-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000026130074 182430779 /nfs/dbraw/zinc/43/07/79/182430779.db2.gz RATKAAKUZTWNSR-ZDUSSCGKSA-N 1 2 304.353 2.626 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000286261647 335031152 /nfs/dbraw/zinc/03/11/52/335031152.db2.gz STKUZQOXRIYZLD-UHFFFAOYSA-N 1 2 313.426 2.753 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000286261647 335031153 /nfs/dbraw/zinc/03/11/53/335031153.db2.gz STKUZQOXRIYZLD-UHFFFAOYSA-N 1 2 313.426 2.753 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000601315297 399275650 /nfs/dbraw/zinc/27/56/50/399275650.db2.gz XIAJUPXQRHFISR-YOEHRIQHSA-N 1 2 308.385 2.672 20 30 DFEDLO Cc1cccn2cc(CC(=O)Nc3ccc(CC#N)cc3)[nH+]c12 ZINC000608783397 399295182 /nfs/dbraw/zinc/29/51/82/399295182.db2.gz UXMUKJQWOUOQBA-UHFFFAOYSA-N 1 2 304.353 2.890 20 30 DFEDLO C=CCC1(NC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000619111396 399296948 /nfs/dbraw/zinc/29/69/48/399296948.db2.gz ZXCHWIPHRUNVFH-CVEARBPZSA-N 1 2 308.466 2.881 20 30 DFEDLO C=CCC1(NC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000619111396 399296953 /nfs/dbraw/zinc/29/69/53/399296953.db2.gz ZXCHWIPHRUNVFH-CVEARBPZSA-N 1 2 308.466 2.881 20 30 DFEDLO N#Cc1cccc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000043329223 183354902 /nfs/dbraw/zinc/35/49/02/183354902.db2.gz PNMMAHWWWDFSDP-UHFFFAOYSA-N 1 2 305.341 2.570 20 30 DFEDLO Cc1nc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cs1 ZINC000609350581 399315475 /nfs/dbraw/zinc/31/54/75/399315475.db2.gz BCFMGNDKUJMPJP-VIFPVBQESA-N 1 2 313.390 2.678 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCc1cccc(F)c1 ZINC000609463853 399319563 /nfs/dbraw/zinc/31/95/63/399319563.db2.gz MKXGYPNAVXWCCZ-UHFFFAOYSA-N 1 2 324.363 2.924 20 30 DFEDLO Cc1ccc([C@H]2CCCN2c2[nH+]cnc3c2cnn3CCC#N)o1 ZINC000609704762 399330326 /nfs/dbraw/zinc/33/03/26/399330326.db2.gz HAXASUMCBFZSLV-CQSZACIVSA-N 1 2 322.372 2.983 20 30 DFEDLO Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)n(CCC#N)n1 ZINC000609784775 399331269 /nfs/dbraw/zinc/33/12/69/399331269.db2.gz AVTIPCBYHXHXDR-UHFFFAOYSA-N 1 2 320.356 2.543 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004228 399338653 /nfs/dbraw/zinc/33/86/53/399338653.db2.gz GJNSMZOJVYTIRA-KGLIPLIRSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004228 399338655 /nfs/dbraw/zinc/33/86/55/399338655.db2.gz GJNSMZOJVYTIRA-KGLIPLIRSA-N 1 2 317.408 2.753 20 30 DFEDLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000601817679 399342463 /nfs/dbraw/zinc/34/24/63/399342463.db2.gz JYAMQCUFNJPZGE-AEFFLSMTSA-N 1 2 322.412 2.625 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]1c1ccccc1 ZINC000610283157 399353338 /nfs/dbraw/zinc/35/33/38/399353338.db2.gz LQECCVKBMWFYHZ-CJNGLKHVSA-N 1 2 318.384 2.937 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(F)(F)CC3)o2)c1 ZINC000619515912 399356214 /nfs/dbraw/zinc/35/62/14/399356214.db2.gz ZQNIZAYNYYIZEQ-UHFFFAOYSA-N 1 2 304.300 2.839 20 30 DFEDLO CCSCC[C@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610285075 399354048 /nfs/dbraw/zinc/35/40/48/399354048.db2.gz QEGYAUDJDAZDBV-NSHDSACASA-N 1 2 304.423 2.684 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000619500908 399354591 /nfs/dbraw/zinc/35/45/91/399354591.db2.gz QGEKOSPQYSHMFE-GXSJLCMTSA-N 1 2 324.310 2.517 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)CCN1c1[nH+]cnc2c1cnn2CCC#N ZINC000619500911 399354603 /nfs/dbraw/zinc/35/46/03/399354603.db2.gz QGEKOSPQYSHMFE-ONGXEEELSA-N 1 2 324.310 2.517 20 30 DFEDLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610360341 399361116 /nfs/dbraw/zinc/36/11/16/399361116.db2.gz XVHQHIBYIAHPNM-CYBMUJFWSA-N 1 2 304.353 2.626 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610391123 399363098 /nfs/dbraw/zinc/36/30/98/399363098.db2.gz UJKDPUHVPMRLQQ-PBHICJAKSA-N 1 2 316.405 2.822 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000610406700 399364356 /nfs/dbraw/zinc/36/43/56/399364356.db2.gz JGNHNVTYQHYUMV-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CCN(c3c[nH+]ccc3C)CC2)n1 ZINC000619589507 399365345 /nfs/dbraw/zinc/36/53/45/399365345.db2.gz IEAATEKXIWVSJF-UHFFFAOYSA-N 1 2 307.401 2.600 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CCOCC1 ZINC000601952741 399368040 /nfs/dbraw/zinc/36/80/40/399368040.db2.gz HFQTUNXSGHULBK-CQSZACIVSA-N 1 2 313.401 2.670 20 30 DFEDLO CN1CCCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000601970754 399372398 /nfs/dbraw/zinc/37/23/98/399372398.db2.gz PIFYHZBOLYNGLO-HNNXBMFYSA-N 1 2 305.809 2.654 20 30 DFEDLO CN1CCCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000601970754 399372400 /nfs/dbraw/zinc/37/24/00/399372400.db2.gz PIFYHZBOLYNGLO-HNNXBMFYSA-N 1 2 305.809 2.654 20 30 DFEDLO CN1CCCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000601970756 399372406 /nfs/dbraw/zinc/37/24/06/399372406.db2.gz PIFYHZBOLYNGLO-OAHLLOKOSA-N 1 2 305.809 2.654 20 30 DFEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000601970756 399372409 /nfs/dbraw/zinc/37/24/09/399372409.db2.gz PIFYHZBOLYNGLO-OAHLLOKOSA-N 1 2 305.809 2.654 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601969525 399371478 /nfs/dbraw/zinc/37/14/78/399371478.db2.gz USGWQFGZIPTNSS-FZMZJTMJSA-N 1 2 311.307 2.772 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCCC(F)(F)C1 ZINC000619698299 399378904 /nfs/dbraw/zinc/37/89/04/399378904.db2.gz OUSDJRHOQFGKJP-NSHDSACASA-N 1 2 320.347 2.977 20 30 DFEDLO C=C[C@@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OC ZINC000619701509 399380369 /nfs/dbraw/zinc/38/03/69/399380369.db2.gz LKJXLNHFHAAJKT-CYBMUJFWSA-N 1 2 312.207 2.699 20 30 DFEDLO C=C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OC ZINC000619702034 399380146 /nfs/dbraw/zinc/38/01/46/399380146.db2.gz DGYGEZJQSVXVTO-ULQDDVLXSA-N 1 2 303.402 2.780 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000619716964 399381557 /nfs/dbraw/zinc/38/15/57/399381557.db2.gz GEXVRIUMMXOUKX-QGZVFWFLSA-N 1 2 313.401 2.669 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000619716964 399381560 /nfs/dbraw/zinc/38/15/60/399381560.db2.gz GEXVRIUMMXOUKX-QGZVFWFLSA-N 1 2 313.401 2.669 20 30 DFEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000619715977 399381640 /nfs/dbraw/zinc/38/16/40/399381640.db2.gz FQDLZDBHUDNGCX-CZUORRHYSA-N 1 2 322.836 2.746 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778525 399381805 /nfs/dbraw/zinc/38/18/05/399381805.db2.gz MXHDCAZJJXRMNN-STQMWFEESA-N 1 2 318.446 2.539 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778525 399381809 /nfs/dbraw/zinc/38/18/09/399381809.db2.gz MXHDCAZJJXRMNN-STQMWFEESA-N 1 2 318.446 2.539 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000619716992 399381420 /nfs/dbraw/zinc/38/14/20/399381420.db2.gz KIWKUMCVWHDLAQ-QGZVFWFLSA-N 1 2 303.402 2.677 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000610582001 399382547 /nfs/dbraw/zinc/38/25/47/399382547.db2.gz GGJLBWGFOSKGGG-NVXWUHKLSA-N 1 2 310.353 2.855 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000610582001 399382551 /nfs/dbraw/zinc/38/25/51/399382551.db2.gz GGJLBWGFOSKGGG-NVXWUHKLSA-N 1 2 310.353 2.855 20 30 DFEDLO C=C[C@@H](N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000619734838 399385173 /nfs/dbraw/zinc/38/51/73/399385173.db2.gz UKZJCECOPZWKPR-SJORKVTESA-N 1 2 313.401 2.558 20 30 DFEDLO C=C[C@@H](N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)OC ZINC000619734834 399384833 /nfs/dbraw/zinc/38/48/33/399384833.db2.gz UKZJCECOPZWKPR-IAGOWNOFSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287042832 335043752 /nfs/dbraw/zinc/04/37/52/335043752.db2.gz TURPGDYZQMMHEE-AAEUAGOBSA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287042832 335043754 /nfs/dbraw/zinc/04/37/54/335043754.db2.gz TURPGDYZQMMHEE-AAEUAGOBSA-N 1 2 321.446 2.531 20 30 DFEDLO N#Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1Cl ZINC000619763030 399388849 /nfs/dbraw/zinc/38/88/49/399388849.db2.gz VBCDMRHBEWFXFW-UHFFFAOYSA-N 1 2 302.765 2.505 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000285364082 218398787 /nfs/dbraw/zinc/39/87/87/218398787.db2.gz AKQIYDONCGAPGF-UHFFFAOYSA-N 1 2 314.776 2.885 20 30 DFEDLO Cc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)n(CCC#N)n1 ZINC000602077772 399391980 /nfs/dbraw/zinc/39/19/80/399391980.db2.gz GGLAANNHWQQCCJ-CQSZACIVSA-N 1 2 314.393 2.528 20 30 DFEDLO Cc1cc(F)ccc1CCNc1[nH+]cnc2c1cnn2CCC#N ZINC000610677826 399392033 /nfs/dbraw/zinc/39/20/33/399392033.db2.gz DJNFOTXNDCGIEH-UHFFFAOYSA-N 1 2 324.363 2.842 20 30 DFEDLO CC1(C)CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@H]1C#N ZINC000602139917 399400005 /nfs/dbraw/zinc/40/00/05/399400005.db2.gz HISYMSRZIXHZCL-INIZCTEOSA-N 1 2 324.384 2.732 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2cscc2C#N)[C@H](c2ccccc2)C1 ZINC000459881760 269692100 /nfs/dbraw/zinc/69/21/00/269692100.db2.gz CACADXGFCCNYCY-INIZCTEOSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2cscc2C#N)[C@H](c2ccccc2)C1 ZINC000459881760 269692101 /nfs/dbraw/zinc/69/21/01/269692101.db2.gz CACADXGFCCNYCY-INIZCTEOSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991525 399425012 /nfs/dbraw/zinc/42/50/12/399425012.db2.gz JQHIJRQIHRJVRG-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991525 399425015 /nfs/dbraw/zinc/42/50/15/399425015.db2.gz JQHIJRQIHRJVRG-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000602392603 399434882 /nfs/dbraw/zinc/43/48/82/399434882.db2.gz OIYFILURVGRROO-CYBMUJFWSA-N 1 2 300.337 2.839 20 30 DFEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(CCC#N)CC1 ZINC000611173742 399441121 /nfs/dbraw/zinc/44/11/21/399441121.db2.gz IXUFBHLJWMUOIV-UHFFFAOYSA-N 1 2 310.401 2.681 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000061891883 184193087 /nfs/dbraw/zinc/19/30/87/184193087.db2.gz LWLFYBTYPZZHGR-SKDRFNHKSA-N 1 2 323.190 2.960 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](Cc3ccnc(C#N)c3)CCO2)ccc1F ZINC000611211360 399446163 /nfs/dbraw/zinc/44/61/63/399446163.db2.gz RCMYVIJUAPNQTF-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](Cc3ccnc(C#N)c3)CCO2)ccc1F ZINC000611211360 399446166 /nfs/dbraw/zinc/44/61/66/399446166.db2.gz RCMYVIJUAPNQTF-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)OC)n1C ZINC000602464255 399451287 /nfs/dbraw/zinc/45/12/87/399451287.db2.gz DPOJSBUZRGFCIM-UHFFFAOYSA-N 1 2 305.422 2.964 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)OC)n1C ZINC000602464255 399451289 /nfs/dbraw/zinc/45/12/89/399451289.db2.gz DPOJSBUZRGFCIM-UHFFFAOYSA-N 1 2 305.422 2.964 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCSC[C@@H]2C)c1C#N ZINC000611348388 399464617 /nfs/dbraw/zinc/46/46/17/399464617.db2.gz WJTNCMBLOIODQV-ZDUSSCGKSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCSC[C@@H]2C)c1C#N ZINC000611348388 399464621 /nfs/dbraw/zinc/46/46/21/399464621.db2.gz WJTNCMBLOIODQV-ZDUSSCGKSA-N 1 2 312.442 2.990 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000611371065 399466926 /nfs/dbraw/zinc/46/69/26/399466926.db2.gz IOJUFQJYSRVITD-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000611371065 399466930 /nfs/dbraw/zinc/46/69/30/399466930.db2.gz IOJUFQJYSRVITD-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611387300 399469023 /nfs/dbraw/zinc/46/90/23/399469023.db2.gz JRQMWLPDHCCTTN-RYUDHWBXSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C#N)c1 ZINC000611514715 399485861 /nfs/dbraw/zinc/48/58/61/399485861.db2.gz RKVCJDNXTXMISF-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH+]1CCC(CC#N)CC1 ZINC000602596159 399486426 /nfs/dbraw/zinc/48/64/26/399486426.db2.gz IHVKLVVQRRZEAB-UHFFFAOYSA-N 1 2 318.421 2.501 20 30 DFEDLO Cc1cccnc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552601 399490605 /nfs/dbraw/zinc/49/06/05/399490605.db2.gz FDQOTDPSCCXKJI-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611555255 399491306 /nfs/dbraw/zinc/49/13/06/399491306.db2.gz TWEDWEQYKXXTSG-DYEKYZERSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611555255 399491308 /nfs/dbraw/zinc/49/13/08/399491308.db2.gz TWEDWEQYKXXTSG-DYEKYZERSA-N 1 2 319.371 2.704 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602643969 399500928 /nfs/dbraw/zinc/50/09/28/399500928.db2.gz IYEHLBGOHJZACT-RQJABVFESA-N 1 2 309.431 2.574 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602648125 399501175 /nfs/dbraw/zinc/50/11/75/399501175.db2.gz LYBYOHVOWYNHCM-UHFFFAOYSA-N 1 2 300.362 2.907 20 30 DFEDLO C=C(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602648125 399501180 /nfs/dbraw/zinc/50/11/80/399501180.db2.gz LYBYOHVOWYNHCM-UHFFFAOYSA-N 1 2 300.362 2.907 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1F ZINC000119724809 195026094 /nfs/dbraw/zinc/02/60/94/195026094.db2.gz KZTSENQXODWDHW-UHFFFAOYSA-N 1 2 320.371 2.891 20 30 DFEDLO CCOc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000119990412 195076851 /nfs/dbraw/zinc/07/68/51/195076851.db2.gz KZUWPJVIDCPSPP-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)C(=O)OC ZINC000602735627 399547798 /nfs/dbraw/zinc/54/77/98/399547798.db2.gz YSXQSNVMMGECCQ-GOEBONIOSA-N 1 2 318.417 2.810 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)s1 ZINC000602747986 399554622 /nfs/dbraw/zinc/55/46/22/399554622.db2.gz FQLPJEFOHHXJTH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)s1 ZINC000602747986 399554627 /nfs/dbraw/zinc/55/46/27/399554627.db2.gz FQLPJEFOHHXJTH-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000602747609 399554782 /nfs/dbraw/zinc/55/47/82/399554782.db2.gz DIXZWJORESKXOA-UHFFFAOYSA-N 1 2 304.463 2.832 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000602749285 399554997 /nfs/dbraw/zinc/55/49/97/399554997.db2.gz ZTBXKQRQDDKPKO-UHFFFAOYSA-N 1 2 315.314 2.876 20 30 DFEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(C)(C)C ZINC000288080720 335049811 /nfs/dbraw/zinc/04/98/11/335049811.db2.gz FSXJQXMWGPJAEA-OAHLLOKOSA-N 1 2 319.355 2.787 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162753 399595933 /nfs/dbraw/zinc/59/59/33/399595933.db2.gz MFLRLJDWBAKOLV-HKUYNNGSSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162753 399595936 /nfs/dbraw/zinc/59/59/36/399595936.db2.gz MFLRLJDWBAKOLV-HKUYNNGSSA-N 1 2 322.412 2.679 20 30 DFEDLO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000156645601 197130034 /nfs/dbraw/zinc/13/00/34/197130034.db2.gz HCKPKXRETQJRGR-GOSISDBHSA-N 1 2 324.428 2.997 20 30 DFEDLO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000156645601 197130035 /nfs/dbraw/zinc/13/00/35/197130035.db2.gz HCKPKXRETQJRGR-GOSISDBHSA-N 1 2 324.428 2.997 20 30 DFEDLO C=CCC(CC=C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155529401 197063579 /nfs/dbraw/zinc/06/35/79/197063579.db2.gz SCQXGAVULHHBSY-UHFFFAOYSA-N 1 2 315.417 2.934 20 30 DFEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602867436 399608915 /nfs/dbraw/zinc/60/89/15/399608915.db2.gz BXXFKTMOILUQKI-PBHICJAKSA-N 1 2 315.417 2.641 20 30 DFEDLO CCN(C(=O)C[NH2+][C@@H](C)CC#N)c1nc2ccccc2s1 ZINC000602868154 399608995 /nfs/dbraw/zinc/60/89/95/399608995.db2.gz HIHAHYRCIGTSAC-NSHDSACASA-N 1 2 302.403 2.541 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602868149 399608519 /nfs/dbraw/zinc/60/85/19/399608519.db2.gz HHNZRRLEORDRJX-QWRGUYRKSA-N 1 2 309.797 2.876 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000602868008 399608680 /nfs/dbraw/zinc/60/86/80/399608680.db2.gz GWBAZQKUCNIVEV-VXGBXAGGSA-N 1 2 316.430 2.535 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869318 399610165 /nfs/dbraw/zinc/61/01/65/399610165.db2.gz NLBSNXXTCPGEIV-JKSUJKDBSA-N 1 2 312.417 2.830 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cn[nH]c3)o2)c1 ZINC000602883117 399614523 /nfs/dbraw/zinc/61/45/23/399614523.db2.gz WLHMKIXQXNGLLD-HNNXBMFYSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cn[nH]c3)o2)c1 ZINC000602883117 399614527 /nfs/dbraw/zinc/61/45/27/399614527.db2.gz WLHMKIXQXNGLLD-HNNXBMFYSA-N 1 2 320.356 2.668 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602924449 399629492 /nfs/dbraw/zinc/62/94/92/399629492.db2.gz ITQNLZBDZGSLCL-HNNXBMFYSA-N 1 2 321.302 2.795 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C(C)(C)C ZINC000288547097 335056049 /nfs/dbraw/zinc/05/60/49/335056049.db2.gz IPBKDHPGSQFUHG-HNNXBMFYSA-N 1 2 314.433 2.529 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602924450 399629646 /nfs/dbraw/zinc/62/96/46/399629646.db2.gz ITQNLZBDZGSLCL-OAHLLOKOSA-N 1 2 321.302 2.795 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289825431 221250993 /nfs/dbraw/zinc/25/09/93/221250993.db2.gz JKEMFCSHUCRYPZ-OAHLLOKOSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289825431 221250996 /nfs/dbraw/zinc/25/09/96/221250996.db2.gz JKEMFCSHUCRYPZ-OAHLLOKOSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1F ZINC000289891590 221295563 /nfs/dbraw/zinc/29/55/63/221295563.db2.gz MVQLETCGKSGFMT-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1F ZINC000289891590 221295566 /nfs/dbraw/zinc/29/55/66/221295566.db2.gz MVQLETCGKSGFMT-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406681 399644859 /nfs/dbraw/zinc/64/48/59/399644859.db2.gz RFGBXEHMHZZTCF-KDOFPFPSSA-N 1 2 316.401 2.753 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406681 399644864 /nfs/dbraw/zinc/64/48/64/399644864.db2.gz RFGBXEHMHZZTCF-KDOFPFPSSA-N 1 2 316.401 2.753 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000612585961 399682130 /nfs/dbraw/zinc/68/21/30/399682130.db2.gz ZYVMMLHHXWAYFU-UHFFFAOYSA-N 1 2 307.760 2.699 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021623 399723344 /nfs/dbraw/zinc/72/33/44/399723344.db2.gz JVPLMIAEURLAIL-CQSZACIVSA-N 1 2 300.402 2.600 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021623 399723347 /nfs/dbraw/zinc/72/33/47/399723347.db2.gz JVPLMIAEURLAIL-CQSZACIVSA-N 1 2 300.402 2.600 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632840513 399757813 /nfs/dbraw/zinc/75/78/13/399757813.db2.gz FBJNIKJDCAWJEY-DOTOQJQBSA-N 1 2 311.385 2.788 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000613103021 399793534 /nfs/dbraw/zinc/79/35/34/399793534.db2.gz GLVKKCSJSZERSP-QGZVFWFLSA-N 1 2 301.390 2.746 20 30 DFEDLO Cc1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000603890720 399814218 /nfs/dbraw/zinc/81/42/18/399814218.db2.gz LAKCXFZYIPTVGW-UHFFFAOYSA-N 1 2 323.396 2.741 20 30 DFEDLO Cc1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)o1 ZINC000603890720 399814219 /nfs/dbraw/zinc/81/42/19/399814219.db2.gz LAKCXFZYIPTVGW-UHFFFAOYSA-N 1 2 323.396 2.741 20 30 DFEDLO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000328854539 543098178 /nfs/dbraw/zinc/09/81/78/543098178.db2.gz XNFNQNNDMVVXJP-LTIDMASMSA-N 1 2 323.481 2.570 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@H](c2nc(C)cs2)C2CC2)[N@H+](C)C1 ZINC000329040833 543100011 /nfs/dbraw/zinc/10/00/11/543100011.db2.gz SPCGTRMJNXPOCD-AVGNSLFASA-N 1 2 309.435 2.578 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@H](c2nc(C)cs2)C2CC2)[N@@H+](C)C1 ZINC000329040833 543100013 /nfs/dbraw/zinc/10/00/13/543100013.db2.gz SPCGTRMJNXPOCD-AVGNSLFASA-N 1 2 309.435 2.578 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nccs3)CCCC2)[N@H+](C)C1 ZINC000329149320 543100543 /nfs/dbraw/zinc/10/05/43/543100543.db2.gz YTMUEGQRNVDNCM-RYUDHWBXSA-N 1 2 309.435 2.588 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)NC2(c3nccs3)CCCC2)[N@@H+](C)C1 ZINC000329149320 543100546 /nfs/dbraw/zinc/10/05/46/543100546.db2.gz YTMUEGQRNVDNCM-RYUDHWBXSA-N 1 2 309.435 2.588 20 30 DFEDLO C[C@H](CNC(=O)N[C@H]1CCCCC12CCCC2)[NH+]1CCOCC1 ZINC000329596102 543106555 /nfs/dbraw/zinc/10/65/55/543106555.db2.gz CALPNBIWMMIBLY-CVEARBPZSA-N 1 2 323.481 2.714 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H](c2ccccc2)C1 ZINC000604559579 399856396 /nfs/dbraw/zinc/85/63/96/399856396.db2.gz ACBKUEZMUQVSOE-OAHLLOKOSA-N 1 2 318.384 2.734 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCOc2ccccc21 ZINC000604558272 399856445 /nfs/dbraw/zinc/85/64/45/399856445.db2.gz QUTLLPWJMVGTFN-AWEZNQCLSA-N 1 2 320.356 2.676 20 30 DFEDLO Cc1ccc([C@H](CNc2ncccc2C#N)[NH+]2CCOCC2)cc1 ZINC000052488404 425884354 /nfs/dbraw/zinc/88/43/54/425884354.db2.gz XGXXMQPNKOIQIF-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO C=CC[C@H](CO)CNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357469821 543261933 /nfs/dbraw/zinc/26/19/33/543261933.db2.gz IUOBDYMUUFLODL-LBPRGKRZSA-N 1 2 304.365 2.539 20 30 DFEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000173010691 145328779 /nfs/dbraw/zinc/32/87/79/145328779.db2.gz MAGKPVLWKHPCSQ-UHFFFAOYSA-N 1 2 311.307 2.771 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000633423071 399901977 /nfs/dbraw/zinc/90/19/77/399901977.db2.gz RUGJZKGWNOOBPR-UHFFFAOYSA-N 1 2 316.449 2.906 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)nn1 ZINC000631248306 400012264 /nfs/dbraw/zinc/01/22/64/400012264.db2.gz JLWYPTKTTMGURT-NSHDSACASA-N 1 2 313.361 2.552 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303798 400012478 /nfs/dbraw/zinc/01/24/78/400012478.db2.gz HMJHDCLGKKSDPG-CQSZACIVSA-N 1 2 319.474 2.853 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774792 400056019 /nfs/dbraw/zinc/05/60/19/400056019.db2.gz VTMVVEAGAMSHOU-IUODEOHRSA-N 1 2 317.364 2.736 20 30 DFEDLO CC(C)(CC#N)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458418270 543388705 /nfs/dbraw/zinc/38/87/05/543388705.db2.gz RKIBPEXUPVTZJL-UHFFFAOYSA-N 1 2 311.389 2.611 20 30 DFEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660634167 543528781 /nfs/dbraw/zinc/52/87/81/543528781.db2.gz HVZISOGILPVYKP-ZDUSSCGKSA-N 1 2 314.389 2.545 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000361645277 149179053 /nfs/dbraw/zinc/17/90/53/149179053.db2.gz CVMOXAINTAUYMB-IBGZPJMESA-N 1 2 308.381 2.838 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000361645277 149179054 /nfs/dbraw/zinc/17/90/54/149179054.db2.gz CVMOXAINTAUYMB-IBGZPJMESA-N 1 2 308.381 2.838 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C)c(C#N)c1)CCC2 ZINC000370240408 149905285 /nfs/dbraw/zinc/90/52/85/149905285.db2.gz HFVRSOWTVQFTEB-HNNXBMFYSA-N 1 2 308.385 2.679 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)cc1C)CCC2 ZINC000371257560 150011487 /nfs/dbraw/zinc/01/14/87/150011487.db2.gz YHGUZTXVOKEIEK-HNNXBMFYSA-N 1 2 308.385 2.679 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374376182 150355097 /nfs/dbraw/zinc/35/50/97/150355097.db2.gz BYMGWCIXTFUVSH-GOSISDBHSA-N 1 2 323.371 2.793 20 30 DFEDLO CCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000355152702 158286725 /nfs/dbraw/zinc/28/67/25/158286725.db2.gz UVQBOLPFAAUWGA-SFHVURJKSA-N 1 2 310.401 2.738 20 30 DFEDLO CCCn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000355152702 158286727 /nfs/dbraw/zinc/28/67/27/158286727.db2.gz UVQBOLPFAAUWGA-SFHVURJKSA-N 1 2 310.401 2.738 20 30 DFEDLO C#Cc1ccccc1CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000290275108 335070558 /nfs/dbraw/zinc/07/05/58/335070558.db2.gz WPGKEDRDOLTEDK-UHFFFAOYSA-N 1 2 322.408 2.889 20 30 DFEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)s2)cc1 ZINC000290284304 335070892 /nfs/dbraw/zinc/07/08/92/335070892.db2.gz XLVKGHNUEPDKQB-GFCCVEGCSA-N 1 2 301.415 2.963 20 30 DFEDLO N#Cc1ccnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000132600223 196270175 /nfs/dbraw/zinc/27/01/75/196270175.db2.gz KJDLULUDJSZREV-UHFFFAOYSA-N 1 2 320.312 2.850 20 30 DFEDLO C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000134100971 196362050 /nfs/dbraw/zinc/36/20/50/196362050.db2.gz KNYYMAVSTCXOTH-RISCZKNCSA-N 1 2 301.781 2.891 20 30 DFEDLO C[S@](=O)Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000134167870 196367433 /nfs/dbraw/zinc/36/74/33/196367433.db2.gz YPZQCRLCEBXUDU-HSZRJFAPSA-N 1 2 324.409 2.697 20 30 DFEDLO C#Cc1ccccc1CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000290515436 335072168 /nfs/dbraw/zinc/07/21/68/335072168.db2.gz UFFXDDIMEJXILI-UHFFFAOYSA-N 1 2 323.440 2.908 20 30 DFEDLO C#C[C@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000290995993 335077990 /nfs/dbraw/zinc/07/79/90/335077990.db2.gz AKTYGYCNAVEROT-ZETCQYMHSA-N 1 2 318.012 2.718 20 30 DFEDLO C=CC[C@H](C)[C@@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291156788 335078873 /nfs/dbraw/zinc/07/88/73/335078873.db2.gz HXJRRFOTUNXZKE-LSDHHAIUSA-N 1 2 301.434 2.631 20 30 DFEDLO C=CC[C@H](C)[C@@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291156788 335078875 /nfs/dbraw/zinc/07/88/75/335078875.db2.gz HXJRRFOTUNXZKE-LSDHHAIUSA-N 1 2 301.434 2.631 20 30 DFEDLO CN(C(=O)C[N@H+](C)CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000676556997 544385410 /nfs/dbraw/zinc/38/54/10/544385410.db2.gz FCJXPTOANCRZLK-UHFFFAOYSA-N 1 2 316.420 2.900 20 30 DFEDLO CN(C(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000676556997 544385413 /nfs/dbraw/zinc/38/54/13/544385413.db2.gz FCJXPTOANCRZLK-UHFFFAOYSA-N 1 2 316.420 2.900 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(C#N)CC1 ZINC000057880992 425897221 /nfs/dbraw/zinc/89/72/21/425897221.db2.gz IDCDLYSXNJGWSU-LLVKDONJSA-N 1 2 323.343 2.851 20 30 DFEDLO COCC[N@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000058397765 425897828 /nfs/dbraw/zinc/89/78/28/425897828.db2.gz DVGCMFGLHAMXJX-UHFFFAOYSA-N 1 2 320.396 2.855 20 30 DFEDLO COCC[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000058397765 425897829 /nfs/dbraw/zinc/89/78/29/425897829.db2.gz DVGCMFGLHAMXJX-UHFFFAOYSA-N 1 2 320.396 2.855 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCCCOc2ccc(F)cc2)cs1 ZINC000063456865 425900625 /nfs/dbraw/zinc/90/06/25/425900625.db2.gz AVGOPACWLKEJGS-UHFFFAOYSA-N 1 2 323.393 2.891 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000348344198 269998798 /nfs/dbraw/zinc/99/87/98/269998798.db2.gz QQSCECWUDSRRHH-MRXNPFEDSA-N 1 2 304.353 2.891 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000156640022 425935499 /nfs/dbraw/zinc/93/54/99/425935499.db2.gz LCVKENYTANNGQX-INIZCTEOSA-N 1 2 322.412 2.849 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000156640022 425935503 /nfs/dbraw/zinc/93/55/03/425935503.db2.gz LCVKENYTANNGQX-INIZCTEOSA-N 1 2 322.412 2.849 20 30 DFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000156858442 425936141 /nfs/dbraw/zinc/93/61/41/425936141.db2.gz CZEHFKUSOGJFHT-UHFFFAOYSA-N 1 2 313.426 2.951 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000156811406 425935606 /nfs/dbraw/zinc/93/56/06/425935606.db2.gz GXXPIXOGBMTILA-DLBZAZTESA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000156811406 425935611 /nfs/dbraw/zinc/93/56/11/425935611.db2.gz GXXPIXOGBMTILA-DLBZAZTESA-N 1 2 305.805 2.571 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340926731 266111519 /nfs/dbraw/zinc/11/15/19/266111519.db2.gz RJVYDYYSSLJESZ-OAHLLOKOSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340926731 266111523 /nfs/dbraw/zinc/11/15/23/266111523.db2.gz RJVYDYYSSLJESZ-OAHLLOKOSA-N 1 2 303.381 2.530 20 30 DFEDLO CC[N@H+](Cc1nc(CCOC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629214 266138615 /nfs/dbraw/zinc/13/86/15/266138615.db2.gz KGFDIJGGXZBWBM-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO CC[N@@H+](Cc1nc(CCOC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629214 266138617 /nfs/dbraw/zinc/13/86/17/266138617.db2.gz KGFDIJGGXZBWBM-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO CC[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342415789 266432756 /nfs/dbraw/zinc/43/27/56/266432756.db2.gz BDMTUUAQEWSXMR-IEBWSBKVSA-N 1 2 311.429 2.639 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352926755 266435690 /nfs/dbraw/zinc/43/56/90/266435690.db2.gz XCHLHSJAJGSTQD-UHFFFAOYSA-N 1 2 309.344 2.747 20 30 DFEDLO CC(=O)Nc1ccccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459609149 266842011 /nfs/dbraw/zinc/84/20/11/266842011.db2.gz IWPDFWCTOFLEGK-UHFFFAOYSA-N 1 2 321.380 2.780 20 30 DFEDLO CCC(CC)C(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425211512 266995910 /nfs/dbraw/zinc/99/59/10/266995910.db2.gz XEETXDJKRUVSPU-UHFFFAOYSA-N 1 2 314.433 2.523 20 30 DFEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc2O1 ZINC000342768094 267055367 /nfs/dbraw/zinc/05/53/67/267055367.db2.gz INHKEALGEXGTBH-CYBMUJFWSA-N 1 2 304.353 2.993 20 30 DFEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000348327831 267060270 /nfs/dbraw/zinc/06/02/70/267060270.db2.gz XYNGFIBNZKJQND-FSPWUOQZSA-N 1 2 305.381 2.778 20 30 DFEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000348327831 267060273 /nfs/dbraw/zinc/06/02/73/267060273.db2.gz XYNGFIBNZKJQND-FSPWUOQZSA-N 1 2 305.381 2.778 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000521742273 267069064 /nfs/dbraw/zinc/06/90/64/267069064.db2.gz QPJFBZOSCLXAAP-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000521742273 267069066 /nfs/dbraw/zinc/06/90/66/267069066.db2.gz QPJFBZOSCLXAAP-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[C@@H]1COCC[N@@H+]1CCSc1nc2c(cc1C#N)CCCC2 ZINC000188283049 267069581 /nfs/dbraw/zinc/06/95/81/267069581.db2.gz SBBIWYDRYUZMKN-CYBMUJFWSA-N 1 2 317.458 2.645 20 30 DFEDLO C[C@@H]1COCC[N@H+]1CCSc1nc2c(cc1C#N)CCCC2 ZINC000188283049 267069583 /nfs/dbraw/zinc/06/95/83/267069583.db2.gz SBBIWYDRYUZMKN-CYBMUJFWSA-N 1 2 317.458 2.645 20 30 DFEDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704477 267092364 /nfs/dbraw/zinc/09/23/64/267092364.db2.gz PUGWLCMOBMDOAQ-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704477 267092367 /nfs/dbraw/zinc/09/23/67/267092367.db2.gz PUGWLCMOBMDOAQ-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000459716155 267139768 /nfs/dbraw/zinc/13/97/68/267139768.db2.gz PRCRIQYTOKZBQP-CQSZACIVSA-N 1 2 319.405 2.598 20 30 DFEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000459716155 267139771 /nfs/dbraw/zinc/13/97/71/267139771.db2.gz PRCRIQYTOKZBQP-CQSZACIVSA-N 1 2 319.405 2.598 20 30 DFEDLO CCO[C@@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C ZINC000451539383 267148078 /nfs/dbraw/zinc/14/80/78/267148078.db2.gz KCJKLKJGNYJNNF-XYPHTWIQSA-N 1 2 316.401 2.519 20 30 DFEDLO CCO[C@@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C ZINC000451539383 267148080 /nfs/dbraw/zinc/14/80/80/267148080.db2.gz KCJKLKJGNYJNNF-XYPHTWIQSA-N 1 2 316.401 2.519 20 30 DFEDLO CCOc1ccccc1N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425203609 267175583 /nfs/dbraw/zinc/17/55/83/267175583.db2.gz RYIJSZLRRNIBRP-UHFFFAOYSA-N 1 2 322.412 2.987 20 30 DFEDLO C[C@H]1CCN(c2nccc(C#N)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000342629871 267218591 /nfs/dbraw/zinc/21/85/91/267218591.db2.gz BNRANDNXGQCZKU-AAEUAGOBSA-N 1 2 301.781 2.891 20 30 DFEDLO C[C@H]1CCN(c2nccc(C#N)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000342629890 267218734 /nfs/dbraw/zinc/21/87/34/267218734.db2.gz BNRANDNXGQCZKU-WCQYABFASA-N 1 2 301.781 2.891 20 30 DFEDLO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000399225974 267222668 /nfs/dbraw/zinc/22/26/68/267222668.db2.gz XXUIDHFSPCXPJJ-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000399225974 267222670 /nfs/dbraw/zinc/22/26/70/267222670.db2.gz XXUIDHFSPCXPJJ-IINYFYTJSA-N 1 2 309.207 2.666 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000493417855 267256159 /nfs/dbraw/zinc/25/61/59/267256159.db2.gz JWEPPDBNSBARMS-VOTSOKGWSA-N 1 2 323.400 2.801 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC ZINC000454641457 267257366 /nfs/dbraw/zinc/25/73/66/267257366.db2.gz KQDSUZODXNMTGU-LLVKDONJSA-N 1 2 313.361 2.666 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412392212 267259145 /nfs/dbraw/zinc/25/91/45/267259145.db2.gz BSXSREOTMPEERX-VBNZEHGJSA-N 1 2 308.385 2.756 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2[nH+]1 ZINC000516880422 267294438 /nfs/dbraw/zinc/29/44/38/267294438.db2.gz OWGUDFILEFIRSU-UHFFFAOYSA-N 1 2 319.368 2.682 20 30 DFEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000459514264 267311920 /nfs/dbraw/zinc/31/19/20/267311920.db2.gz PCPPFYBDHBPMHV-ZDUSSCGKSA-N 1 2 305.378 2.695 20 30 DFEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000459514264 267311924 /nfs/dbraw/zinc/31/19/24/267311924.db2.gz PCPPFYBDHBPMHV-ZDUSSCGKSA-N 1 2 305.378 2.695 20 30 DFEDLO C[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450224498 267321691 /nfs/dbraw/zinc/32/16/91/267321691.db2.gz BOENQBIRSUXTQS-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO C[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450224498 267321695 /nfs/dbraw/zinc/32/16/95/267321695.db2.gz BOENQBIRSUXTQS-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO Cc1nc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cs1 ZINC000348326001 267635131 /nfs/dbraw/zinc/63/51/31/267635131.db2.gz ZUJZRWDMEJZGDW-QMMMGPOBSA-N 1 2 306.416 2.674 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000179557186 267701819 /nfs/dbraw/zinc/70/18/19/267701819.db2.gz RWPJDFRBCVPGER-KRWDZBQOSA-N 1 2 312.369 2.757 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179557186 267701823 /nfs/dbraw/zinc/70/18/23/267701823.db2.gz RWPJDFRBCVPGER-KRWDZBQOSA-N 1 2 312.369 2.757 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000518371373 267810416 /nfs/dbraw/zinc/81/04/16/267810416.db2.gz STTWFRGXPPFAHL-UONOGXRCSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000518371373 267810423 /nfs/dbraw/zinc/81/04/23/267810423.db2.gz STTWFRGXPPFAHL-UONOGXRCSA-N 1 2 313.401 2.529 20 30 DFEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032514572 425838809 /nfs/dbraw/zinc/83/88/09/425838809.db2.gz XMLKOZDQDTUDQN-INIZCTEOSA-N 1 2 316.836 2.901 20 30 DFEDLO N#CCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041569223 425852375 /nfs/dbraw/zinc/85/23/75/425852375.db2.gz IHWHPHYFZVTEHT-UHFFFAOYSA-N 1 2 312.398 2.554 20 30 DFEDLO N#CCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041569223 425852376 /nfs/dbraw/zinc/85/23/76/425852376.db2.gz IHWHPHYFZVTEHT-UHFFFAOYSA-N 1 2 312.398 2.554 20 30 DFEDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413044385 268012564 /nfs/dbraw/zinc/01/25/64/268012564.db2.gz DFDMNVSXZHUYKN-UHFFFAOYSA-N 1 2 311.345 2.848 20 30 DFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488119463 268072001 /nfs/dbraw/zinc/07/20/01/268072001.db2.gz CFFZKQXRNGUKLA-QGZVFWFLSA-N 1 2 310.401 2.780 20 30 DFEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488119463 268072004 /nfs/dbraw/zinc/07/20/04/268072004.db2.gz CFFZKQXRNGUKLA-QGZVFWFLSA-N 1 2 310.401 2.780 20 30 DFEDLO N#Cc1ccc(OC[C@H](O)C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000341764183 268177444 /nfs/dbraw/zinc/17/74/44/268177444.db2.gz QYRMRALQBKLUCY-OAHLLOKOSA-N 1 2 324.371 2.665 20 30 DFEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000341764183 268177445 /nfs/dbraw/zinc/17/74/45/268177445.db2.gz QYRMRALQBKLUCY-OAHLLOKOSA-N 1 2 324.371 2.665 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(Br)c1 ZINC000421021285 268222111 /nfs/dbraw/zinc/22/21/11/268222111.db2.gz OKFUMTHCJRVOMJ-AWEZNQCLSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(Br)c1 ZINC000421021285 268222112 /nfs/dbraw/zinc/22/21/12/268222112.db2.gz OKFUMTHCJRVOMJ-AWEZNQCLSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000340106638 268244147 /nfs/dbraw/zinc/24/41/47/268244147.db2.gz RANKHKPSKVABTB-UHFFFAOYSA-N 1 2 316.364 2.716 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2F)C(N)=O)cc1 ZINC000488129320 268262687 /nfs/dbraw/zinc/26/26/87/268262687.db2.gz RAWNMGJQQCHSQH-OAHLLOKOSA-N 1 2 317.751 2.667 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(C3CC3)cc2F)C(N)=O)cc1 ZINC000427827246 268263757 /nfs/dbraw/zinc/26/37/57/268263757.db2.gz LQIFXKUNHIIJIZ-SFHVURJKSA-N 1 2 323.371 2.891 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411930784 268290840 /nfs/dbraw/zinc/29/08/40/268290840.db2.gz ZRNIWEGZXQBHMQ-QAPCUYQASA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411930784 268290842 /nfs/dbraw/zinc/29/08/42/268290842.db2.gz ZRNIWEGZXQBHMQ-QAPCUYQASA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000459392854 268290957 /nfs/dbraw/zinc/29/09/57/268290957.db2.gz RBRFQPWQYQLHIL-SFHVURJKSA-N 1 2 323.352 2.558 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000459392854 268290959 /nfs/dbraw/zinc/29/09/59/268290959.db2.gz RBRFQPWQYQLHIL-SFHVURJKSA-N 1 2 323.352 2.558 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc(C#N)cc2Cl)CC1(C)C ZINC000296407717 268305189 /nfs/dbraw/zinc/30/51/89/268305189.db2.gz WIEHSBKYHZCMRT-LBPRGKRZSA-N 1 2 301.781 2.928 20 30 DFEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC2(F)CC2)CC1 ZINC000527220360 268315068 /nfs/dbraw/zinc/31/50/68/268315068.db2.gz OPRQVMJPBZFPFI-UHFFFAOYSA-N 1 2 310.376 2.731 20 30 DFEDLO N#Cc1cscc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000339980177 268321348 /nfs/dbraw/zinc/32/13/48/268321348.db2.gz AUHYTDACOKHXSW-UHFFFAOYSA-N 1 2 300.387 2.637 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340408338 268321721 /nfs/dbraw/zinc/32/17/21/268321721.db2.gz KIFBVFPHMGYOSY-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000157660506 425939871 /nfs/dbraw/zinc/93/98/71/425939871.db2.gz VMWLMDPKUXSDQZ-RDBSUJKOSA-N 1 2 305.397 2.873 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000157660506 425939878 /nfs/dbraw/zinc/93/98/78/425939878.db2.gz VMWLMDPKUXSDQZ-RDBSUJKOSA-N 1 2 305.397 2.873 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000158414019 425942314 /nfs/dbraw/zinc/94/23/14/425942314.db2.gz LLABEEZHWFJPOI-KURKYZTESA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000158414019 425942316 /nfs/dbraw/zinc/94/23/16/425942316.db2.gz LLABEEZHWFJPOI-KURKYZTESA-N 1 2 319.832 2.960 20 30 DFEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000072920227 426022816 /nfs/dbraw/zinc/02/28/16/426022816.db2.gz ACBUDBGSSPJFFG-LLVKDONJSA-N 1 2 318.377 2.794 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1F ZINC000126718324 426033254 /nfs/dbraw/zinc/03/32/54/426033254.db2.gz FIWROTUHJRGSOH-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1F ZINC000126718324 426033256 /nfs/dbraw/zinc/03/32/56/426033256.db2.gz FIWROTUHJRGSOH-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OCCCC#N ZINC000126890163 426040983 /nfs/dbraw/zinc/04/09/83/426040983.db2.gz MYEANFJEMRYZGS-HUUCEWRRSA-N 1 2 318.417 2.987 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)s1 ZINC000126467896 426021148 /nfs/dbraw/zinc/02/11/48/426021148.db2.gz ZURVHARIZKHHIF-UHFFFAOYSA-N 1 2 321.343 2.638 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000075640137 426079351 /nfs/dbraw/zinc/07/93/51/426079351.db2.gz VOISHPSJGIEEQR-JKSUJKDBSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000075640137 426079353 /nfs/dbraw/zinc/07/93/53/426079353.db2.gz VOISHPSJGIEEQR-JKSUJKDBSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)O1 ZINC000075648719 426080281 /nfs/dbraw/zinc/08/02/81/426080281.db2.gz MKYOTVQQDKTJGW-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)O1 ZINC000075648719 426080284 /nfs/dbraw/zinc/08/02/84/426080284.db2.gz MKYOTVQQDKTJGW-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H](CNc1cc(C#N)ccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000127709947 426081019 /nfs/dbraw/zinc/08/10/19/426081019.db2.gz KCYPDHBYRSRAPJ-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000127735716 426083734 /nfs/dbraw/zinc/08/37/34/426083734.db2.gz ACDQFHCXFJQAIR-CZUORRHYSA-N 1 2 309.373 2.870 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCOc2ccccc2C#N)o1 ZINC000116893988 426200948 /nfs/dbraw/zinc/20/09/48/426200948.db2.gz WHUNCKQHKIDZFW-MRXNPFEDSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@H+]2CCOc2ccccc2C#N)o1 ZINC000116893988 426200950 /nfs/dbraw/zinc/20/09/50/426200950.db2.gz WHUNCKQHKIDZFW-MRXNPFEDSA-N 1 2 312.369 2.912 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133903013 426185268 /nfs/dbraw/zinc/18/52/68/426185268.db2.gz LHOFYDIYJZJSKX-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133903013 426185271 /nfs/dbraw/zinc/18/52/71/426185271.db2.gz LHOFYDIYJZJSKX-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000134923608 426200171 /nfs/dbraw/zinc/20/01/71/426200171.db2.gz HHLAPLMGDBWCKF-MJGOQNOKSA-N 1 2 316.445 2.778 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000118398499 426235492 /nfs/dbraw/zinc/23/54/92/426235492.db2.gz PLLPHXNGQIPFHL-MAUKXSAKSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000118398499 426235495 /nfs/dbraw/zinc/23/54/95/426235495.db2.gz PLLPHXNGQIPFHL-MAUKXSAKSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000118398513 426236054 /nfs/dbraw/zinc/23/60/54/426236054.db2.gz SSQAVXFAFCWCRK-LPHOPBHVSA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000118398513 426236058 /nfs/dbraw/zinc/23/60/58/426236058.db2.gz SSQAVXFAFCWCRK-LPHOPBHVSA-N 1 2 324.428 2.834 20 30 DFEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000118959673 426252168 /nfs/dbraw/zinc/25/21/68/426252168.db2.gz MJHSSMZKCYUXPJ-PBHICJAKSA-N 1 2 322.412 2.927 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120031928 426305508 /nfs/dbraw/zinc/30/55/08/426305508.db2.gz FJPIJHZPWVHLMA-MLGOLLRUSA-N 1 2 324.856 2.553 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120031928 426305511 /nfs/dbraw/zinc/30/55/11/426305511.db2.gz FJPIJHZPWVHLMA-MLGOLLRUSA-N 1 2 324.856 2.553 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120663144 426313725 /nfs/dbraw/zinc/31/37/25/426313725.db2.gz VVKYAGGFFSWUOD-INIZCTEOSA-N 1 2 324.380 2.940 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2ncc(C(C)(C)C)o2)cc1 ZINC000152234627 426333793 /nfs/dbraw/zinc/33/37/93/426333793.db2.gz ODWCXNHDJATRGR-UHFFFAOYSA-N 1 2 303.362 2.818 20 30 DFEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000121336482 426335060 /nfs/dbraw/zinc/33/50/60/426335060.db2.gz AUVZWJRMUZAUFI-IBGZPJMESA-N 1 2 322.383 2.915 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000121336482 426335062 /nfs/dbraw/zinc/33/50/62/426335062.db2.gz AUVZWJRMUZAUFI-IBGZPJMESA-N 1 2 322.383 2.915 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175135369 426281276 /nfs/dbraw/zinc/28/12/76/426281276.db2.gz KXSNBVRTAVTJEU-LBPRGKRZSA-N 1 2 312.373 2.813 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175135369 426281277 /nfs/dbraw/zinc/28/12/77/426281277.db2.gz KXSNBVRTAVTJEU-LBPRGKRZSA-N 1 2 312.373 2.813 20 30 DFEDLO C=CCCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000175206114 426287603 /nfs/dbraw/zinc/28/76/03/426287603.db2.gz MSWMMGGBBMTTKE-KRWDZBQOSA-N 1 2 302.418 2.532 20 30 DFEDLO C=CCCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000175206128 426287847 /nfs/dbraw/zinc/28/78/47/426287847.db2.gz MSWMMGGBBMTTKE-QGZVFWFLSA-N 1 2 302.418 2.532 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000176576976 426395568 /nfs/dbraw/zinc/39/55/68/426395568.db2.gz UZXIGEWGJAAKPJ-UHFFFAOYSA-N 1 2 310.401 2.543 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000176576976 426395569 /nfs/dbraw/zinc/39/55/69/426395569.db2.gz UZXIGEWGJAAKPJ-UHFFFAOYSA-N 1 2 310.401 2.543 20 30 DFEDLO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000092035332 426346561 /nfs/dbraw/zinc/34/65/61/426346561.db2.gz YOYSAURGZBSTCW-UHFFFAOYSA-N 1 2 317.352 2.526 20 30 DFEDLO C=CC[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361011 426347461 /nfs/dbraw/zinc/34/74/61/426347461.db2.gz IDVWTPDZJNKPRY-CQSZACIVSA-N 1 2 323.389 2.747 20 30 DFEDLO C=CC[N@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361011 426347464 /nfs/dbraw/zinc/34/74/64/426347464.db2.gz IDVWTPDZJNKPRY-CQSZACIVSA-N 1 2 323.389 2.747 20 30 DFEDLO C=CCCC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176545502 426392259 /nfs/dbraw/zinc/39/22/59/426392259.db2.gz SBYWEIQQXLBZBT-AWEZNQCLSA-N 1 2 308.447 2.546 20 30 DFEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCN1CC(F)F ZINC000153567950 426392418 /nfs/dbraw/zinc/39/24/18/426392418.db2.gz MQSWYPNPFDQJAP-MRXNPFEDSA-N 1 2 310.363 2.839 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC(F)F ZINC000153567950 426392422 /nfs/dbraw/zinc/39/24/22/426392422.db2.gz MQSWYPNPFDQJAP-MRXNPFEDSA-N 1 2 310.363 2.839 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000176985358 426430429 /nfs/dbraw/zinc/43/04/29/426430429.db2.gz HAFILUVPEPPWLU-AWEZNQCLSA-N 1 2 315.398 2.759 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000176985358 426430433 /nfs/dbraw/zinc/43/04/33/426430433.db2.gz HAFILUVPEPPWLU-AWEZNQCLSA-N 1 2 315.398 2.759 20 30 DFEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1nc(C2CC2)no1 ZINC000123386904 426431265 /nfs/dbraw/zinc/43/12/65/426431265.db2.gz UNLCPTITMRIAJS-UHFFFAOYSA-N 1 2 306.753 2.632 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000177120478 426444696 /nfs/dbraw/zinc/44/46/96/426444696.db2.gz OTBNVBYEKRAPKH-VIFPVBQESA-N 1 2 309.460 2.612 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000177120478 426444700 /nfs/dbraw/zinc/44/47/00/426444700.db2.gz OTBNVBYEKRAPKH-VIFPVBQESA-N 1 2 309.460 2.612 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000341134044 269044063 /nfs/dbraw/zinc/04/40/63/269044063.db2.gz HYVDTWFBTFARNO-NSHDSACASA-N 1 2 324.249 2.515 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)C(F)(F)F ZINC000341134044 269044062 /nfs/dbraw/zinc/04/40/62/269044062.db2.gz HYVDTWFBTFARNO-NSHDSACASA-N 1 2 324.249 2.515 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(SCC#N)c1 ZINC000154955485 426459810 /nfs/dbraw/zinc/45/98/10/426459810.db2.gz OWBACXSBMWRQGN-UHFFFAOYSA-N 1 2 314.414 2.661 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@@H]2C)c(C#N)c1C ZINC000177264941 426462296 /nfs/dbraw/zinc/46/22/96/426462296.db2.gz OESUDGPJNVXQOV-VIFPVBQESA-N 1 2 309.460 2.612 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c(C#N)c1C ZINC000177264941 426462299 /nfs/dbraw/zinc/46/22/99/426462299.db2.gz OESUDGPJNVXQOV-VIFPVBQESA-N 1 2 309.460 2.612 20 30 DFEDLO C=CCCOCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000155471531 426472156 /nfs/dbraw/zinc/47/21/56/426472156.db2.gz IWOBYACKAOOQOT-RMKNXTFCSA-N 1 2 311.385 2.594 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000098132751 426479725 /nfs/dbraw/zinc/47/97/25/426479725.db2.gz RZFUOQBYKVZLBH-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO N#Cc1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c(F)c1 ZINC000195028048 426499145 /nfs/dbraw/zinc/49/91/45/426499145.db2.gz NTSXSOQOBRWMHR-MRXNPFEDSA-N 1 2 307.332 2.695 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000186291226 426500253 /nfs/dbraw/zinc/50/02/53/426500253.db2.gz XKJGNVRUIDIVCJ-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC=C(F)C2)c(OC)c1 ZINC000272594843 426567489 /nfs/dbraw/zinc/56/74/89/426567489.db2.gz XSLCFFMXFRXAQX-MRXNPFEDSA-N 1 2 321.392 2.723 20 30 DFEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC=C(F)C2)c(OC)c1 ZINC000272594843 426567493 /nfs/dbraw/zinc/56/74/93/426567493.db2.gz XSLCFFMXFRXAQX-MRXNPFEDSA-N 1 2 321.392 2.723 20 30 DFEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264810731 426577479 /nfs/dbraw/zinc/57/74/79/426577479.db2.gz BDYZJXFMVUVGJG-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264810731 426577485 /nfs/dbraw/zinc/57/74/85/426577485.db2.gz BDYZJXFMVUVGJG-GOSISDBHSA-N 1 2 323.371 2.935 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178192576 426582941 /nfs/dbraw/zinc/58/29/41/426582941.db2.gz PVJGXBGHMKKAIA-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000280540023 426596244 /nfs/dbraw/zinc/59/62/44/426596244.db2.gz HWAUYKXCYZPBRS-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000265204567 426596779 /nfs/dbraw/zinc/59/67/79/426596779.db2.gz KBCQHWHCQZICNK-OAHLLOKOSA-N 1 2 313.445 2.885 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000273347960 426648960 /nfs/dbraw/zinc/64/89/60/426648960.db2.gz UUHHWZBNTNLOTA-INIZCTEOSA-N 1 2 306.369 2.847 20 30 DFEDLO C[C@H](c1cccc(NC(=O)C2(C#N)CCC2)c1)[NH+]1CCOCC1 ZINC000265532084 426651520 /nfs/dbraw/zinc/65/15/20/426651520.db2.gz PKSVHOROFAXFHW-CQSZACIVSA-N 1 2 313.401 2.712 20 30 DFEDLO C=C(Cl)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000265534409 426651905 /nfs/dbraw/zinc/65/19/05/426651905.db2.gz NZJXHEOVLCYGOY-CQSZACIVSA-N 1 2 310.850 2.645 20 30 DFEDLO CCN(CC)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265579126 426656773 /nfs/dbraw/zinc/65/67/73/426656773.db2.gz XZTNZLVRLYKQRS-HNNXBMFYSA-N 1 2 314.433 2.699 20 30 DFEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC3(C2)CCCCC3)cc1 ZINC000273464167 426668927 /nfs/dbraw/zinc/66/89/27/426668927.db2.gz BZCCTHWJOUHMQN-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273531990 426680794 /nfs/dbraw/zinc/68/07/94/426680794.db2.gz TTXOIZBNLICYKZ-ZBFHGGJFSA-N 1 2 322.449 2.932 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000273527860 426681247 /nfs/dbraw/zinc/68/12/47/426681247.db2.gz SGWVJMFPBQAVAF-GDBMZVCRSA-N 1 2 320.433 2.708 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000245758414 426769772 /nfs/dbraw/zinc/76/97/72/426769772.db2.gz IABCMHVCCAKFKJ-BBRMVZONSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000245758414 426769775 /nfs/dbraw/zinc/76/97/75/426769775.db2.gz IABCMHVCCAKFKJ-BBRMVZONSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000245798432 426771808 /nfs/dbraw/zinc/77/18/08/426771808.db2.gz OZOVCESPDLZRLH-QWHCGFSZSA-N 1 2 305.447 2.503 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000245798432 426771809 /nfs/dbraw/zinc/77/18/09/426771809.db2.gz OZOVCESPDLZRLH-QWHCGFSZSA-N 1 2 305.447 2.503 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)Cc1ccco1 ZINC000266755949 426773277 /nfs/dbraw/zinc/77/32/77/426773277.db2.gz RKEOCCGPJHBSQE-UHFFFAOYSA-N 1 2 305.422 2.890 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)Cc1ccco1 ZINC000266755949 426773283 /nfs/dbraw/zinc/77/32/83/426773283.db2.gz RKEOCCGPJHBSQE-UHFFFAOYSA-N 1 2 305.422 2.890 20 30 DFEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000274493157 426779697 /nfs/dbraw/zinc/77/96/97/426779697.db2.gz TWMSJCGSUUTVLD-NSHDSACASA-N 1 2 302.465 2.518 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000245938058 426784639 /nfs/dbraw/zinc/78/46/39/426784639.db2.gz ZVOPDELRFHLVNX-CJNGLKHVSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000245938058 426784643 /nfs/dbraw/zinc/78/46/43/426784643.db2.gz ZVOPDELRFHLVNX-CJNGLKHVSA-N 1 2 303.381 2.803 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000274349712 426751840 /nfs/dbraw/zinc/75/18/40/426751840.db2.gz OYHNBVOFGZZDFE-CYBMUJFWSA-N 1 2 309.479 2.614 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000266947051 426802331 /nfs/dbraw/zinc/80/23/31/426802331.db2.gz FOHCYEQSYHUALZ-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO C[NH+](C)[C@@H](CNc1cccnc1C#N)c1c(F)cccc1F ZINC000290670652 426816937 /nfs/dbraw/zinc/81/69/37/426816937.db2.gz RCCMXEOHUVMEBG-HNNXBMFYSA-N 1 2 302.328 2.946 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)cc1Br ZINC000266894266 426790774 /nfs/dbraw/zinc/79/07/74/426790774.db2.gz DQFIHJMWFNEBDG-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)cc1Br ZINC000266894266 426790778 /nfs/dbraw/zinc/79/07/78/426790778.db2.gz DQFIHJMWFNEBDG-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO C[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181123607 426918702 /nfs/dbraw/zinc/91/87/02/426918702.db2.gz OAKJJKSOTAVGFV-UHFFFAOYSA-N 1 2 321.380 2.738 20 30 DFEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000180764318 426889638 /nfs/dbraw/zinc/88/96/38/426889638.db2.gz PYPSULIJZXTSJY-QGZVFWFLSA-N 1 2 316.401 2.897 20 30 DFEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000180764318 426889649 /nfs/dbraw/zinc/88/96/49/426889649.db2.gz PYPSULIJZXTSJY-QGZVFWFLSA-N 1 2 316.401 2.897 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000247651316 426956664 /nfs/dbraw/zinc/95/66/64/426956664.db2.gz NGSHODAWKNAPOG-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H](C)CC ZINC000181629378 426969622 /nfs/dbraw/zinc/96/96/22/426969622.db2.gz ZRPPBHVLHXAXAN-XJKSGUPXSA-N 1 2 304.390 2.504 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)[C@@H](C)CC ZINC000181629459 426969985 /nfs/dbraw/zinc/96/99/85/426969985.db2.gz UALUKGXBTDUOSF-XJKSGUPXSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@H]1CCN(c2nc3c(cc2C#N)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000268277104 426974282 /nfs/dbraw/zinc/97/42/82/426974282.db2.gz QIJCUCPNDIFVHE-SUMWQHHRSA-N 1 2 307.401 2.726 20 30 DFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2=C(C)CCC2)nc[nH+]1 ZINC000328602008 426981596 /nfs/dbraw/zinc/98/15/96/426981596.db2.gz GLYGIPZJKDHKCP-CYBMUJFWSA-N 1 2 315.421 2.944 20 30 DFEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2=C(C)CCC2)[nH+]cn1 ZINC000328602008 426981600 /nfs/dbraw/zinc/98/16/00/426981600.db2.gz GLYGIPZJKDHKCP-CYBMUJFWSA-N 1 2 315.421 2.944 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS[C@H](C)[C@@H]1C)CCC2 ZINC000328658817 426984363 /nfs/dbraw/zinc/98/43/63/426984363.db2.gz RSIYKDPWOWWHAG-MJBXVCDLSA-N 1 2 322.478 2.809 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(C#N)s1 ZINC000181836047 426985260 /nfs/dbraw/zinc/98/52/60/426985260.db2.gz SUWKFXUOBNYSCA-QWRGUYRKSA-N 1 2 301.419 2.959 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000248876382 427055452 /nfs/dbraw/zinc/05/54/52/427055452.db2.gz VZWAYDGYTUDHGB-YEWWUXTCSA-N 1 2 323.396 2.584 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000248876382 427055456 /nfs/dbraw/zinc/05/54/56/427055456.db2.gz VZWAYDGYTUDHGB-YEWWUXTCSA-N 1 2 323.396 2.584 20 30 DFEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329164462 427058668 /nfs/dbraw/zinc/05/86/68/427058668.db2.gz GUTKXYOTEQRPJL-RDBSUJKOSA-N 1 2 306.410 2.808 20 30 DFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC(=O)N1 ZINC000328777268 426997152 /nfs/dbraw/zinc/99/71/52/426997152.db2.gz CZLGINIGLDRPPY-CYBMUJFWSA-N 1 2 302.378 2.516 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328832107 427005647 /nfs/dbraw/zinc/00/56/47/427005647.db2.gz VPCWWULAHDFJHB-UHFFFAOYSA-N 1 2 316.361 2.666 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCCO1 ZINC000328879620 427006016 /nfs/dbraw/zinc/00/60/16/427006016.db2.gz KCVVGXWLXYCOKM-NSHDSACASA-N 1 2 309.435 2.721 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCCO1 ZINC000328879620 427006025 /nfs/dbraw/zinc/00/60/25/427006025.db2.gz KCVVGXWLXYCOKM-NSHDSACASA-N 1 2 309.435 2.721 20 30 DFEDLO C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328893238 427009236 /nfs/dbraw/zinc/00/92/36/427009236.db2.gz ADEVGXZIMTWGIR-ZBFHGGJFSA-N 1 2 324.428 2.853 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCC1=O ZINC000328935907 427015424 /nfs/dbraw/zinc/01/54/24/427015424.db2.gz QNXAAPSTKQSDPA-NXEZZACHSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCC1=O ZINC000328935907 427015430 /nfs/dbraw/zinc/01/54/30/427015430.db2.gz QNXAAPSTKQSDPA-NXEZZACHSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)O1 ZINC000328992485 427022825 /nfs/dbraw/zinc/02/28/25/427022825.db2.gz FTTQFLQGPPGVBU-CTHBEMJXSA-N 1 2 321.421 2.658 20 30 DFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000329031495 427029590 /nfs/dbraw/zinc/02/95/90/427029590.db2.gz LKNVIVZNYGTUNN-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000329031495 427029597 /nfs/dbraw/zinc/02/95/97/427029597.db2.gz LKNVIVZNYGTUNN-JTQLQIEISA-N 1 2 322.315 2.734 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329059536 427033264 /nfs/dbraw/zinc/03/32/64/427033264.db2.gz JDNPXXBXDWTQBI-QAPCUYQASA-N 1 2 324.465 2.793 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329059536 427033274 /nfs/dbraw/zinc/03/32/74/427033274.db2.gz JDNPXXBXDWTQBI-QAPCUYQASA-N 1 2 324.465 2.793 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc2c(c1)COC2 ZINC000329065917 427038101 /nfs/dbraw/zinc/03/81/01/427038101.db2.gz LEPSVVDZKSKJKA-UHFFFAOYSA-N 1 2 312.373 2.776 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)COC1CCCC1)C1CCOCC1 ZINC000329086746 427039534 /nfs/dbraw/zinc/03/95/34/427039534.db2.gz 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/nfs/dbraw/zinc/04/41/13/428044113.db2.gz OANBORRDIWJEFN-HNNXBMFYSA-N 1 2 323.396 2.599 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000359848506 428044703 /nfs/dbraw/zinc/04/47/03/428044703.db2.gz CAMJVFCYEHKLBG-QGZVFWFLSA-N 1 2 320.820 2.982 20 30 DFEDLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359850825 428046632 /nfs/dbraw/zinc/04/66/32/428046632.db2.gz SIKZGMJVCHYXOX-LBPRGKRZSA-N 1 2 319.368 2.900 20 30 DFEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356195967 428062427 /nfs/dbraw/zinc/06/24/27/428062427.db2.gz SBZNHPRWALTKDG-UHFFFAOYSA-N 1 2 300.280 2.572 20 30 DFEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356195967 428062430 /nfs/dbraw/zinc/06/24/30/428062430.db2.gz SBZNHPRWALTKDG-UHFFFAOYSA-N 1 2 300.280 2.572 20 30 DFEDLO CCCCCCCCN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000369594559 428010619 /nfs/dbraw/zinc/01/06/19/428010619.db2.gz ZNZJWFLTDSOGND-UHFFFAOYSA-N 1 2 309.498 2.763 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000369917813 428089252 /nfs/dbraw/zinc/08/92/52/428089252.db2.gz DYNZRURCIVNGSF-SFHVURJKSA-N 1 2 323.371 2.588 20 30 DFEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000369917813 428089257 /nfs/dbraw/zinc/08/92/57/428089257.db2.gz DYNZRURCIVNGSF-SFHVURJKSA-N 1 2 323.371 2.588 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000377254627 428093720 /nfs/dbraw/zinc/09/37/20/428093720.db2.gz VZWXJEWDYUWQGB-SFHVURJKSA-N 1 2 322.364 2.860 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000377254627 428093725 /nfs/dbraw/zinc/09/37/25/428093725.db2.gz VZWXJEWDYUWQGB-SFHVURJKSA-N 1 2 322.364 2.860 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnnn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000369998838 428106131 /nfs/dbraw/zinc/10/61/31/428106131.db2.gz PPUCLZXXYFEDDM-CYBMUJFWSA-N 1 2 318.384 2.600 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2n1C ZINC000356197547 428063250 /nfs/dbraw/zinc/06/32/50/428063250.db2.gz XKYJWYSCXLPSJY-UHFFFAOYSA-N 1 2 322.343 2.823 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000360070392 428142408 /nfs/dbraw/zinc/14/24/08/428142408.db2.gz HQFCKYLSRIDYNB-JLJPHGGASA-N 1 2 323.400 2.925 20 30 DFEDLO CN(C)c1[nH+]cccc1CNc1cc(C#N)c2ccccc2n1 ZINC000346405090 428158766 /nfs/dbraw/zinc/15/87/66/428158766.db2.gz RZXSGQRPHOMRJR-UHFFFAOYSA-N 1 2 303.369 3.180 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[C@H]2C#N)c1C ZINC000360084635 428154335 /nfs/dbraw/zinc/15/43/35/428154335.db2.gz UKKFNUWFLBJGNS-UONOGXRCSA-N 1 2 316.405 2.541 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000346541254 428210280 /nfs/dbraw/zinc/21/02/80/428210280.db2.gz YADBHFPLTHFZKI-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000346541254 428210283 /nfs/dbraw/zinc/21/02/83/428210283.db2.gz YADBHFPLTHFZKI-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352685514 428203833 /nfs/dbraw/zinc/20/38/33/428203833.db2.gz IWGIGEWBKXZGCZ-GXTWGEPZSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352685514 428203838 /nfs/dbraw/zinc/20/38/38/428203838.db2.gz IWGIGEWBKXZGCZ-GXTWGEPZSA-N 1 2 316.298 2.690 20 30 DFEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000352830196 428267476 /nfs/dbraw/zinc/26/74/76/428267476.db2.gz BSUWSLZTUFOXNX-UHFFFAOYSA-N 1 2 302.359 2.948 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000341992345 428272669 /nfs/dbraw/zinc/27/26/69/428272669.db2.gz IGFCVFUBHCSOBK-LLVKDONJSA-N 1 2 324.327 2.987 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000341992346 428273018 /nfs/dbraw/zinc/27/30/18/428273018.db2.gz IGFCVFUBHCSOBK-NSHDSACASA-N 1 2 324.327 2.987 20 30 DFEDLO Cc1ccc([C@H](CNCc2nc(C#N)cs2)[NH+]2CCCC2)o1 ZINC000352837335 428273679 /nfs/dbraw/zinc/27/36/79/428273679.db2.gz ZNCLBQFZJWMWRB-AWEZNQCLSA-N 1 2 316.430 2.843 20 30 DFEDLO Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(C#N)c2)nn1 ZINC000342080256 428295329 /nfs/dbraw/zinc/29/53/29/428295329.db2.gz HSJMBDWSNGXHNX-UHFFFAOYSA-N 1 2 303.369 2.737 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000370575644 428244810 /nfs/dbraw/zinc/24/48/10/428244810.db2.gz KPMNUZQDOMKETJ-ZDUSSCGKSA-N 1 2 300.749 2.912 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000414494453 428318839 /nfs/dbraw/zinc/31/88/39/428318839.db2.gz VOZAFCNMWLDKOT-LBPRGKRZSA-N 1 2 303.406 2.591 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000414494453 428318843 /nfs/dbraw/zinc/31/88/43/428318843.db2.gz VOZAFCNMWLDKOT-LBPRGKRZSA-N 1 2 303.406 2.591 20 30 DFEDLO CCOc1ccc([C@@H](COC)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352944129 428322805 /nfs/dbraw/zinc/32/28/05/428322805.db2.gz OKHIGQZJBQWWLO-OAHLLOKOSA-N 1 2 317.414 2.891 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378195059 428330594 /nfs/dbraw/zinc/33/05/94/428330594.db2.gz RIBBEJFRKYENJB-MRXNPFEDSA-N 1 2 322.368 2.947 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346819834 428331088 /nfs/dbraw/zinc/33/10/88/428331088.db2.gz HNYREDNJGZDJMP-LLVKDONJSA-N 1 2 307.344 2.520 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346819834 428331092 /nfs/dbraw/zinc/33/10/92/428331092.db2.gz HNYREDNJGZDJMP-LLVKDONJSA-N 1 2 307.344 2.520 20 30 DFEDLO N#CC1(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2)CCC1 ZINC000346868886 428352813 /nfs/dbraw/zinc/35/28/13/428352813.db2.gz JHEHWXUPEAZODP-UHFFFAOYSA-N 1 2 323.396 2.844 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2)CCC1 ZINC000346868886 428352819 /nfs/dbraw/zinc/35/28/19/428352819.db2.gz JHEHWXUPEAZODP-UHFFFAOYSA-N 1 2 323.396 2.844 20 30 DFEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000371552496 428395445 /nfs/dbraw/zinc/39/54/45/428395445.db2.gz IUYCJQPBMFUDQG-UHFFFAOYSA-N 1 2 313.351 2.534 20 30 DFEDLO C=CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000371886647 428409071 /nfs/dbraw/zinc/40/90/71/428409071.db2.gz XBOVRCAWNJFJOM-QGZVFWFLSA-N 1 2 313.401 2.991 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360594212 428361571 /nfs/dbraw/zinc/36/15/71/428361571.db2.gz HPDOFYJBIRPATE-UHFFFAOYSA-N 1 2 303.381 2.804 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360594212 428361575 /nfs/dbraw/zinc/36/15/75/428361575.db2.gz HPDOFYJBIRPATE-UHFFFAOYSA-N 1 2 303.381 2.804 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000378337023 428368996 /nfs/dbraw/zinc/36/89/96/428368996.db2.gz UROBSWNIAQADKI-UHFFFAOYSA-N 1 2 305.447 2.700 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000378337023 428369001 /nfs/dbraw/zinc/36/90/01/428369001.db2.gz UROBSWNIAQADKI-UHFFFAOYSA-N 1 2 305.447 2.700 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342619357 428435903 /nfs/dbraw/zinc/43/59/03/428435903.db2.gz MPOFYUIDXGDYJG-SOUVJXGZSA-N 1 2 320.458 2.514 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342619357 428435908 /nfs/dbraw/zinc/43/59/08/428435908.db2.gz MPOFYUIDXGDYJG-SOUVJXGZSA-N 1 2 320.458 2.514 20 30 DFEDLO C=CCSCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372398078 428438530 /nfs/dbraw/zinc/43/85/30/428438530.db2.gz YFXZTZQVDIWTDV-GFCCVEGCSA-N 1 2 307.463 2.673 20 30 DFEDLO C=CCSCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372398078 428438534 /nfs/dbraw/zinc/43/85/34/428438534.db2.gz YFXZTZQVDIWTDV-GFCCVEGCSA-N 1 2 307.463 2.673 20 30 DFEDLO Cc1[nH]c2ccc(CSc3nc(N)c(C#N)cc3C#N)cc2[nH+]1 ZINC000342689745 428439848 /nfs/dbraw/zinc/43/98/48/428439848.db2.gz VQLARJIBBVLBCM-UHFFFAOYSA-N 1 2 320.381 2.884 20 30 DFEDLO Cc1[nH]c2cc(CSc3nc(N)c(C#N)cc3C#N)ccc2[nH+]1 ZINC000342689745 428439853 /nfs/dbraw/zinc/43/98/53/428439853.db2.gz VQLARJIBBVLBCM-UHFFFAOYSA-N 1 2 320.381 2.884 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC(C)(C)C#N)C2 ZINC000353250131 428449520 /nfs/dbraw/zinc/44/95/20/428449520.db2.gz MEANPNIOAGGECL-GFCCVEGCSA-N 1 2 302.422 2.646 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC(C)(C)C#N)CC2 ZINC000353250131 428449526 /nfs/dbraw/zinc/44/95/26/428449526.db2.gz MEANPNIOAGGECL-GFCCVEGCSA-N 1 2 302.422 2.646 20 30 DFEDLO CN(CC#N)C(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000347039008 428419228 /nfs/dbraw/zinc/41/92/28/428419228.db2.gz LLHJOSLWSUQDDD-OAHLLOKOSA-N 1 2 323.799 2.988 20 30 DFEDLO Cc1cccn2cc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)[nH+]c12 ZINC000342533754 428433232 /nfs/dbraw/zinc/43/32/32/428433232.db2.gz BQMZXELVJUPCEH-UHFFFAOYSA-N 1 2 322.328 2.617 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cn[nH]c1 ZINC000347187056 428486045 /nfs/dbraw/zinc/48/60/45/428486045.db2.gz DIJALWSJSVVYFE-SECBINFHSA-N 1 2 305.179 2.895 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cn[nH]c1 ZINC000347187057 428486923 /nfs/dbraw/zinc/48/69/23/428486923.db2.gz DIJALWSJSVVYFE-VIFPVBQESA-N 1 2 305.179 2.895 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000372718844 428492857 /nfs/dbraw/zinc/49/28/57/428492857.db2.gz RKGYFMZVTNOCFR-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]1c1ccccc1F ZINC000372718844 428492863 /nfs/dbraw/zinc/49/28/63/428492863.db2.gz RKGYFMZVTNOCFR-XJKSGUPXSA-N 1 2 303.381 2.581 20 30 DFEDLO CCc1nnc(NC[C@H]2CCCn3cc(C)[nH+]c32)c(C#N)c1CC ZINC000372741414 428498503 /nfs/dbraw/zinc/49/85/03/428498503.db2.gz NEYBOMLFZRHPIC-CYBMUJFWSA-N 1 2 324.432 2.968 20 30 DFEDLO C#CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000372758840 428501900 /nfs/dbraw/zinc/50/19/00/428501900.db2.gz CNKUFAYAQATVNH-WBAXXEDZSA-N 1 2 322.412 2.823 20 30 DFEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000372861383 428503608 /nfs/dbraw/zinc/50/36/08/428503608.db2.gz BTPZVTFLSDAQHF-MRXNPFEDSA-N 1 2 322.412 2.581 20 30 DFEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017831 428512042 /nfs/dbraw/zinc/51/20/42/428512042.db2.gz GPJOUPWKPBDIAS-NYHFZMIOSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017831 428512046 /nfs/dbraw/zinc/51/20/46/428512046.db2.gz GPJOUPWKPBDIAS-NYHFZMIOSA-N 1 2 320.458 2.712 20 30 DFEDLO Cc1cccc2[nH+]cc(CN(CCC#N)Cc3ccccn3)n21 ZINC000353422890 428528303 /nfs/dbraw/zinc/52/83/03/428528303.db2.gz OSUUGAPFDBLBIC-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000361635343 428584836 /nfs/dbraw/zinc/58/48/36/428584836.db2.gz DSFZULFUPUUTDZ-UHFFFAOYSA-N 1 2 324.787 2.694 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000361635343 428584840 /nfs/dbraw/zinc/58/48/40/428584840.db2.gz DSFZULFUPUUTDZ-UHFFFAOYSA-N 1 2 324.787 2.694 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCCOC2)O1 ZINC000373470911 428585106 /nfs/dbraw/zinc/58/51/06/428585106.db2.gz UYBZROJNLHFZRZ-FUHWJXTLSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@]2(CCCOC2)O1 ZINC000373470911 428585108 /nfs/dbraw/zinc/58/51/08/428585108.db2.gz UYBZROJNLHFZRZ-FUHWJXTLSA-N 1 2 318.392 2.857 20 30 DFEDLO CC#CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000361645825 428586387 /nfs/dbraw/zinc/58/63/87/428586387.db2.gz FNJMKYAFAWCYHH-ZWKOTPCHSA-N 1 2 322.412 2.824 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)OC ZINC000361110908 428538049 /nfs/dbraw/zinc/53/80/49/428538049.db2.gz RPULJLFJBKETTM-KSZLIROESA-N 1 2 317.429 2.732 20 30 DFEDLO Cn1nccc1[C@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000343278252 428542696 /nfs/dbraw/zinc/54/26/96/428542696.db2.gz GZQBKWRWJWBOIO-PBHICJAKSA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1nccc1[C@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000343278252 428542700 /nfs/dbraw/zinc/54/27/00/428542700.db2.gz GZQBKWRWJWBOIO-PBHICJAKSA-N 1 2 314.389 2.507 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357572280 428548822 /nfs/dbraw/zinc/54/88/22/428548822.db2.gz RBVAVRLRWGYRMW-DZGCQCFKSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357572280 428548824 /nfs/dbraw/zinc/54/88/24/428548824.db2.gz RBVAVRLRWGYRMW-DZGCQCFKSA-N 1 2 320.458 2.606 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347333072 428549700 /nfs/dbraw/zinc/54/97/00/428549700.db2.gz AMFOYYYQRVURBN-WMLDXEAASA-N 1 2 303.381 2.756 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347333072 428549702 /nfs/dbraw/zinc/54/97/02/428549702.db2.gz AMFOYYYQRVURBN-WMLDXEAASA-N 1 2 303.381 2.756 20 30 DFEDLO Cc1ccn2cc(CNc3ncc(Cl)c(C)c3C#N)[nH+]c2c1 ZINC000343517145 428552328 /nfs/dbraw/zinc/55/23/28/428552328.db2.gz WKYHDHKRXZVPOL-UHFFFAOYSA-N 1 2 311.776 3.483 20 30 DFEDLO CC(C)(CCC#N)C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000361263636 428552390 /nfs/dbraw/zinc/55/23/90/428552390.db2.gz UTQXFVJJBBIUSU-UHFFFAOYSA-N 1 2 303.381 2.804 20 30 DFEDLO CC(C)(CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000361263636 428552394 /nfs/dbraw/zinc/55/23/94/428552394.db2.gz UTQXFVJJBBIUSU-UHFFFAOYSA-N 1 2 303.381 2.804 20 30 DFEDLO Cc1ccc2[nH+]c(CNc3ncc(Cl)c(C)c3C#N)cn2c1 ZINC000343524125 428553827 /nfs/dbraw/zinc/55/38/27/428553827.db2.gz YVULHIPRZKMQGG-UHFFFAOYSA-N 1 2 311.776 3.483 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347340696 428554485 /nfs/dbraw/zinc/55/44/85/428554485.db2.gz FSRLZVYQMGOPGE-BONVTDFDSA-N 1 2 309.772 2.973 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347340696 428554490 /nfs/dbraw/zinc/55/44/90/428554490.db2.gz FSRLZVYQMGOPGE-BONVTDFDSA-N 1 2 309.772 2.973 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000373393291 428564000 /nfs/dbraw/zinc/56/40/00/428564000.db2.gz OPKBBGZZJUHMDM-LSDHHAIUSA-N 1 2 320.437 2.848 20 30 DFEDLO CC(C)c1nc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cs1 ZINC000373401541 428566449 /nfs/dbraw/zinc/56/64/49/428566449.db2.gz ZEMPBZOIOKCAMR-UHFFFAOYSA-N 1 2 316.434 2.567 20 30 DFEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCC1 ZINC000361486925 428571520 /nfs/dbraw/zinc/57/15/20/428571520.db2.gz STYUBYOIFYMUCN-SFHVURJKSA-N 1 2 313.445 2.656 20 30 DFEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCC1 ZINC000361486925 428571523 /nfs/dbraw/zinc/57/15/23/428571523.db2.gz STYUBYOIFYMUCN-SFHVURJKSA-N 1 2 313.445 2.656 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(-c2cccc(SCC#N)c2)n1 ZINC000357929467 428572287 /nfs/dbraw/zinc/57/22/87/428572287.db2.gz DSKPKRTYSXFSDU-UHFFFAOYSA-N 1 2 311.370 2.677 20 30 DFEDLO O=C1OCC[C@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]12 ZINC000373445829 428579122 /nfs/dbraw/zinc/57/91/22/428579122.db2.gz ARIVSBFXHVKIGW-HIFRSBDPSA-N 1 2 323.314 2.694 20 30 DFEDLO O=C1OCC[C@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]12 ZINC000373445829 428579126 /nfs/dbraw/zinc/57/91/26/428579126.db2.gz ARIVSBFXHVKIGW-HIFRSBDPSA-N 1 2 323.314 2.694 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000358061208 428579711 /nfs/dbraw/zinc/57/97/11/428579711.db2.gz GXSCNKYNJJECOJ-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000358061208 428579718 /nfs/dbraw/zinc/57/97/18/428579718.db2.gz GXSCNKYNJJECOJ-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1sccc1C#N)C2 ZINC000361843864 428601305 /nfs/dbraw/zinc/60/13/05/428601305.db2.gz RXXMZKJJLFODSU-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1sccc1C#N)C2 ZINC000361843864 428601309 /nfs/dbraw/zinc/60/13/09/428601309.db2.gz RXXMZKJJLFODSU-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000347708684 428621882 /nfs/dbraw/zinc/62/18/82/428621882.db2.gz RULYUJQKNIZBEN-MJBXVCDLSA-N 1 2 301.390 2.694 20 30 DFEDLO C=CCOCCCN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000348040526 428634679 /nfs/dbraw/zinc/63/46/79/428634679.db2.gz VUZGYUOLVJVAGR-QGZVFWFLSA-N 1 2 318.461 2.967 20 30 DFEDLO CC[C@H](NC(=O)CSc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347967090 428633009 /nfs/dbraw/zinc/63/30/09/428633009.db2.gz QGQFCNWDRYRQOJ-ZDUSSCGKSA-N 1 2 300.387 2.641 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1OC ZINC000347938161 428633916 /nfs/dbraw/zinc/63/39/16/428633916.db2.gz AVFVEPSKASUUDK-CYBMUJFWSA-N 1 2 315.373 2.864 20 30 DFEDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000373811436 428649664 /nfs/dbraw/zinc/64/96/64/428649664.db2.gz FCKVWUXVUBJSLR-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H]1CCOCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000373811436 428649669 /nfs/dbraw/zinc/64/96/69/428649669.db2.gz FCKVWUXVUBJSLR-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373985812 428657866 /nfs/dbraw/zinc/65/78/66/428657866.db2.gz ZTKGTEPAYMNCIQ-AGIUHOORSA-N 1 2 304.228 2.553 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373985812 428657870 /nfs/dbraw/zinc/65/78/70/428657870.db2.gz ZTKGTEPAYMNCIQ-AGIUHOORSA-N 1 2 304.228 2.553 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000373871894 428652572 /nfs/dbraw/zinc/65/25/72/428652572.db2.gz YXVMYWMSVMZMMV-CQSZACIVSA-N 1 2 313.467 2.889 20 30 DFEDLO C=CC[C@H](CC)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373996166 428661053 /nfs/dbraw/zinc/66/10/53/428661053.db2.gz ULHGRVITWODTQQ-ZDUSSCGKSA-N 1 2 322.478 2.761 20 30 DFEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000353781493 428711372 /nfs/dbraw/zinc/71/13/72/428711372.db2.gz WYQHIERVRFQYAE-OAHLLOKOSA-N 1 2 305.765 2.791 20 30 DFEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nnnn1-c1ccccc1 ZINC000348357956 428716931 /nfs/dbraw/zinc/71/69/31/428716931.db2.gz PSVPNBXSHXWBGH-GFCCVEGCSA-N 1 2 322.347 2.524 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416398263 428731946 /nfs/dbraw/zinc/73/19/46/428731946.db2.gz MIBFWZLWPFVLNM-SUMWQHHRSA-N 1 2 323.400 2.520 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374367741 428677969 /nfs/dbraw/zinc/67/79/69/428677969.db2.gz XBPNARHRJSKEEV-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374367741 428677973 /nfs/dbraw/zinc/67/79/73/428677973.db2.gz XBPNARHRJSKEEV-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(C)C)C1=O ZINC000411194126 428756816 /nfs/dbraw/zinc/75/68/16/428756816.db2.gz POSFPRHKYKSIFE-INIZCTEOSA-N 1 2 317.389 2.592 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(C)C)C1=O ZINC000411194126 428756819 /nfs/dbraw/zinc/75/68/19/428756819.db2.gz POSFPRHKYKSIFE-INIZCTEOSA-N 1 2 317.389 2.592 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(CC)CC ZINC000411199354 428759524 /nfs/dbraw/zinc/75/95/24/428759524.db2.gz ZJQWSDYCBZIXNK-CQSZACIVSA-N 1 2 319.405 2.840 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(CC)CC ZINC000411199354 428759528 /nfs/dbraw/zinc/75/95/28/428759528.db2.gz ZJQWSDYCBZIXNK-CQSZACIVSA-N 1 2 319.405 2.840 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[nH]1 ZINC000411222865 428761866 /nfs/dbraw/zinc/76/18/66/428761866.db2.gz JKXYHDRHQRWDTL-LBPRGKRZSA-N 1 2 311.389 2.589 20 30 DFEDLO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000411316136 428776440 /nfs/dbraw/zinc/77/64/40/428776440.db2.gz KSCLVWJZAACICJ-ZDUSSCGKSA-N 1 2 305.809 2.676 20 30 DFEDLO C[C@@H](CCC#N)[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000411316136 428776446 /nfs/dbraw/zinc/77/64/46/428776446.db2.gz KSCLVWJZAACICJ-ZDUSSCGKSA-N 1 2 305.809 2.676 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362521567 428784528 /nfs/dbraw/zinc/78/45/28/428784528.db2.gz VBGIWOUHCIRZRV-SFHVURJKSA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362521567 428784534 /nfs/dbraw/zinc/78/45/34/428784534.db2.gz VBGIWOUHCIRZRV-SFHVURJKSA-N 1 2 317.429 2.879 20 30 DFEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000374766640 428747265 /nfs/dbraw/zinc/74/72/65/428747265.db2.gz LYKAQELIVFZEOB-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000374766640 428747270 /nfs/dbraw/zinc/74/72/70/428747270.db2.gz LYKAQELIVFZEOB-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000362654708 428797171 /nfs/dbraw/zinc/79/71/71/428797171.db2.gz ZUBARORIZHUAGH-ROUUACIJSA-N 1 2 321.428 2.814 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000362654708 428797177 /nfs/dbraw/zinc/79/71/77/428797177.db2.gz ZUBARORIZHUAGH-ROUUACIJSA-N 1 2 321.428 2.814 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411481174 428806604 /nfs/dbraw/zinc/80/66/04/428806604.db2.gz AMUZIWMYYKSZNK-CABCVRRESA-N 1 2 308.422 2.503 20 30 DFEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411481174 428806609 /nfs/dbraw/zinc/80/66/09/428806609.db2.gz AMUZIWMYYKSZNK-CABCVRRESA-N 1 2 308.422 2.503 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000354120620 428870596 /nfs/dbraw/zinc/87/05/96/428870596.db2.gz UNJQXQGXNGVKHP-UHFFFAOYSA-N 1 2 311.385 2.994 20 30 DFEDLO CCc1nc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)no1 ZINC000363466766 428922004 /nfs/dbraw/zinc/92/20/04/428922004.db2.gz DIYJBHMTBMRBOT-CQSZACIVSA-N 1 2 312.373 2.720 20 30 DFEDLO CCc1nc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)no1 ZINC000363466766 428922010 /nfs/dbraw/zinc/92/20/10/428922010.db2.gz DIYJBHMTBMRBOT-CQSZACIVSA-N 1 2 312.373 2.720 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419014910 428926968 /nfs/dbraw/zinc/92/69/68/428926968.db2.gz LHEQWMNCIPZMAC-LRDDRELGSA-N 1 2 323.400 2.630 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC000419014910 428926972 /nfs/dbraw/zinc/92/69/72/428926972.db2.gz LHEQWMNCIPZMAC-LRDDRELGSA-N 1 2 323.400 2.630 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(C#N)CCC2)c1C ZINC000419626969 428937224 /nfs/dbraw/zinc/93/72/24/428937224.db2.gz NSOMKIONTUYIFB-UHFFFAOYSA-N 1 2 316.405 2.542 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000349249348 428950581 /nfs/dbraw/zinc/95/05/81/428950581.db2.gz WWHBUZPSKVRBNY-UWVGGRQHSA-N 1 2 318.764 2.877 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(Br)cc1C#N)C2 ZINC000363677151 428968406 /nfs/dbraw/zinc/96/84/06/428968406.db2.gz YAWYVOUSYCKTOZ-UHFFFAOYSA-N 1 2 317.190 2.617 20 30 DFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@]23CCOC3)c2ccccc21 ZINC000421022096 428979160 /nfs/dbraw/zinc/97/91/60/428979160.db2.gz PPOYDSRVQYQXKB-IBGZPJMESA-N 1 2 323.396 2.602 20 30 DFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@]23CCOC3)c2ccccc21 ZINC000421022096 428979165 /nfs/dbraw/zinc/97/91/65/428979165.db2.gz PPOYDSRVQYQXKB-IBGZPJMESA-N 1 2 323.396 2.602 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000453627316 429155357 /nfs/dbraw/zinc/15/53/57/429155357.db2.gz VTIFVSWXZFWJFY-HNNXBMFYSA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000453627316 429155360 /nfs/dbraw/zinc/15/53/60/429155360.db2.gz VTIFVSWXZFWJFY-HNNXBMFYSA-N 1 2 307.419 2.568 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)nn1 ZINC000424175164 429104059 /nfs/dbraw/zinc/10/40/59/429104059.db2.gz SRTMDCCVKJMRKP-UHFFFAOYSA-N 1 2 302.325 2.834 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cscc2Br)nn1 ZINC000424175885 429104844 /nfs/dbraw/zinc/10/48/44/429104844.db2.gz VVJYINGUWGPAGN-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(OCCC)c2)nn1 ZINC000424175548 429105049 /nfs/dbraw/zinc/10/50/49/429105049.db2.gz VCZGVFRZQWBXLD-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)s1 ZINC000424196085 429109452 /nfs/dbraw/zinc/10/94/52/429109452.db2.gz FNYGUWQEJYLIPW-MRVPVSSYSA-N 1 2 307.400 2.714 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000424293247 429121848 /nfs/dbraw/zinc/12/18/48/429121848.db2.gz IGWUBCWMLZLKLR-GFCCVEGCSA-N 1 2 301.350 2.532 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)nn1 ZINC000424300625 429122541 /nfs/dbraw/zinc/12/25/41/429122541.db2.gz YCPCMAGULGSNAZ-KRWDZBQOSA-N 1 2 316.380 2.853 20 30 DFEDLO N#Cc1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000413021536 429122914 /nfs/dbraw/zinc/12/29/14/429122914.db2.gz BSDWZFUFKXMYRB-QPJJXVBHSA-N 1 2 322.387 2.928 20 30 DFEDLO N#Cc1cccc(C2(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)c1 ZINC000435351100 429133894 /nfs/dbraw/zinc/13/38/94/429133894.db2.gz SAGPBRICYZBNFY-UHFFFAOYSA-N 1 2 316.364 2.554 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])CCC2 ZINC000364073017 429165440 /nfs/dbraw/zinc/16/54/40/429165440.db2.gz DOYZFPQOUOHXSH-CYBMUJFWSA-N 1 2 311.345 2.961 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454754764 429172529 /nfs/dbraw/zinc/17/25/29/429172529.db2.gz SHUWGDRGEFQGIC-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454754764 429172532 /nfs/dbraw/zinc/17/25/32/429172532.db2.gz SHUWGDRGEFQGIC-JKSUJKDBSA-N 1 2 323.387 2.975 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NCc3ccc[nH+]c3N(C)C)c2c1 ZINC000487921798 429172684 /nfs/dbraw/zinc/17/26/84/429172684.db2.gz SXRJMDCKEASRDP-UHFFFAOYSA-N 1 2 317.396 2.910 20 30 DFEDLO Cc1nc(NCc2[nH+]ccn2CCc2ccccc2)ccc1C#N ZINC000488119152 429176183 /nfs/dbraw/zinc/17/61/83/429176183.db2.gz AAJSUEDHAPLIJQ-UHFFFAOYSA-N 1 2 317.396 3.313 20 30 DFEDLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000488063935 429176851 /nfs/dbraw/zinc/17/68/51/429176851.db2.gz KSHDWDZGPPWVJJ-UHFFFAOYSA-N 1 2 307.332 3.199 20 30 DFEDLO C=CCC1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCOCC1 ZINC000424726170 429181247 /nfs/dbraw/zinc/18/12/47/429181247.db2.gz TVHMQUYVRQNFLR-UHFFFAOYSA-N 1 2 313.401 2.632 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455526862 429191132 /nfs/dbraw/zinc/19/11/32/429191132.db2.gz UHLRJWQKELQCOU-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO CCCCNc1cc(N(C)Cc2cccc(C#N)c2)nc(N)[nH+]1 ZINC000439099684 429216075 /nfs/dbraw/zinc/21/60/75/429216075.db2.gz MFBQMSIWBCWZIE-UHFFFAOYSA-N 1 2 310.405 2.779 20 30 DFEDLO CCCCNc1cc(N(C)Cc2cccc(C#N)c2)[nH+]c(N)n1 ZINC000439099684 429216082 /nfs/dbraw/zinc/21/60/82/429216082.db2.gz MFBQMSIWBCWZIE-UHFFFAOYSA-N 1 2 310.405 2.779 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000439458401 429218313 /nfs/dbraw/zinc/21/83/13/429218313.db2.gz TWCMJLLMBGKFJG-HYVNUMGLSA-N 1 2 320.820 2.980 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000439458401 429218315 /nfs/dbraw/zinc/21/83/15/429218315.db2.gz TWCMJLLMBGKFJG-HYVNUMGLSA-N 1 2 320.820 2.980 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(N(CCOC)C(C)=O)n1 ZINC000489447750 429242774 /nfs/dbraw/zinc/24/27/74/429242774.db2.gz KZMXYJHBBFCZIE-HNNXBMFYSA-N 1 2 323.462 2.683 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(N(CCOC)C(C)=O)n1 ZINC000489447750 429242777 /nfs/dbraw/zinc/24/27/77/429242777.db2.gz KZMXYJHBBFCZIE-HNNXBMFYSA-N 1 2 323.462 2.683 20 30 DFEDLO CCOC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1 ZINC000425215356 429245979 /nfs/dbraw/zinc/24/59/79/429245979.db2.gz MXSCRCGDSAFOQI-INIZCTEOSA-N 1 2 323.396 2.518 20 30 DFEDLO Cc1cc(N2CCCN(C(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425207418 429246658 /nfs/dbraw/zinc/24/66/58/429246658.db2.gz LKAUYIGTFIIVCH-UHFFFAOYSA-N 1 2 320.396 2.614 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)ccc1OC ZINC000489506421 429248525 /nfs/dbraw/zinc/24/85/25/429248525.db2.gz GVYOEOHMGSNDOG-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)ccc1OC ZINC000489506421 429248530 /nfs/dbraw/zinc/24/85/30/429248530.db2.gz GVYOEOHMGSNDOG-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO COc1ccccc1OC[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425244048 429250793 /nfs/dbraw/zinc/25/07/93/429250793.db2.gz GTOCENYHIUXITQ-CYBMUJFWSA-N 1 2 311.385 2.819 20 30 DFEDLO COc1ccc(OC)c(CCCNc2cc(C)[nH+]cc2C#N)c1 ZINC000425245430 429251187 /nfs/dbraw/zinc/25/11/87/429251187.db2.gz JEWZIYKSNILSAL-UHFFFAOYSA-N 1 2 311.385 2.746 20 30 DFEDLO Cc1cc(NC[C@H]2CCN(c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425266017 429254926 /nfs/dbraw/zinc/25/49/26/429254926.db2.gz GPBDXNPSRBJQAY-CQSZACIVSA-N 1 2 310.376 2.761 20 30 DFEDLO C=C[C@@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443554408 429256127 /nfs/dbraw/zinc/25/61/27/429256127.db2.gz UZCASWGYKQIOAT-GFCCVEGCSA-N 1 2 307.825 2.572 20 30 DFEDLO C=C[C@@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443554408 429256131 /nfs/dbraw/zinc/25/61/31/429256131.db2.gz UZCASWGYKQIOAT-GFCCVEGCSA-N 1 2 307.825 2.572 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000448856583 429320865 /nfs/dbraw/zinc/32/08/65/429320865.db2.gz BFGBIJNYCDSUSM-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000448856583 429320867 /nfs/dbraw/zinc/32/08/67/429320867.db2.gz BFGBIJNYCDSUSM-UHFFFAOYSA-N 1 2 308.466 2.740 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(COCC)c1c(C)cccc1CC ZINC000491043496 429320836 /nfs/dbraw/zinc/32/08/36/429320836.db2.gz CKKHLYLUJFFJFB-MRXNPFEDSA-N 1 2 316.445 2.838 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(COCC)c1c(C)cccc1CC ZINC000491043496 429320840 /nfs/dbraw/zinc/32/08/40/429320840.db2.gz CKKHLYLUJFFJFB-MRXNPFEDSA-N 1 2 316.445 2.838 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)OC)cn1 ZINC000491071940 429323089 /nfs/dbraw/zinc/32/30/89/429323089.db2.gz OUSFOCOXUQKKHD-UHFFFAOYSA-N 1 2 312.344 2.643 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)OC)cn1 ZINC000491071940 429323092 /nfs/dbraw/zinc/32/30/92/429323092.db2.gz OUSFOCOXUQKKHD-UHFFFAOYSA-N 1 2 312.344 2.643 20 30 DFEDLO Cc1ccc(N2CC[N@H+](CCCCC(C)(C)C#N)CC2=O)o1 ZINC000365464346 429324868 /nfs/dbraw/zinc/32/48/68/429324868.db2.gz QSLBNJYHGPXYHM-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO Cc1ccc(N2CC[N@@H+](CCCCC(C)(C)C#N)CC2=O)o1 ZINC000365464346 429324873 /nfs/dbraw/zinc/32/48/73/429324873.db2.gz QSLBNJYHGPXYHM-UHFFFAOYSA-N 1 2 303.406 2.957 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000491241270 429338407 /nfs/dbraw/zinc/33/84/07/429338407.db2.gz IBPNTVBBCPOFLM-MRXNPFEDSA-N 1 2 324.428 2.674 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000491241270 429338410 /nfs/dbraw/zinc/33/84/10/429338410.db2.gz IBPNTVBBCPOFLM-MRXNPFEDSA-N 1 2 324.428 2.674 20 30 DFEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456706199 429340196 /nfs/dbraw/zinc/34/01/96/429340196.db2.gz VHMVKQLZHPIGKX-PIGZYNQJSA-N 1 2 314.389 2.776 20 30 DFEDLO N#Cc1cccc(C#N)c1N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365557934 429341053 /nfs/dbraw/zinc/34/10/53/429341053.db2.gz QWYYVQMLEUDTES-MRXNPFEDSA-N 1 2 303.369 2.906 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491278632 429343288 /nfs/dbraw/zinc/34/32/88/429343288.db2.gz UPUPXFVXJWBUTN-LBPRGKRZSA-N 1 2 304.781 2.589 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000446849753 429301596 /nfs/dbraw/zinc/30/15/96/429301596.db2.gz QIOAGLKLYLQIES-UHFFFAOYSA-N 1 2 323.458 2.651 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821404 429307002 /nfs/dbraw/zinc/30/70/02/429307002.db2.gz LAEUZMWGPGFPOK-RKVPGOIHSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821404 429307009 /nfs/dbraw/zinc/30/70/09/429307009.db2.gz LAEUZMWGPGFPOK-RKVPGOIHSA-N 1 2 319.832 2.960 20 30 DFEDLO C#CC[N@@H+](Cc1cc(=O)c(OC)co1)[C@H]1CCc2ccccc21 ZINC000490830048 429308131 /nfs/dbraw/zinc/30/81/31/429308131.db2.gz ICNSVZHYSIVIHN-KRWDZBQOSA-N 1 2 309.365 2.771 20 30 DFEDLO C#CC[N@H+](Cc1cc(=O)c(OC)co1)[C@H]1CCc2ccccc21 ZINC000490830048 429308133 /nfs/dbraw/zinc/30/81/33/429308133.db2.gz ICNSVZHYSIVIHN-KRWDZBQOSA-N 1 2 309.365 2.771 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772785 429317922 /nfs/dbraw/zinc/31/79/22/429317922.db2.gz UQKUGVYYRSLZRT-HSMVNMDESA-N 1 2 318.446 2.863 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772785 429317926 /nfs/dbraw/zinc/31/79/26/429317926.db2.gz UQKUGVYYRSLZRT-HSMVNMDESA-N 1 2 318.446 2.863 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491726244 429396689 /nfs/dbraw/zinc/39/66/89/429396689.db2.gz CWBVJYOLIARUIM-APWZRJJASA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000491726244 429396692 /nfs/dbraw/zinc/39/66/92/429396692.db2.gz CWBVJYOLIARUIM-APWZRJJASA-N 1 2 311.429 2.565 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000491746704 429402579 /nfs/dbraw/zinc/40/25/79/429402579.db2.gz OYUSNGHSDGDMTQ-UHFFFAOYSA-N 1 2 312.417 2.595 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000491746704 429402583 /nfs/dbraw/zinc/40/25/83/429402583.db2.gz OYUSNGHSDGDMTQ-UHFFFAOYSA-N 1 2 312.417 2.595 20 30 DFEDLO COCCOc1cc(C)ccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000518074086 429409497 /nfs/dbraw/zinc/40/94/97/429409497.db2.gz FZBQKIRUPOHEJF-OAHLLOKOSA-N 1 2 301.390 2.553 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000456827300 429353728 /nfs/dbraw/zinc/35/37/28/429353728.db2.gz AXQOKAUJGNXPRZ-QGZVFWFLSA-N 1 2 318.380 2.569 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000456863500 429357550 /nfs/dbraw/zinc/35/75/50/429357550.db2.gz RBQQYUKOGCEADU-AWEZNQCLSA-N 1 2 309.369 2.654 20 30 DFEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491406491 429358091 /nfs/dbraw/zinc/35/80/91/429358091.db2.gz OASQQIITJAYZOA-DOMZBBRYSA-N 1 2 301.777 2.978 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000491544424 429372976 /nfs/dbraw/zinc/37/29/76/429372976.db2.gz LIKKFVDLSNNADH-HNNXBMFYSA-N 1 2 314.433 2.520 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000515629292 429377205 /nfs/dbraw/zinc/37/72/05/429377205.db2.gz VKLOZLQHZIFBHI-KRWDZBQOSA-N 1 2 319.474 2.981 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000491637905 429384052 /nfs/dbraw/zinc/38/40/52/429384052.db2.gz YSKSARNWQHLHLG-CLFYSBASSA-N 1 2 324.384 2.960 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000491637905 429384055 /nfs/dbraw/zinc/38/40/55/429384055.db2.gz YSKSARNWQHLHLG-CLFYSBASSA-N 1 2 324.384 2.960 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)ccc2C)n1 ZINC000491667150 429387906 /nfs/dbraw/zinc/38/79/06/429387906.db2.gz KYNHOMSPQMRFNR-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)ccc2C)n1 ZINC000491667150 429387911 /nfs/dbraw/zinc/38/79/11/429387911.db2.gz KYNHOMSPQMRFNR-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000519161793 429450104 /nfs/dbraw/zinc/45/01/04/429450104.db2.gz NXSPRIFYAVFRCV-LJQANCHMSA-N 1 2 324.428 2.574 20 30 DFEDLO C=CCC[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC000449660434 429471383 /nfs/dbraw/zinc/47/13/83/429471383.db2.gz XUBDPOVDPFDYTL-QGZVFWFLSA-N 1 2 313.401 2.860 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000491813626 429414175 /nfs/dbraw/zinc/41/41/75/429414175.db2.gz KVFPDWHCCYZHBS-CYBMUJFWSA-N 1 2 314.385 2.620 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000491813626 429414181 /nfs/dbraw/zinc/41/41/81/429414181.db2.gz KVFPDWHCCYZHBS-CYBMUJFWSA-N 1 2 314.385 2.620 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000457537707 429483232 /nfs/dbraw/zinc/48/32/32/429483232.db2.gz LOUOEYHBYZOHBF-RDJZCZTQSA-N 1 2 317.433 2.761 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000519826164 429493294 /nfs/dbraw/zinc/49/32/94/429493294.db2.gz RAEJYFVUCKETMW-KRWDZBQOSA-N 1 2 320.396 2.532 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCC#N)c1ccccc1 ZINC000520472604 429517185 /nfs/dbraw/zinc/51/71/85/429517185.db2.gz HLCNJIDXJZPPEB-OAHLLOKOSA-N 1 2 311.389 2.503 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000492537984 429559962 /nfs/dbraw/zinc/55/99/62/429559962.db2.gz RSDGXKZEUMJMHT-DANTVBBOSA-N 1 2 314.776 2.951 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000450145419 429573623 /nfs/dbraw/zinc/57/36/23/429573623.db2.gz JOBQAXNODFKDLB-SUMWQHHRSA-N 1 2 317.820 2.534 20 30 DFEDLO C=CCCCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000522010378 429575990 /nfs/dbraw/zinc/57/59/90/429575990.db2.gz BORVBUZBJAMONO-UHFFFAOYSA-N 1 2 316.449 2.655 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000492413674 429532879 /nfs/dbraw/zinc/53/28/79/429532879.db2.gz YKDWFYOEPIGOTE-JBVUFVISSA-N 1 2 322.412 2.947 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000521052298 429538109 /nfs/dbraw/zinc/53/81/09/429538109.db2.gz QXEPFCJXNDVIET-IBGZPJMESA-N 1 2 315.461 2.877 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000367348713 429627581 /nfs/dbraw/zinc/62/75/81/429627581.db2.gz PGJQRCICDUPORK-DLBZAZTESA-N 1 2 307.397 2.511 20 30 DFEDLO CC[NH+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000429906055 429638717 /nfs/dbraw/zinc/63/87/17/429638717.db2.gz HBCRPXIDJYWORM-UHFFFAOYSA-N 1 2 313.426 2.859 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577406 429676109 /nfs/dbraw/zinc/67/61/09/429676109.db2.gz SVOZEPLEWVUTHX-WMZOPIPTSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577406 429676112 /nfs/dbraw/zinc/67/61/12/429676112.db2.gz SVOZEPLEWVUTHX-WMZOPIPTSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577404 429676775 /nfs/dbraw/zinc/67/67/75/429676775.db2.gz SVOZEPLEWVUTHX-FUHWJXTLSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577404 429676781 /nfs/dbraw/zinc/67/67/81/429676781.db2.gz SVOZEPLEWVUTHX-FUHWJXTLSA-N 1 2 302.393 2.652 20 30 DFEDLO CO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459507923 429698638 /nfs/dbraw/zinc/69/86/38/429698638.db2.gz KAYCBWXABLJHIM-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO CO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459507923 429698644 /nfs/dbraw/zinc/69/86/44/429698644.db2.gz KAYCBWXABLJHIM-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C(=O)OC ZINC000482451029 429726445 /nfs/dbraw/zinc/72/64/45/429726445.db2.gz KDJVMLGEMYVHGC-SVGFKBNWSA-N 1 2 303.402 2.512 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451196943 429787285 /nfs/dbraw/zinc/78/72/85/429787285.db2.gz NRXUUBZUTGOOCP-HZPDHXFCSA-N 1 2 317.408 2.982 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](F)C2)c1 ZINC000451196943 429787288 /nfs/dbraw/zinc/78/72/88/429787288.db2.gz NRXUUBZUTGOOCP-HZPDHXFCSA-N 1 2 317.408 2.982 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](F)C2)c1 ZINC000451196941 429787378 /nfs/dbraw/zinc/78/73/78/429787378.db2.gz NRXUUBZUTGOOCP-CVEARBPZSA-N 1 2 317.408 2.982 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](F)C2)c1 ZINC000451196941 429787380 /nfs/dbraw/zinc/78/73/80/429787380.db2.gz NRXUUBZUTGOOCP-CVEARBPZSA-N 1 2 317.408 2.982 20 30 DFEDLO N#Cc1ccccc1Cn1cccc1CNc1cccc(CO)[nH+]1 ZINC000432730947 429837120 /nfs/dbraw/zinc/83/71/20/429837120.db2.gz NBCDUIANRAVSHK-UHFFFAOYSA-N 1 2 318.380 2.907 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000528073563 429844094 /nfs/dbraw/zinc/84/40/94/429844094.db2.gz FAUBNFNFYYNSAA-UONOGXRCSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000528073563 429844096 /nfs/dbraw/zinc/84/40/96/429844096.db2.gz FAUBNFNFYYNSAA-UONOGXRCSA-N 1 2 304.438 2.698 20 30 DFEDLO CCC(C#N)(CC)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000528135598 429852549 /nfs/dbraw/zinc/85/25/49/429852549.db2.gz KTRWKZANEQIBQT-UHFFFAOYSA-N 1 2 308.345 2.899 20 30 DFEDLO CC[C@H](CC#N)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368567930 429867778 /nfs/dbraw/zinc/86/77/78/429867778.db2.gz OTQVULDHCXWZAH-KBAYOESNSA-N 1 2 301.434 2.558 20 30 DFEDLO CC[C@H](CC#N)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368567930 429867781 /nfs/dbraw/zinc/86/77/81/429867781.db2.gz OTQVULDHCXWZAH-KBAYOESNSA-N 1 2 301.434 2.558 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528718637 429909174 /nfs/dbraw/zinc/90/91/74/429909174.db2.gz ZHVZRYSDUJIFNO-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528718637 429909175 /nfs/dbraw/zinc/90/91/75/429909175.db2.gz ZHVZRYSDUJIFNO-LLVKDONJSA-N 1 2 312.335 2.754 20 30 DFEDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103511 429963496 /nfs/dbraw/zinc/96/34/96/429963496.db2.gz KOWHTITWSUDFOH-RYUDHWBXSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558103511 429963499 /nfs/dbraw/zinc/96/34/99/429963499.db2.gz KOWHTITWSUDFOH-RYUDHWBXSA-N 1 2 323.234 2.914 20 30 DFEDLO COc1cc(C)nc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000573340594 429944924 /nfs/dbraw/zinc/94/49/24/429944924.db2.gz AJODRIJPFWKWRJ-UHFFFAOYSA-N 1 2 322.412 2.851 20 30 DFEDLO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000574393753 430038324 /nfs/dbraw/zinc/03/83/24/430038324.db2.gz MWLQJDKOLJCOFQ-MRXNPFEDSA-N 1 2 313.357 2.522 20 30 DFEDLO N#CC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCC1 ZINC000576340921 430106056 /nfs/dbraw/zinc/10/60/56/430106056.db2.gz VFDLICBYDZNYRX-HNNXBMFYSA-N 1 2 308.385 2.742 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000574967095 430054617 /nfs/dbraw/zinc/05/46/17/430054617.db2.gz BLORJNLMGPGEJN-CYBMUJFWSA-N 1 2 302.422 2.845 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000574967095 430054622 /nfs/dbraw/zinc/05/46/22/430054622.db2.gz BLORJNLMGPGEJN-CYBMUJFWSA-N 1 2 302.422 2.845 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000562630070 430156458 /nfs/dbraw/zinc/15/64/58/430156458.db2.gz DQBFGJNBWSGTNK-TVQRCGJNSA-N 1 2 300.749 2.844 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000562630071 430156641 /nfs/dbraw/zinc/15/66/41/430156641.db2.gz DQBFGJNBWSGTNK-ZANVPECISA-N 1 2 300.749 2.844 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000562630068 430156967 /nfs/dbraw/zinc/15/69/67/430156967.db2.gz DQBFGJNBWSGTNK-NOZJJQNGSA-N 1 2 300.749 2.844 20 30 DFEDLO Cc1csc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000581019631 430170207 /nfs/dbraw/zinc/17/02/07/430170207.db2.gz LKYCOVBHETWATO-ONGXEEELSA-N 1 2 301.375 2.952 20 30 DFEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000536747393 430170748 /nfs/dbraw/zinc/17/07/48/430170748.db2.gz WLJHMQOSKGVHLL-MRXNPFEDSA-N 1 2 310.401 2.870 20 30 DFEDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000530643350 430121198 /nfs/dbraw/zinc/12/11/98/430121198.db2.gz KPYUXTIOAAUFIJ-UHFFFAOYSA-N 1 2 301.349 2.740 20 30 DFEDLO C[C@@H](c1nccc(N)n1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564465402 430195779 /nfs/dbraw/zinc/19/57/79/430195779.db2.gz NELSZYVLFPUPJE-ZDUSSCGKSA-N 1 2 305.385 2.781 20 30 DFEDLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564465402 430195783 /nfs/dbraw/zinc/19/57/83/430195783.db2.gz NELSZYVLFPUPJE-ZDUSSCGKSA-N 1 2 305.385 2.781 20 30 DFEDLO C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)n1cc[nH+]c1 ZINC000565047678 430202835 /nfs/dbraw/zinc/20/28/35/430202835.db2.gz OVAKTGQBKREHLX-RISCZKNCSA-N 1 2 302.765 2.869 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2cccs2)o1 ZINC000565052240 430203242 /nfs/dbraw/zinc/20/32/42/430203242.db2.gz WCUMPBFHKVIGQN-OAHLLOKOSA-N 1 2 303.387 2.582 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000581379554 430204808 /nfs/dbraw/zinc/20/48/08/430204808.db2.gz QBPQTFJRXOKHSG-NSHDSACASA-N 1 2 309.373 2.673 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000581379554 430204813 /nfs/dbraw/zinc/20/48/13/430204813.db2.gz QBPQTFJRXOKHSG-NSHDSACASA-N 1 2 309.373 2.673 20 30 DFEDLO N#CC1(CC[N@H+]2CCCC[C@H]2c2n[nH]c(=O)[nH]2)CCCCC1 ZINC000566724637 430272059 /nfs/dbraw/zinc/27/20/59/430272059.db2.gz JDSMSQDIWNXAPA-ZDUSSCGKSA-N 1 2 303.410 2.901 20 30 DFEDLO N#CC1(CC[N@@H+]2CCCC[C@H]2c2n[nH]c(=O)[nH]2)CCCCC1 ZINC000566724637 430272061 /nfs/dbraw/zinc/27/20/61/430272061.db2.gz JDSMSQDIWNXAPA-ZDUSSCGKSA-N 1 2 303.410 2.901 20 30 DFEDLO C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995629 430303739 /nfs/dbraw/zinc/30/37/39/430303739.db2.gz QLRDGHBBZGGDBA-BLLLJJGKSA-N 1 2 323.437 2.514 20 30 DFEDLO C=CC1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635549012 430304858 /nfs/dbraw/zinc/30/48/58/430304858.db2.gz XWFFVKZJLVSUQR-SFHVURJKSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635549012 430304862 /nfs/dbraw/zinc/30/48/62/430304862.db2.gz XWFFVKZJLVSUQR-SFHVURJKSA-N 1 2 314.429 2.694 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCO[C@@H](CC)c2ccccc2)nn1 ZINC000641167468 430350783 /nfs/dbraw/zinc/35/07/83/430350783.db2.gz NUUDZCFNRMFWKS-SFHVURJKSA-N 1 2 312.417 2.559 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)sc2Cl)nn1 ZINC000641120388 430332596 /nfs/dbraw/zinc/33/25/96/430332596.db2.gz VUFVPCANVFAXAN-UHFFFAOYSA-N 1 2 315.229 2.808 20 30 DFEDLO CC(C)c1nnc(NC(=O)C[NH+]2CCC(CCC#N)CC2)s1 ZINC000568997901 430413701 /nfs/dbraw/zinc/41/37/01/430413701.db2.gz SUUCGCIAXHGNRF-UHFFFAOYSA-N 1 2 321.450 2.616 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000569344942 430446724 /nfs/dbraw/zinc/44/67/24/430446724.db2.gz BBDWLLRQIAMHCG-OAHLLOKOSA-N 1 2 305.765 2.660 20 30 DFEDLO COc1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1C#N ZINC000600789761 430533784 /nfs/dbraw/zinc/53/37/84/430533784.db2.gz UNOYHGBHRLYDLJ-UHFFFAOYSA-N 1 2 323.396 3.467 20 30 DFEDLO CCOCCCNc1ccc(-c2ccc(OC)c(C#N)c2)c[nH+]1 ZINC000600788389 430533923 /nfs/dbraw/zinc/53/39/23/430533923.db2.gz KHQNRYOEAYNTOB-UHFFFAOYSA-N 1 2 311.385 3.467 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000552586669 430600288 /nfs/dbraw/zinc/60/02/88/430600288.db2.gz MQVZKROIKRCTSP-ZDUSSCGKSA-N 1 2 321.384 2.530 20 30 DFEDLO C=CCOc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000553267940 430611580 /nfs/dbraw/zinc/61/15/80/430611580.db2.gz RKNJIMZRXOYBGB-UHFFFAOYSA-N 1 2 306.369 2.811 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000639365562 430622070 /nfs/dbraw/zinc/62/20/70/430622070.db2.gz DURAFNOEWMNJER-QZTJIDSGSA-N 1 2 312.417 2.552 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000639365562 430622072 /nfs/dbraw/zinc/62/20/72/430622072.db2.gz DURAFNOEWMNJER-QZTJIDSGSA-N 1 2 312.417 2.552 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000553919307 430625718 /nfs/dbraw/zinc/62/57/18/430625718.db2.gz KKRLGJHGYURWJY-MRXNPFEDSA-N 1 2 323.400 2.584 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CC#Cc2cccc(Cl)c2)C1 ZINC000643857502 430637097 /nfs/dbraw/zinc/63/70/97/430637097.db2.gz ZWHNKUAFCBEDRJ-CVEARBPZSA-N 1 2 315.804 2.877 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1CCC)Cc1ccccc1 ZINC000639440374 430640163 /nfs/dbraw/zinc/64/01/63/430640163.db2.gz UQHIXMYSRQXFEJ-UHFFFAOYSA-N 1 2 312.417 2.920 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccnn1CCC)Cc1ccccc1 ZINC000639440374 430640166 /nfs/dbraw/zinc/64/01/66/430640166.db2.gz UQHIXMYSRQXFEJ-UHFFFAOYSA-N 1 2 312.417 2.920 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000555759618 430673538 /nfs/dbraw/zinc/67/35/38/430673538.db2.gz PPXTXDRBQWXJIM-UHFFFAOYSA-N 1 2 316.420 2.709 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000555759618 430673539 /nfs/dbraw/zinc/67/35/39/430673539.db2.gz PPXTXDRBQWXJIM-UHFFFAOYSA-N 1 2 316.420 2.709 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000556135061 430679600 /nfs/dbraw/zinc/67/96/00/430679600.db2.gz BDKFCTZNPUVKBH-ZBFHGGJFSA-N 1 2 311.385 2.830 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc([C@@H]2CCCOC2)o1 ZINC000644260778 430714050 /nfs/dbraw/zinc/71/40/50/430714050.db2.gz AKJMIEDPPPGYPH-CQSZACIVSA-N 1 2 317.389 2.787 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc([C@@H]2CCCOC2)o1 ZINC000644260778 430714057 /nfs/dbraw/zinc/71/40/57/430714057.db2.gz AKJMIEDPPPGYPH-CQSZACIVSA-N 1 2 317.389 2.787 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)nn1 ZINC000657745212 430722308 /nfs/dbraw/zinc/72/23/08/430722308.db2.gz HGPLXOFMLQDIQR-QZTJIDSGSA-N 1 2 314.433 2.702 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000661571819 430761995 /nfs/dbraw/zinc/76/19/95/430761995.db2.gz OMHRNAIGGZDYCV-UHFFFAOYSA-N 1 2 307.825 2.743 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651326024 430766455 /nfs/dbraw/zinc/76/64/55/430766455.db2.gz XAXSDUVZVOOHQN-ZBFHGGJFSA-N 1 2 312.417 2.968 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000665666979 430996626 /nfs/dbraw/zinc/99/66/26/430996626.db2.gz GWSVGKGIQULXRC-SJORKVTESA-N 1 2 309.413 2.749 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000662080325 430951902 /nfs/dbraw/zinc/95/19/02/430951902.db2.gz OOAAQWZBULHYHL-SFHVURJKSA-N 1 2 313.401 2.843 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000662080325 430951905 /nfs/dbraw/zinc/95/19/05/430951905.db2.gz OOAAQWZBULHYHL-SFHVURJKSA-N 1 2 313.401 2.843 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662101692 430960986 /nfs/dbraw/zinc/96/09/86/430960986.db2.gz VMJPRPBXSVPJBP-GFCCVEGCSA-N 1 2 304.419 2.940 20 30 DFEDLO C=CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H](C)COC ZINC000665951853 431074578 /nfs/dbraw/zinc/07/45/78/431074578.db2.gz UUAPANIKAAOHJS-ZDUSSCGKSA-N 1 2 302.378 2.698 20 30 DFEDLO Cc1nsc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C#N ZINC000283970560 279265316 /nfs/dbraw/zinc/26/53/16/279265316.db2.gz ZFPMBURFKNRONA-UHFFFAOYSA-N 1 2 301.419 2.743 20 30 DFEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000653033011 431237396 /nfs/dbraw/zinc/23/73/96/431237396.db2.gz RBVSZXMXCVEIBV-SHTZXODSSA-N 1 2 303.406 2.514 20 30 DFEDLO C=C[C@H](O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000646685758 431367930 /nfs/dbraw/zinc/36/79/30/431367930.db2.gz QIOQGBUSNRSMRD-INIZCTEOSA-N 1 2 307.353 2.795 20 30 DFEDLO C=CCCn1cc(C[N@@H+](CCOC)Cc2ccccc2)nn1 ZINC000653487742 431397662 /nfs/dbraw/zinc/39/76/62/431397662.db2.gz LISVPKPKKIWBRU-UHFFFAOYSA-N 1 2 300.406 2.503 20 30 DFEDLO C=CCCn1cc(C[N@H+](CCOC)Cc2ccccc2)nn1 ZINC000653487742 431397667 /nfs/dbraw/zinc/39/76/67/431397667.db2.gz LISVPKPKKIWBRU-UHFFFAOYSA-N 1 2 300.406 2.503 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)nn1 ZINC000653622596 431464754 /nfs/dbraw/zinc/46/47/54/431464754.db2.gz KOOPMZYWAZSSPN-LJQANCHMSA-N 1 2 324.428 2.876 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)nn1 ZINC000653622596 431464761 /nfs/dbraw/zinc/46/47/61/431464761.db2.gz KOOPMZYWAZSSPN-LJQANCHMSA-N 1 2 324.428 2.876 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000660552055 431487364 /nfs/dbraw/zinc/48/73/64/431487364.db2.gz PPTJZBVVUYVRPS-AWEZNQCLSA-N 1 2 302.422 2.717 20 30 DFEDLO C=CCCn1cc(C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)nn1 ZINC000653685215 431488803 /nfs/dbraw/zinc/48/88/03/431488803.db2.gz VDNJJXCDDYAZRY-UHFFFAOYSA-N 1 2 324.428 2.910 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)nn1 ZINC000653685215 431488807 /nfs/dbraw/zinc/48/88/07/431488807.db2.gz VDNJJXCDDYAZRY-UHFFFAOYSA-N 1 2 324.428 2.910 20 30 DFEDLO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C12CCOCC2 ZINC000302227605 279936736 /nfs/dbraw/zinc/93/67/36/279936736.db2.gz ABNUYSGVIIFAIC-IRXDYDNUSA-N 1 2 315.417 2.956 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncsc1Br ZINC000660737682 431569608 /nfs/dbraw/zinc/56/96/08/431569608.db2.gz HRFTVYGOEYKJKX-SCZZXKLOSA-N 1 2 303.225 2.729 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)nn1 ZINC000657335811 431684312 /nfs/dbraw/zinc/68/43/12/431684312.db2.gz NAUOSILVRJCMIO-MSOLQXFVSA-N 1 2 312.417 2.864 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043672 431710649 /nfs/dbraw/zinc/71/06/49/431710649.db2.gz CUTWZBFWMZFRGE-RBSFLKMASA-N 1 2 302.422 2.632 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661123260 431741338 /nfs/dbraw/zinc/74/13/38/431741338.db2.gz MMXSTAYRJVIREP-OAHLLOKOSA-N 1 2 302.422 2.836 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)nn1 ZINC000657428565 431745223 /nfs/dbraw/zinc/74/52/23/431745223.db2.gz LZHNJUCVVYBSJB-INIZCTEOSA-N 1 2 316.380 2.997 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000664254959 431716724 /nfs/dbraw/zinc/71/67/24/431716724.db2.gz HYUFZEUSFSTNBI-JKSUJKDBSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000664254959 431716732 /nfs/dbraw/zinc/71/67/32/431716732.db2.gz HYUFZEUSFSTNBI-JKSUJKDBSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@H](C)COC ZINC000661240880 431789411 /nfs/dbraw/zinc/78/94/11/431789411.db2.gz SODZEAUTOBRFSJ-CQSZACIVSA-N 1 2 311.447 2.503 20 30 DFEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)[C@H](C)COC ZINC000661240880 431789414 /nfs/dbraw/zinc/78/94/14/431789414.db2.gz SODZEAUTOBRFSJ-CQSZACIVSA-N 1 2 311.447 2.503 20 30 DFEDLO C=CC[N@H+](Cc1nc(CCc2ccccc2)no1)[C@H](C)COC ZINC000661244401 431793292 /nfs/dbraw/zinc/79/32/92/431793292.db2.gz SNNMEKSNUHFGSG-OAHLLOKOSA-N 1 2 315.417 2.878 20 30 DFEDLO C=CC[N@@H+](Cc1nc(CCc2ccccc2)no1)[C@H](C)COC ZINC000661244401 431793299 /nfs/dbraw/zinc/79/32/99/431793299.db2.gz SNNMEKSNUHFGSG-OAHLLOKOSA-N 1 2 315.417 2.878 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H](C)COC ZINC000661248603 431794794 /nfs/dbraw/zinc/79/47/94/431794794.db2.gz VQVSPCJVSKQKPB-LLVKDONJSA-N 1 2 305.378 2.969 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H](C)COC ZINC000661248603 431794800 /nfs/dbraw/zinc/79/48/00/431794800.db2.gz VQVSPCJVSKQKPB-LLVKDONJSA-N 1 2 305.378 2.969 20 30 DFEDLO C=CCc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc(OC)c1O ZINC000657568842 431813211 /nfs/dbraw/zinc/81/32/11/431813211.db2.gz LQXIMBQPMITVQM-SMDDNHRTSA-N 1 2 314.389 2.516 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000369529220 288290841 /nfs/dbraw/zinc/29/08/41/288290841.db2.gz WVOJXXJUXLJEMN-IRXDYDNUSA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@]2(CCOC2)O1 ZINC000369529220 288290842 /nfs/dbraw/zinc/29/08/42/288290842.db2.gz WVOJXXJUXLJEMN-IRXDYDNUSA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCN1CC(F)F ZINC000153620531 289052696 /nfs/dbraw/zinc/05/26/96/289052696.db2.gz FHQAVXFXCDBWCL-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCN1CC(F)F ZINC000153620531 289052697 /nfs/dbraw/zinc/05/26/97/289052697.db2.gz FHQAVXFXCDBWCL-OAHLLOKOSA-N 1 2 323.387 2.728 20 30 DFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580705 290286970 /nfs/dbraw/zinc/28/69/70/290286970.db2.gz MJJSCRKIPGLXED-CQSZACIVSA-N 1 2 318.384 2.727 20 30 DFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580705 290286975 /nfs/dbraw/zinc/28/69/75/290286975.db2.gz MJJSCRKIPGLXED-CQSZACIVSA-N 1 2 318.384 2.727 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000264139654 294037883 /nfs/dbraw/zinc/03/78/83/294037883.db2.gz PWAZIRHXJRWLKH-ONGXEEELSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)c(C#N)c1C ZINC000264139654 294037888 /nfs/dbraw/zinc/03/78/88/294037888.db2.gz PWAZIRHXJRWLKH-ONGXEEELSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1nc(C2([NH2+]CCOc3cccc(C#N)c3)CCCC2)no1 ZINC000161610887 295405293 /nfs/dbraw/zinc/40/52/93/295405293.db2.gz ZWHQTBQEAFOZRC-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO C=CCn1c(=O)[nH]nc1SCc1ccc(C(C)C)[nH+]c1C ZINC000292569567 335091703 /nfs/dbraw/zinc/09/17/03/335091703.db2.gz DUOKPLPXAVHURI-UHFFFAOYSA-N 1 2 304.419 2.877 20 30 DFEDLO Cc1cc(C)c(C#N)c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000514617808 300263142 /nfs/dbraw/zinc/26/31/42/300263142.db2.gz YKAJZICKESPIDA-ZIAGYGMSSA-N 1 2 305.447 2.771 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)on1 ZINC000535787981 301261938 /nfs/dbraw/zinc/26/19/38/301261938.db2.gz DLBOPHVEWREXRH-HNNXBMFYSA-N 1 2 307.357 2.840 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)on1 ZINC000535787981 301261940 /nfs/dbraw/zinc/26/19/40/301261940.db2.gz DLBOPHVEWREXRH-HNNXBMFYSA-N 1 2 307.357 2.840 20 30 DFEDLO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000536574353 301280188 /nfs/dbraw/zinc/28/01/88/301280188.db2.gz GJOIMYAAHSXRLB-UHFFFAOYSA-N 1 2 309.369 2.788 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000538996956 301336128 /nfs/dbraw/zinc/33/61/28/301336128.db2.gz AUGGJYSPWSYKMN-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000538996956 301336130 /nfs/dbraw/zinc/33/61/30/301336130.db2.gz AUGGJYSPWSYKMN-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO N#Cc1cnccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000548162819 301571033 /nfs/dbraw/zinc/57/10/33/301571033.db2.gz BVMDHWWQFLKFQM-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1[C@H](C)C[C@H]1C ZINC000548754424 301611894 /nfs/dbraw/zinc/61/18/94/301611894.db2.gz IVRNZTPGEPMCML-GMTAPVOTSA-N 1 2 303.431 2.918 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000555650336 301774443 /nfs/dbraw/zinc/77/44/43/301774443.db2.gz DIJRVORFQIFKAL-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563347773 302064434 /nfs/dbraw/zinc/06/44/34/302064434.db2.gz CKDXGDWZXURPLZ-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563347773 302064436 /nfs/dbraw/zinc/06/44/36/302064436.db2.gz CKDXGDWZXURPLZ-KRWDZBQOSA-N 1 2 301.390 2.651 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000563519350 302079520 /nfs/dbraw/zinc/07/95/20/302079520.db2.gz SKGPTIKEYBVKCN-NVXWUHKLSA-N 1 2 320.396 2.511 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000564918288 302173646 /nfs/dbraw/zinc/17/36/46/302173646.db2.gz BBDBBFIATRHDBZ-OAHLLOKOSA-N 1 2 324.384 2.591 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000564918288 302173647 /nfs/dbraw/zinc/17/36/47/302173647.db2.gz BBDBBFIATRHDBZ-OAHLLOKOSA-N 1 2 324.384 2.591 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000565051840 302189828 /nfs/dbraw/zinc/18/98/28/302189828.db2.gz RITCLOLTJOFCGV-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000565051840 302189829 /nfs/dbraw/zinc/18/98/29/302189829.db2.gz RITCLOLTJOFCGV-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C#N)c1 ZINC000182870896 316120756 /nfs/dbraw/zinc/12/07/56/316120756.db2.gz DHZHJIUGTGYCSD-CQSZACIVSA-N 1 2 308.385 2.963 20 30 DFEDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cn1 ZINC000575944719 318093532 /nfs/dbraw/zinc/09/35/32/318093532.db2.gz KMIVKEBTBUBIKB-UHFFFAOYSA-N 1 2 306.163 2.941 20 30 DFEDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cn1 ZINC000575944719 318093534 /nfs/dbraw/zinc/09/35/34/318093534.db2.gz KMIVKEBTBUBIKB-UHFFFAOYSA-N 1 2 306.163 2.941 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000579312144 318320790 /nfs/dbraw/zinc/32/07/90/318320790.db2.gz LPSUDAZEERBNCD-LBPRGKRZSA-N 1 2 310.353 2.901 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000292675808 335092716 /nfs/dbraw/zinc/09/27/16/335092716.db2.gz GAYVTJHIKFTANT-HNNXBMFYSA-N 1 2 301.434 2.889 20 30 DFEDLO Cc1[nH+]c2cc(CNc3ccncc3C#N)ccc2n1C1CC1 ZINC000583035783 323784592 /nfs/dbraw/zinc/78/45/92/323784592.db2.gz XGQXYJRMRZMRFQ-UHFFFAOYSA-N 1 2 303.369 2.980 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000116950089 331467658 /nfs/dbraw/zinc/46/76/58/331467658.db2.gz KIWRCGZFVMXGCP-LBPRGKRZSA-N 1 2 302.353 2.775 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000116942633 331469017 /nfs/dbraw/zinc/46/90/17/331469017.db2.gz LPUZRPBAJMOOFT-CQSZACIVSA-N 1 2 302.422 2.836 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000583980824 331512413 /nfs/dbraw/zinc/51/24/13/331512413.db2.gz OYYMDOBTLVABQI-VOJFVSQTSA-N 1 2 308.385 2.617 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000583997749 331539979 /nfs/dbraw/zinc/53/99/79/331539979.db2.gz RNFPOYVJDZSIFP-UVWXRNBGSA-N 1 2 323.799 2.543 20 30 DFEDLO C=CCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367898133 331547056 /nfs/dbraw/zinc/54/70/56/331547056.db2.gz XCGJPTYVPZQPMN-IRXDYDNUSA-N 1 2 323.481 2.628 20 30 DFEDLO CC(C)c1nc(CO[NH+]=C(N)Cc2ccccc2Cl)no1 ZINC000067098737 331893665 /nfs/dbraw/zinc/89/36/65/331893665.db2.gz GSOLZWZZFKUVRJ-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000072920228 331933348 /nfs/dbraw/zinc/93/33/48/331933348.db2.gz ACBUDBGSSPJFFG-NSHDSACASA-N 1 2 318.377 2.794 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)CC#N)cn2c1 ZINC000103535467 332940589 /nfs/dbraw/zinc/94/05/89/332940589.db2.gz NCKSAEXFWYCSLP-CYBMUJFWSA-N 1 2 316.430 2.637 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)CC#N)cn2c1 ZINC000103535460 332940606 /nfs/dbraw/zinc/94/06/06/332940606.db2.gz NCKSAEXFWYCSLP-ZDUSSCGKSA-N 1 2 316.430 2.637 20 30 DFEDLO CC(C)(C)[C@H](C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000085437220 332012331 /nfs/dbraw/zinc/01/23/31/332012331.db2.gz VLJAOOKQRFAHEX-FSNWXROXSA-N 1 2 308.385 2.940 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233393 332019305 /nfs/dbraw/zinc/01/93/05/332019305.db2.gz XHCBWDNKJUBJDO-GUYCJALGSA-N 1 2 303.406 2.859 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233393 332019306 /nfs/dbraw/zinc/01/93/06/332019306.db2.gz XHCBWDNKJUBJDO-GUYCJALGSA-N 1 2 303.406 2.859 20 30 DFEDLO COc1cncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000569406179 332076902 /nfs/dbraw/zinc/07/69/02/332076902.db2.gz IKTGRSUEARXPOQ-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)c(OC)c1OC ZINC000093091331 332133924 /nfs/dbraw/zinc/13/39/24/332133924.db2.gz CXWPRVXVQZBMFR-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)c(OC)c1OC ZINC000093091331 332133925 /nfs/dbraw/zinc/13/39/25/332133925.db2.gz CXWPRVXVQZBMFR-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC000427077094 332166305 /nfs/dbraw/zinc/16/63/05/332166305.db2.gz LOAZSXQHXXSSDK-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC000427077094 332166306 /nfs/dbraw/zinc/16/63/06/332166306.db2.gz LOAZSXQHXXSSDK-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCCc2cnn(C)c2)c(O)c1 ZINC000102598367 332226273 /nfs/dbraw/zinc/22/62/73/332226273.db2.gz SFUSEEQBAPMQMJ-LDADJPATSA-N 1 2 301.390 2.966 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000104627545 332247114 /nfs/dbraw/zinc/24/71/14/332247114.db2.gz KVABABLMSQUQBV-UHFFFAOYSA-N 1 2 311.389 2.669 20 30 DFEDLO N#CCc1ccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000370833229 332264214 /nfs/dbraw/zinc/26/42/14/332264214.db2.gz LKQMTEFZUQMRGJ-AWEZNQCLSA-N 1 2 309.373 2.648 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152237325 332270714 /nfs/dbraw/zinc/27/07/14/332270714.db2.gz ISGVBUXVKZRSBY-HNNXBMFYSA-N 1 2 302.422 2.624 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000109813709 332284305 /nfs/dbraw/zinc/28/43/05/332284305.db2.gz CJTJNIQGYRCPCT-UHFFFAOYSA-N 1 2 304.419 2.518 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000109813709 332284306 /nfs/dbraw/zinc/28/43/06/332284306.db2.gz CJTJNIQGYRCPCT-UHFFFAOYSA-N 1 2 304.419 2.518 20 30 DFEDLO C[NH+](C)[C@H](CNC(=O)C1(C#N)CCCC1)c1c(F)cccc1F ZINC000115411003 332332538 /nfs/dbraw/zinc/33/25/38/332332538.db2.gz IXQPGOBTWUNPJZ-CQSZACIVSA-N 1 2 321.371 2.768 20 30 DFEDLO C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115740969 332335170 /nfs/dbraw/zinc/33/51/70/332335170.db2.gz GJEVDENVQZUIPB-DOTOQJQBSA-N 1 2 310.401 2.557 20 30 DFEDLO C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115740969 332335171 /nfs/dbraw/zinc/33/51/71/332335171.db2.gz GJEVDENVQZUIPB-DOTOQJQBSA-N 1 2 310.401 2.557 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000560410299 332337347 /nfs/dbraw/zinc/33/73/47/332337347.db2.gz CQZBOHCSPUPFNS-CVEARBPZSA-N 1 2 306.369 2.583 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119183810 332366555 /nfs/dbraw/zinc/36/65/55/332366555.db2.gz DIXILXIORFHSNA-UHFFFAOYSA-N 1 2 322.478 2.741 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000119183810 332366556 /nfs/dbraw/zinc/36/65/56/332366556.db2.gz DIXILXIORFHSNA-UHFFFAOYSA-N 1 2 322.478 2.741 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000583425722 332400359 /nfs/dbraw/zinc/40/03/59/332400359.db2.gz JRHKVKKRBKNQFP-CHWSQXEVSA-N 1 2 309.435 2.515 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000293317053 335103763 /nfs/dbraw/zinc/10/37/63/335103763.db2.gz XHKNEVRCXDAIFJ-SSDOTTSWSA-N 1 2 320.261 2.664 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000293317053 335103765 /nfs/dbraw/zinc/10/37/65/335103765.db2.gz XHKNEVRCXDAIFJ-SSDOTTSWSA-N 1 2 320.261 2.664 20 30 DFEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000293329712 335104400 /nfs/dbraw/zinc/10/44/00/335104400.db2.gz XZBSPWMUXVVKOS-UHFFFAOYSA-N 1 2 302.399 2.979 20 30 DFEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000293329712 335104401 /nfs/dbraw/zinc/10/44/01/335104401.db2.gz XZBSPWMUXVVKOS-UHFFFAOYSA-N 1 2 302.399 2.979 20 30 DFEDLO C[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000123460181 332424047 /nfs/dbraw/zinc/42/40/47/332424047.db2.gz BCDCHBBCOTYOEN-CABCVRRESA-N 1 2 300.406 2.767 20 30 DFEDLO C#CCC(CC#C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000293646142 335114220 /nfs/dbraw/zinc/11/42/20/335114220.db2.gz OJPDLUPWGALMQI-UHFFFAOYSA-N 1 2 319.408 2.959 20 30 DFEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000164035258 332976922 /nfs/dbraw/zinc/97/69/22/332976922.db2.gz NHYCVFWFBHKHJX-HNNXBMFYSA-N 1 2 316.836 2.901 20 30 DFEDLO C[C@H](CCCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580202815 333003622 /nfs/dbraw/zinc/00/36/22/333003622.db2.gz RZBFKUGBRZDUGF-CRAIPNDOSA-N 1 2 301.434 2.605 20 30 DFEDLO C=CCn1c(C)cc(C(=O)CSc2nc(N)cc(C)[nH+]2)c1C ZINC000098078266 335118531 /nfs/dbraw/zinc/11/85/31/335118531.db2.gz BUEYZLPWPXNSBO-UHFFFAOYSA-N 1 2 316.430 2.947 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179237148 333148304 /nfs/dbraw/zinc/14/83/04/333148304.db2.gz ZASMGSBJUCALAM-CVEARBPZSA-N 1 2 303.381 2.599 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000179237148 333148306 /nfs/dbraw/zinc/14/83/06/333148306.db2.gz ZASMGSBJUCALAM-CVEARBPZSA-N 1 2 303.381 2.599 20 30 DFEDLO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)c1O ZINC000183451059 333185152 /nfs/dbraw/zinc/18/51/52/333185152.db2.gz FTOAVGCQLPHNFM-LJQANCHMSA-N 1 2 321.424 2.911 20 30 DFEDLO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)c1O ZINC000183451059 333185153 /nfs/dbraw/zinc/18/51/53/333185153.db2.gz FTOAVGCQLPHNFM-LJQANCHMSA-N 1 2 321.424 2.911 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000183909771 333189303 /nfs/dbraw/zinc/18/93/03/333189303.db2.gz NZIHZZIPCMKZIG-JKSUJKDBSA-N 1 2 317.458 2.585 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000363889600 333192651 /nfs/dbraw/zinc/19/26/51/333192651.db2.gz PVJPESPAHUSZFG-LSDHHAIUSA-N 1 2 320.437 2.707 20 30 DFEDLO N#CCC[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000364246895 333278349 /nfs/dbraw/zinc/27/83/49/333278349.db2.gz CXTWSHHQWHDZCF-UHFFFAOYSA-N 1 2 307.401 2.569 20 30 DFEDLO N#CCC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000364246895 333278350 /nfs/dbraw/zinc/27/83/50/333278350.db2.gz CXTWSHHQWHDZCF-UHFFFAOYSA-N 1 2 307.401 2.569 20 30 DFEDLO C#CC[C@H](NC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000364695659 333329499 /nfs/dbraw/zinc/32/94/99/333329499.db2.gz KQEIUQPWMFMAAU-RDJZCZTQSA-N 1 2 322.412 2.509 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000296054004 335140836 /nfs/dbraw/zinc/14/08/36/335140836.db2.gz ZJBIXQMZALOBQH-INIZCTEOSA-N 1 2 323.396 2.655 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)OCC ZINC000337588238 333454725 /nfs/dbraw/zinc/45/47/25/333454725.db2.gz LVZQCVZVKUBTIG-SJORKVTESA-N 1 2 320.408 2.670 20 30 DFEDLO N#CCSCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338393740 333486688 /nfs/dbraw/zinc/48/66/88/333486688.db2.gz GFHRAZVYCFOMOM-UHFFFAOYSA-N 1 2 306.778 2.721 20 30 DFEDLO C#C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000296631634 335145026 /nfs/dbraw/zinc/14/50/26/335145026.db2.gz NMXUHMVCMVJWCI-STQMWFEESA-N 1 2 302.422 2.561 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)OCC ZINC000339516724 333527650 /nfs/dbraw/zinc/52/76/50/333527650.db2.gz IVRSLICDBVSVFA-HOTGVXAUSA-N 1 2 319.449 2.573 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000356418182 333529400 /nfs/dbraw/zinc/52/94/00/333529400.db2.gz BHKZBFCEYFJTHQ-GWCFXTLKSA-N 1 2 319.206 2.879 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000185573364 335141472 /nfs/dbraw/zinc/14/14/72/335141472.db2.gz QDLHBSMSAZLUMK-JKSUJKDBSA-N 1 2 301.434 2.889 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000297030677 335148675 /nfs/dbraw/zinc/14/86/75/335148675.db2.gz WQGOHCBKXOPOJK-MRXNPFEDSA-N 1 2 322.412 2.694 20 30 DFEDLO CC[C@H]([NH2+]CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000411442579 333673189 /nfs/dbraw/zinc/67/31/89/333673189.db2.gz ADFSHUTWKUAVRW-INIZCTEOSA-N 1 2 315.417 2.642 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000413838754 333877879 /nfs/dbraw/zinc/87/78/79/333877879.db2.gz SSAAIGSSNOSTKQ-MRXNPFEDSA-N 1 2 312.417 2.749 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000266221569 333972449 /nfs/dbraw/zinc/97/24/49/333972449.db2.gz RPJYMKAGQNAMDL-AWEZNQCLSA-N 1 2 316.405 2.722 20 30 DFEDLO COCc1cccc(CO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000269495347 334001822 /nfs/dbraw/zinc/00/18/22/334001822.db2.gz VEYAGNXKMQPNHK-UHFFFAOYSA-N 1 2 305.403 2.629 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271787884 334027025 /nfs/dbraw/zinc/02/70/25/334027025.db2.gz QFGLLOGQUTYUMC-NEPJUHHUSA-N 1 2 309.360 2.624 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271787886 334027109 /nfs/dbraw/zinc/02/71/09/334027109.db2.gz QFGLLOGQUTYUMC-RYUDHWBXSA-N 1 2 309.360 2.624 20 30 DFEDLO CC1(C#N)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000272525308 334036547 /nfs/dbraw/zinc/03/65/47/334036547.db2.gz JHUBTUMKJGNKEY-UHFFFAOYSA-N 1 2 323.400 2.708 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000343517814 335174064 /nfs/dbraw/zinc/17/40/64/335174064.db2.gz DQRCZZOPFQXOEC-MRXNPFEDSA-N 1 2 316.445 2.993 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000276255204 334075387 /nfs/dbraw/zinc/07/53/87/334075387.db2.gz AERTZQPVVFKCBO-ZDUSSCGKSA-N 1 2 305.809 2.790 20 30 DFEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000278661102 334099428 /nfs/dbraw/zinc/09/94/28/334099428.db2.gz QLRIGZZBXAJWHF-BBRMVZONSA-N 1 2 317.820 2.790 20 30 DFEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCCCC#N ZINC000343603905 335176473 /nfs/dbraw/zinc/17/64/73/335176473.db2.gz NFFATBSRRXXOJI-UHFFFAOYSA-N 1 2 313.357 2.558 20 30 DFEDLO CNC(=O)COc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000280180130 334114632 /nfs/dbraw/zinc/11/46/32/334114632.db2.gz GRKYHUPPHMWERE-KGLIPLIRSA-N 1 2 301.390 2.614 20 30 DFEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000282276558 334132948 /nfs/dbraw/zinc/13/29/48/334132948.db2.gz PDBCTHNJDVBLLO-UHFFFAOYSA-N 1 2 321.812 2.718 20 30 DFEDLO Cn1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)nc1N ZINC000283832524 334141633 /nfs/dbraw/zinc/14/16/33/334141633.db2.gz CEWKGYVYPIPOBE-HNNXBMFYSA-N 1 2 324.432 2.536 20 30 DFEDLO Cn1nc([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)nc1N ZINC000283832524 334141634 /nfs/dbraw/zinc/14/16/34/334141634.db2.gz CEWKGYVYPIPOBE-HNNXBMFYSA-N 1 2 324.432 2.536 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2cccc(Cl)c2)n1)[C@@H]1CCCO1 ZINC000283957312 334141998 /nfs/dbraw/zinc/14/19/98/334141998.db2.gz FXXCTAUFIDHGGX-ZDUSSCGKSA-N 1 2 321.764 2.963 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000284371423 334143287 /nfs/dbraw/zinc/14/32/87/334143287.db2.gz LNUBAUIHNPDELD-CYBMUJFWSA-N 1 2 321.764 2.963 20 30 DFEDLO NC(=[NH+]OCc1csc(-c2cccs2)n1)[C@@H]1CCCO1 ZINC000284418486 334143373 /nfs/dbraw/zinc/14/33/73/334143373.db2.gz OAXFLFDWDWOKLK-JTQLQIEISA-N 1 2 309.416 2.839 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000284837520 334144612 /nfs/dbraw/zinc/14/46/12/334144612.db2.gz BPGJPTSYJBCWIF-KRWDZBQOSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000285714666 334149766 /nfs/dbraw/zinc/14/97/66/334149766.db2.gz FBYSADXWEBMLOX-HLLBOEOZSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000285714666 334149767 /nfs/dbraw/zinc/14/97/67/334149767.db2.gz FBYSADXWEBMLOX-HLLBOEOZSA-N 1 2 321.371 2.766 20 30 DFEDLO CCCCCCC[C@@H](C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285916903 334150686 /nfs/dbraw/zinc/15/06/86/334150686.db2.gz LJKGVSGICXOVTD-HIFRSBDPSA-N 1 2 320.437 2.869 20 30 DFEDLO CCCCCCC[C@@H](C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285916903 334150687 /nfs/dbraw/zinc/15/06/87/334150687.db2.gz LJKGVSGICXOVTD-HIFRSBDPSA-N 1 2 320.437 2.869 20 30 DFEDLO N#CCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000291828796 334182246 /nfs/dbraw/zinc/18/22/46/334182246.db2.gz DPAKEJSWLKMUFW-CQSZACIVSA-N 1 2 300.406 2.619 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000292170128 334185200 /nfs/dbraw/zinc/18/52/00/334185200.db2.gz LUDDTAFYFSTLPM-GOSISDBHSA-N 1 2 311.429 2.972 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000292170128 334185201 /nfs/dbraw/zinc/18/52/01/334185201.db2.gz LUDDTAFYFSTLPM-GOSISDBHSA-N 1 2 311.429 2.972 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1c1ccccc1 ZINC000292313898 334186605 /nfs/dbraw/zinc/18/66/05/334186605.db2.gz DYBXMOZEODWCLJ-MSOLQXFVSA-N 1 2 305.381 2.525 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1c1ccccc1 ZINC000292313898 334186606 /nfs/dbraw/zinc/18/66/06/334186606.db2.gz DYBXMOZEODWCLJ-MSOLQXFVSA-N 1 2 305.381 2.525 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000292337019 334187030 /nfs/dbraw/zinc/18/70/30/334187030.db2.gz WSRJVGKJNJWTLR-BXUZGUMPSA-N 1 2 322.206 2.516 20 30 DFEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(CC(F)F)c1 ZINC000292426906 334187839 /nfs/dbraw/zinc/18/78/39/334187839.db2.gz LGWKBQZPOSEGTI-UHFFFAOYSA-N 1 2 321.331 2.838 20 30 DFEDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292476001 334188409 /nfs/dbraw/zinc/18/84/09/334188409.db2.gz RTUBISCLDLVAEX-UAGQMJEPSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292476001 334188411 /nfs/dbraw/zinc/18/84/11/334188411.db2.gz RTUBISCLDLVAEX-UAGQMJEPSA-N 1 2 313.445 2.919 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293229515 334196657 /nfs/dbraw/zinc/19/66/57/334196657.db2.gz VXCWWOGSEFKQOQ-DVOMOZLQSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293229515 334196658 /nfs/dbraw/zinc/19/66/58/334196658.db2.gz VXCWWOGSEFKQOQ-DVOMOZLQSA-N 1 2 303.381 2.579 20 30 DFEDLO Cc1cccn2cc(CNC(=O)[C@]3(C#N)CC34CCCC4)[nH+]c12 ZINC000294659856 334212188 /nfs/dbraw/zinc/21/21/88/334212188.db2.gz QHUUKBSGFBKPFI-GOSISDBHSA-N 1 2 308.385 2.733 20 30 DFEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)[nH+]c2c1 ZINC000296408846 334233664 /nfs/dbraw/zinc/23/36/64/334233664.db2.gz MDRBWAUBIWAWJG-KBPBESRZSA-N 1 2 311.389 2.524 20 30 DFEDLO N#CCOc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000298549177 334249842 /nfs/dbraw/zinc/24/98/42/334249842.db2.gz KWFMKELYDZWGEP-UHFFFAOYSA-N 1 2 323.343 2.505 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)C#N)n2)C1 ZINC000298806725 334251665 /nfs/dbraw/zinc/25/16/65/334251665.db2.gz GXLQXEMXLGIKBL-NSHDSACASA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)C#N)n2)C1 ZINC000298806725 334251666 /nfs/dbraw/zinc/25/16/66/334251666.db2.gz GXLQXEMXLGIKBL-NSHDSACASA-N 1 2 306.435 2.863 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000299403456 334255157 /nfs/dbraw/zinc/25/51/57/334255157.db2.gz WOWQGOSOPZCWNK-UHFFFAOYSA-N 1 2 305.397 2.798 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000299403456 334255159 /nfs/dbraw/zinc/25/51/59/334255159.db2.gz WOWQGOSOPZCWNK-UHFFFAOYSA-N 1 2 305.397 2.798 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120163030 334315974 /nfs/dbraw/zinc/31/59/74/334315974.db2.gz MZNJIVRKPFYRQZ-CYBMUJFWSA-N 1 2 311.857 2.923 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120163030 334315975 /nfs/dbraw/zinc/31/59/75/334315975.db2.gz MZNJIVRKPFYRQZ-CYBMUJFWSA-N 1 2 311.857 2.923 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000341999973 334499800 /nfs/dbraw/zinc/49/98/00/334499800.db2.gz WZCLDLPMEWOBOR-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000341989520 334503471 /nfs/dbraw/zinc/50/34/71/334503471.db2.gz LQVGXBZXWJFPSF-UHFFFAOYSA-N 1 2 313.323 2.853 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000342678803 334559883 /nfs/dbraw/zinc/55/98/83/334559883.db2.gz MKYVSCGIHKCNQJ-NHYWBVRUSA-N 1 2 302.328 2.932 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NC1CCOCC1 ZINC000328838861 334759163 /nfs/dbraw/zinc/75/91/63/334759163.db2.gz NPJZPQNNHSTPLA-HNNXBMFYSA-N 1 2 320.437 2.566 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCOCC1)c1ccc2c(c1)CC(=O)N2 ZINC000328863440 334761518 /nfs/dbraw/zinc/76/15/18/334761518.db2.gz MHZAEOUWMDMJBB-RYUDHWBXSA-N 1 2 317.389 2.569 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000425328312 334769659 /nfs/dbraw/zinc/76/96/59/334769659.db2.gz UAVZWCVEECTJRN-IBGZPJMESA-N 1 2 323.444 2.846 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330789503 334815410 /nfs/dbraw/zinc/81/54/10/334815410.db2.gz ZRBGDQSTGCOKPN-AWEZNQCLSA-N 1 2 315.417 2.956 20 30 DFEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331249852 334850967 /nfs/dbraw/zinc/85/09/67/334850967.db2.gz XXUMFYCIPBBTOF-QWHCGFSZSA-N 1 2 305.378 2.674 20 30 DFEDLO Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)c(C)[nH+]1 ZINC000331338768 334854639 /nfs/dbraw/zinc/85/46/39/334854639.db2.gz RKKFMDHJVJFYOZ-ZDUSSCGKSA-N 1 2 301.394 2.979 20 30 DFEDLO C=CC[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343690842 335188640 /nfs/dbraw/zinc/18/86/40/335188640.db2.gz NCBPOADBMACVGW-UHFFFAOYSA-N 1 2 301.390 2.851 20 30 DFEDLO C=CC[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343690842 335188642 /nfs/dbraw/zinc/18/86/42/335188642.db2.gz NCBPOADBMACVGW-UHFFFAOYSA-N 1 2 301.390 2.851 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000343910626 335201624 /nfs/dbraw/zinc/20/16/24/335201624.db2.gz DKZHTNBYPNYXJA-BLLLJJGKSA-N 1 2 303.381 2.721 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000343910626 335201625 /nfs/dbraw/zinc/20/16/25/335201625.db2.gz DKZHTNBYPNYXJA-BLLLJJGKSA-N 1 2 303.381 2.721 20 30 DFEDLO CSC[C@@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328600889 335370154 /nfs/dbraw/zinc/37/01/54/335370154.db2.gz DMFHKWWBDYYSAS-STQMWFEESA-N 1 2 308.451 2.502 20 30 DFEDLO C=CCC[C@@H](O)C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000348303640 335574547 /nfs/dbraw/zinc/57/45/47/335574547.db2.gz BUKHLZOGCYLVNN-UKRRQHHQSA-N 1 2 301.390 2.638 20 30 DFEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cs1 ZINC000348324910 335577448 /nfs/dbraw/zinc/57/74/48/335577448.db2.gz QQHJGSKMPUFSRZ-MKBNYLNASA-N 1 2 322.478 2.799 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCC(F)(C#N)CC3)ccc2[nH+]1 ZINC000349420550 335670614 /nfs/dbraw/zinc/67/06/14/335670614.db2.gz YTGJOLYPCAAMKO-UHFFFAOYSA-N 1 2 301.325 2.502 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000350451954 335754595 /nfs/dbraw/zinc/75/45/95/335754595.db2.gz DKHVYKAKMLKHKP-BMIGLBTASA-N 1 2 319.771 2.842 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000329305921 335962065 /nfs/dbraw/zinc/96/20/65/335962065.db2.gz YMTIPGMOJUSPAB-RYUDHWBXSA-N 1 2 303.366 2.908 20 30 DFEDLO CC(C)[C@@H]1CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329338556 335965616 /nfs/dbraw/zinc/96/56/16/335965616.db2.gz NDXVSFALGQTTEK-LSDHHAIUSA-N 1 2 320.437 2.532 20 30 DFEDLO Cc1cnc([C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000329428047 335975013 /nfs/dbraw/zinc/97/50/13/335975013.db2.gz JOOGSTRXHYEGNV-ZYHUDNBSSA-N 1 2 304.419 2.971 20 30 DFEDLO C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329504591 335985555 /nfs/dbraw/zinc/98/55/55/335985555.db2.gz IJJRBZMUMKIDKA-HBUWYVDXSA-N 1 2 319.449 2.979 20 30 DFEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000329607483 336004722 /nfs/dbraw/zinc/00/47/22/336004722.db2.gz MTRNKOZSVIUYNH-RRFJBIMHSA-N 1 2 302.422 2.972 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000329607483 336004723 /nfs/dbraw/zinc/00/47/23/336004723.db2.gz MTRNKOZSVIUYNH-RRFJBIMHSA-N 1 2 302.422 2.972 20 30 DFEDLO Cc1noc(C2CC2)c1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329623622 336015364 /nfs/dbraw/zinc/01/53/64/336015364.db2.gz ACBPPEMJRBSVHC-UHFFFAOYSA-N 1 2 315.377 2.919 20 30 DFEDLO N#CCSc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000351724720 336062708 /nfs/dbraw/zinc/06/27/08/336062708.db2.gz ZMTRYAGUZGYOFP-UHFFFAOYSA-N 1 2 322.393 2.880 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCCC[C@H]21 ZINC000329748738 336076713 /nfs/dbraw/zinc/07/67/13/336076713.db2.gz TWXSROKSJXKPBI-NFFDBFGFSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329748197 336076799 /nfs/dbraw/zinc/07/67/99/336076799.db2.gz SUVOYFARVRPGHH-KGLIPLIRSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329748197 336076801 /nfs/dbraw/zinc/07/68/01/336076801.db2.gz SUVOYFARVRPGHH-KGLIPLIRSA-N 1 2 304.438 2.939 20 30 DFEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329784523 336081314 /nfs/dbraw/zinc/08/13/14/336081314.db2.gz WCMQWEJRCYNWOZ-VFVRVIDISA-N 1 2 319.368 2.533 20 30 DFEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329784523 336081315 /nfs/dbraw/zinc/08/13/15/336081315.db2.gz WCMQWEJRCYNWOZ-VFVRVIDISA-N 1 2 319.368 2.533 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C=CCCC3)CC2)cc1 ZINC000329807503 336084402 /nfs/dbraw/zinc/08/44/02/336084402.db2.gz ORWOLJNXUFEOMJ-SFHVURJKSA-N 1 2 324.428 2.699 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329901448 336093660 /nfs/dbraw/zinc/09/36/60/336093660.db2.gz GYCRYFODKFTGSA-CGKSDVGLSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329901448 336093661 /nfs/dbraw/zinc/09/36/61/336093661.db2.gz GYCRYFODKFTGSA-CGKSDVGLSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329904022 336093785 /nfs/dbraw/zinc/09/37/85/336093785.db2.gz ISQXZMAUVMFODE-AAEZLKGMSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329904022 336093786 /nfs/dbraw/zinc/09/37/86/336093786.db2.gz ISQXZMAUVMFODE-AAEZLKGMSA-N 1 2 324.465 2.790 20 30 DFEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC12CCCC2 ZINC000329996436 336104289 /nfs/dbraw/zinc/10/42/89/336104289.db2.gz OWUYKPKMORRMOM-OAHLLOKOSA-N 1 2 315.417 2.955 20 30 DFEDLO [O-]C(N[C@@H]1C[C@H]1C1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177894 336121114 /nfs/dbraw/zinc/12/11/14/336121114.db2.gz DHPMFEMKDYTOCV-QLFBSQMISA-N 1 2 302.422 2.670 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000330177894 336121115 /nfs/dbraw/zinc/12/11/15/336121115.db2.gz DHPMFEMKDYTOCV-QLFBSQMISA-N 1 2 302.422 2.670 20 30 DFEDLO CC(C)C1(C)CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330182660 336121488 /nfs/dbraw/zinc/12/14/88/336121488.db2.gz HJJQCAJOTPQATK-AWEZNQCLSA-N 1 2 304.438 2.870 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330279392 336133023 /nfs/dbraw/zinc/13/30/23/336133023.db2.gz QYRJFGHWQJVVQW-BARDWOONSA-N 1 2 302.422 2.765 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330279392 336133024 /nfs/dbraw/zinc/13/30/24/336133024.db2.gz QYRJFGHWQJVVQW-BARDWOONSA-N 1 2 302.422 2.765 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000331543560 336139719 /nfs/dbraw/zinc/13/97/19/336139719.db2.gz FXILSSULPCWJSY-RRFJBIMHSA-N 1 2 315.421 2.832 20 30 DFEDLO Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C#N)sc2c1 ZINC000331559996 336140264 /nfs/dbraw/zinc/14/02/64/336140264.db2.gz XWRZNFFJOCJFMZ-VXGBXAGGSA-N 1 2 314.414 2.825 20 30 DFEDLO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330314794 336152360 /nfs/dbraw/zinc/15/23/60/336152360.db2.gz YFHZVQLNDGYHMH-YESZJQIVSA-N 1 2 310.401 2.818 20 30 DFEDLO [O-]C(=[NH+][C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330314794 336152361 /nfs/dbraw/zinc/15/23/61/336152361.db2.gz YFHZVQLNDGYHMH-YESZJQIVSA-N 1 2 310.401 2.818 20 30 DFEDLO Cn1c(C[NH2+][C@@H]2CCC[C@H]2C#N)nnc1-c1ccc(Cl)cc1 ZINC000332224908 336163868 /nfs/dbraw/zinc/16/38/68/336163868.db2.gz ZKWKNRZWNDOSJV-GXTWGEPZSA-N 1 2 315.808 2.917 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332722823 336180224 /nfs/dbraw/zinc/18/02/24/336180224.db2.gz OVPMVHTURLCTNU-IBGZPJMESA-N 1 2 313.445 2.834 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332722823 336180225 /nfs/dbraw/zinc/18/02/25/336180225.db2.gz OVPMVHTURLCTNU-IBGZPJMESA-N 1 2 313.445 2.834 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000352039727 336191225 /nfs/dbraw/zinc/19/12/25/336191225.db2.gz RDGWKZYNLMUHPH-GOSISDBHSA-N 1 2 320.433 2.894 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000333575008 336206271 /nfs/dbraw/zinc/20/62/71/336206271.db2.gz JGBNTBGRCIWJHT-YUTCNCBUSA-N 1 2 303.793 2.727 20 30 DFEDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448233 336219677 /nfs/dbraw/zinc/21/96/77/336219677.db2.gz FWBXBDGZNIQETL-KGLIPLIRSA-N 1 2 315.392 2.680 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC#Cc1ccccc1 ZINC000352449834 336219802 /nfs/dbraw/zinc/21/98/02/336219802.db2.gz DOMLUTZEYHZKEH-UHFFFAOYSA-N 1 2 317.392 2.903 20 30 DFEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352458973 336220480 /nfs/dbraw/zinc/22/04/80/336220480.db2.gz RFONHHHTYJOCLI-ZDUSSCGKSA-N 1 2 303.381 2.904 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482741 336221312 /nfs/dbraw/zinc/22/13/12/336221312.db2.gz HTRGQQTVPVAJOO-BARDWOONSA-N 1 2 309.429 2.643 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903331 336375547 /nfs/dbraw/zinc/37/55/47/336375547.db2.gz QBKRPDQICRSIKU-OAHLLOKOSA-N 1 2 304.438 2.533 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903331 336375548 /nfs/dbraw/zinc/37/55/48/336375548.db2.gz QBKRPDQICRSIKU-OAHLLOKOSA-N 1 2 304.438 2.533 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000353015387 336382052 /nfs/dbraw/zinc/38/20/52/336382052.db2.gz UTBABAVTTNMFTH-YQQAZPJKSA-N 1 2 305.422 2.521 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000514612478 336386242 /nfs/dbraw/zinc/38/62/42/336386242.db2.gz RZKCGMKYAJNELD-ZDUSSCGKSA-N 1 2 303.797 2.917 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000354588800 336475890 /nfs/dbraw/zinc/47/58/90/336475890.db2.gz XBXKSVRLCYUYCE-JTQLQIEISA-N 1 2 320.343 2.631 20 30 DFEDLO C=CCOCC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000354767376 336481572 /nfs/dbraw/zinc/48/15/72/336481572.db2.gz IRFRKBLQFLCGLT-CQSZACIVSA-N 1 2 322.836 2.748 20 30 DFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000367245448 336562731 /nfs/dbraw/zinc/56/27/31/336562731.db2.gz XMZJFWOBNCKQBB-UHFFFAOYSA-N 1 2 311.360 2.984 20 30 DFEDLO CC#CCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000361291778 336748909 /nfs/dbraw/zinc/74/89/09/336748909.db2.gz RXSZTVIDMYMEMD-UHFFFAOYSA-N 1 2 314.433 2.531 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000361938118 336779068 /nfs/dbraw/zinc/77/90/68/336779068.db2.gz JMCVFBFPWBEGJU-SFHVURJKSA-N 1 2 307.353 2.728 20 30 DFEDLO N#CCN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000362984738 336816956 /nfs/dbraw/zinc/81/69/56/336816956.db2.gz VJRSGHWUXQQZCO-INIZCTEOSA-N 1 2 320.396 2.855 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000121001778 336927749 /nfs/dbraw/zinc/92/77/49/336927749.db2.gz RPEOIWBULPXVOM-HZPDHXFCSA-N 1 2 308.385 2.607 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000374247623 336984677 /nfs/dbraw/zinc/98/46/77/336984677.db2.gz GJTDWRKOOSVLOB-NRXISQOPSA-N 1 2 315.421 2.976 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722937 337034242 /nfs/dbraw/zinc/03/42/42/337034242.db2.gz KNQDQQVPCXTIRR-HOTGVXAUSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722937 337034243 /nfs/dbraw/zinc/03/42/43/337034243.db2.gz KNQDQQVPCXTIRR-HOTGVXAUSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722937 337034244 /nfs/dbraw/zinc/03/42/44/337034244.db2.gz KNQDQQVPCXTIRR-HOTGVXAUSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722937 337034245 /nfs/dbraw/zinc/03/42/45/337034245.db2.gz KNQDQQVPCXTIRR-HOTGVXAUSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000378301762 337069616 /nfs/dbraw/zinc/06/96/16/337069616.db2.gz PDVBZYVJQVVUTF-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000378301762 337069617 /nfs/dbraw/zinc/06/96/17/337069617.db2.gz PDVBZYVJQVVUTF-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000172309584 337091745 /nfs/dbraw/zinc/09/17/45/337091745.db2.gz ZKGFMFTXTSMTGK-UGSOOPFHSA-N 1 2 310.401 2.933 20 30 DFEDLO C#CCCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000174076615 337139155 /nfs/dbraw/zinc/13/91/55/337139155.db2.gz LCWTWFQVYHIOHV-UHFFFAOYSA-N 1 2 314.433 2.675 20 30 DFEDLO C=CCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000175327207 337145207 /nfs/dbraw/zinc/14/52/07/337145207.db2.gz JSWSLKHYQLCRDL-GJZGRUSLSA-N 1 2 317.433 2.668 20 30 DFEDLO C=CCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000175327220 337145378 /nfs/dbraw/zinc/14/53/78/337145378.db2.gz JSWSLKHYQLCRDL-HUUCEWRRSA-N 1 2 317.433 2.668 20 30 DFEDLO COC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000177045620 337154173 /nfs/dbraw/zinc/15/41/73/337154173.db2.gz ZZHXOYXCKMTPHC-UHFFFAOYSA-N 1 2 313.319 2.940 20 30 DFEDLO COC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000177045620 337154174 /nfs/dbraw/zinc/15/41/74/337154174.db2.gz ZZHXOYXCKMTPHC-UHFFFAOYSA-N 1 2 313.319 2.940 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178351422 337164109 /nfs/dbraw/zinc/16/41/09/337164109.db2.gz GZWGVJJSIZNJLS-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000182144302 337186808 /nfs/dbraw/zinc/18/68/08/337186808.db2.gz KCDGYILOORZLLX-QWHCGFSZSA-N 1 2 310.357 2.690 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000582967296 337223537 /nfs/dbraw/zinc/22/35/37/337223537.db2.gz DROOOWWLDYXJTC-INIZCTEOSA-N 1 2 319.836 2.623 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191075414 337293576 /nfs/dbraw/zinc/29/35/76/337293576.db2.gz MQSLKCXTFZUQCI-GOSISDBHSA-N 1 2 316.445 2.875 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191075414 337293577 /nfs/dbraw/zinc/29/35/77/337293577.db2.gz MQSLKCXTFZUQCI-GOSISDBHSA-N 1 2 316.445 2.875 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191090103 337293799 /nfs/dbraw/zinc/29/37/99/337293799.db2.gz GWRSZBIJZNEEHP-CQSZACIVSA-N 1 2 313.401 2.696 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191090103 337293800 /nfs/dbraw/zinc/29/38/00/337293800.db2.gz GWRSZBIJZNEEHP-CQSZACIVSA-N 1 2 313.401 2.696 20 30 DFEDLO N#CCCC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000584466349 337347190 /nfs/dbraw/zinc/34/71/90/337347190.db2.gz NJEFRNOQRJNMAW-UHFFFAOYSA-N 1 2 311.389 2.560 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000584561789 337361363 /nfs/dbraw/zinc/36/13/63/337361363.db2.gz ZUQCWOKKAAAJNZ-LBPRGKRZSA-N 1 2 321.446 2.959 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000584561789 337361364 /nfs/dbraw/zinc/36/13/64/337361364.db2.gz ZUQCWOKKAAAJNZ-LBPRGKRZSA-N 1 2 321.446 2.959 20 30 DFEDLO CCCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000106801413 337387217 /nfs/dbraw/zinc/38/72/17/337387217.db2.gz XKMAINNLDJIODE-SFHVURJKSA-N 1 2 323.525 2.975 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000120071355 337395363 /nfs/dbraw/zinc/39/53/63/337395363.db2.gz GLUQDVTZKMIBJB-HNNXBMFYSA-N 1 2 314.433 2.675 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C#N)CC1 ZINC000057876799 337458176 /nfs/dbraw/zinc/45/81/76/337458176.db2.gz VZZOCJINOBOGSS-HUUCEWRRSA-N 1 2 311.429 2.978 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(C)ccc2OC(F)F)nn1 ZINC000424176414 337797049 /nfs/dbraw/zinc/79/70/49/337797049.db2.gz XOUCDYBERAWUBX-UHFFFAOYSA-N 1 2 308.332 2.664 20 30 DFEDLO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000514941293 337974672 /nfs/dbraw/zinc/97/46/72/337974672.db2.gz BSHFCFUYEBUSIF-YQVWRLOYSA-N 1 2 313.445 2.874 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000515069652 337978061 /nfs/dbraw/zinc/97/80/61/337978061.db2.gz KBOICXWGGQJGLU-OAHLLOKOSA-N 1 2 317.437 2.684 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430258156 338103341 /nfs/dbraw/zinc/10/33/41/338103341.db2.gz NPGRIOKRGYXVFV-MRXNPFEDSA-N 1 2 310.401 2.596 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431964165 338142777 /nfs/dbraw/zinc/14/27/77/338142777.db2.gz MUZAMOBENASNMY-HNNXBMFYSA-N 1 2 311.389 2.654 20 30 DFEDLO CN(C)c1ccc(CNC(=O)[C@@H](C#N)CCc2ccccc2)c[nH+]1 ZINC000433221364 338186400 /nfs/dbraw/zinc/18/64/00/338186400.db2.gz SUOQUZVKGVVIJK-QGZVFWFLSA-N 1 2 322.412 2.536 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433289124 338189403 /nfs/dbraw/zinc/18/94/03/338189403.db2.gz OWYAQTHLPCSVSR-HNNXBMFYSA-N 1 2 312.417 2.803 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433289124 338189404 /nfs/dbraw/zinc/18/94/04/338189404.db2.gz OWYAQTHLPCSVSR-HNNXBMFYSA-N 1 2 312.417 2.803 20 30 DFEDLO C[N@H+](CC(=O)NCCCSc1ccccc1)CC(C)(C)C#N ZINC000433314228 338191768 /nfs/dbraw/zinc/19/17/68/338191768.db2.gz UOXSQKOPTGEPHV-UHFFFAOYSA-N 1 2 319.474 2.767 20 30 DFEDLO C[N@@H+](CC(=O)NCCCSc1ccccc1)CC(C)(C)C#N ZINC000433314228 338191769 /nfs/dbraw/zinc/19/17/69/338191769.db2.gz UOXSQKOPTGEPHV-UHFFFAOYSA-N 1 2 319.474 2.767 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000437570586 338313843 /nfs/dbraw/zinc/31/38/43/338313843.db2.gz SGNBJMUVHCDIJU-INIZCTEOSA-N 1 2 321.808 2.833 20 30 DFEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1cccnc1 ZINC000439542515 338372773 /nfs/dbraw/zinc/37/27/73/338372773.db2.gz PIXLWHDAHHHMOK-UHFFFAOYSA-N 1 2 312.402 2.552 20 30 DFEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000447309310 338549031 /nfs/dbraw/zinc/54/90/31/338549031.db2.gz MNXCXVYMGDPDBH-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC)cc1 ZINC000449259089 338607688 /nfs/dbraw/zinc/60/76/88/338607688.db2.gz PQEYISKQFQESPX-HQVVEAJESA-N 1 2 316.401 2.971 20 30 DFEDLO C=C(CC)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449733797 338648746 /nfs/dbraw/zinc/64/87/46/338648746.db2.gz KFHPIEBSMPJBKU-OAHLLOKOSA-N 1 2 300.362 2.974 20 30 DFEDLO CSCC[C@@H]([NH2+]CC1(C#N)CCC1)c1nnc2ccccn21 ZINC000450722626 338701358 /nfs/dbraw/zinc/70/13/58/338701358.db2.gz DIFKJHXFYNPHCN-CYBMUJFWSA-N 1 2 315.446 2.807 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452558552 338771150 /nfs/dbraw/zinc/77/11/50/338771150.db2.gz WSQJIVQGIYFPMM-GJZGRUSLSA-N 1 2 310.401 2.933 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455900056 338913357 /nfs/dbraw/zinc/91/33/57/338913357.db2.gz BKCVNKKTAMIDIL-OAHLLOKOSA-N 1 2 309.373 2.759 20 30 DFEDLO CC(C)(CC#N)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000457988329 338984895 /nfs/dbraw/zinc/98/48/95/338984895.db2.gz CAXIGFDZVHWTQA-UHFFFAOYSA-N 1 2 310.401 2.530 20 30 DFEDLO CN(C(=O)NCC1(CC#N)CC1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458732607 339004272 /nfs/dbraw/zinc/00/42/72/339004272.db2.gz MHWCBKNFDMAPPG-OAHLLOKOSA-N 1 2 323.400 2.834 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000488776426 339793273 /nfs/dbraw/zinc/79/32/73/339793273.db2.gz NYIYAUHWEXLCOA-UHFFFAOYSA-N 1 2 306.369 2.994 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(C)(C)C ZINC000491483244 339863815 /nfs/dbraw/zinc/86/38/15/339863815.db2.gz AJVZQCDCQYUYLE-ZDUSSCGKSA-N 1 2 318.808 2.835 20 30 DFEDLO C#C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(C)(C)C ZINC000491621632 339868829 /nfs/dbraw/zinc/86/88/29/339868829.db2.gz OINIJPZXDSURBZ-MNOVXSKESA-N 1 2 315.339 2.620 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510098932 340288680 /nfs/dbraw/zinc/28/86/80/340288680.db2.gz LTZJOCRXMCFHBN-CQSZACIVSA-N 1 2 301.381 2.598 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)C(C)C ZINC000525998505 340708059 /nfs/dbraw/zinc/70/80/59/340708059.db2.gz ZRSDZEOCZDKESA-UHFFFAOYSA-N 1 2 320.343 2.774 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC#N)CC1 ZINC000542881231 341025150 /nfs/dbraw/zinc/02/51/50/341025150.db2.gz BUZFZTDMWSJFMN-NSHDSACASA-N 1 2 307.344 2.917 20 30 DFEDLO C=CCOCc1nc(-c2ccc(C)[nH+]c2N2CCCC2)no1 ZINC000547081897 341194943 /nfs/dbraw/zinc/19/49/43/341194943.db2.gz QIUYTSYMIXFPCY-UHFFFAOYSA-N 1 2 300.362 2.743 20 30 DFEDLO Cc1cccn2cc(Cc3noc(C4(C#N)CCCC4)n3)[nH+]c12 ZINC000547090188 341195450 /nfs/dbraw/zinc/19/54/50/341195450.db2.gz ULZCVEDVKAKNKF-UHFFFAOYSA-N 1 2 307.357 2.952 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134010085 341204510 /nfs/dbraw/zinc/20/45/10/341204510.db2.gz GAFPTDMFQDUFHG-CQSZACIVSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134010085 341204511 /nfs/dbraw/zinc/20/45/11/341204511.db2.gz GAFPTDMFQDUFHG-CQSZACIVSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134010296 341204594 /nfs/dbraw/zinc/20/45/94/341204594.db2.gz GAFPTDMFQDUFHG-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134010296 341204595 /nfs/dbraw/zinc/20/45/95/341204595.db2.gz GAFPTDMFQDUFHG-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO N#CCC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548279375 341254050 /nfs/dbraw/zinc/25/40/50/341254050.db2.gz HJHUTNIIVZGPEB-HOTGVXAUSA-N 1 2 323.400 2.542 20 30 DFEDLO COc1ccc(Br)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000548788403 341275645 /nfs/dbraw/zinc/27/56/45/341275645.db2.gz WXTHRFRLFAQYOP-NSHDSACASA-N 1 2 322.206 2.991 20 30 DFEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(N)=O)C1 ZINC000249541525 341399107 /nfs/dbraw/zinc/39/91/07/341399107.db2.gz FBRPHMWJFKYFFF-SWLSCSKDSA-N 1 2 324.346 2.643 20 30 DFEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(N)=O)C1 ZINC000249541525 341399108 /nfs/dbraw/zinc/39/91/08/341399108.db2.gz FBRPHMWJFKYFFF-SWLSCSKDSA-N 1 2 324.346 2.643 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000576579382 341853391 /nfs/dbraw/zinc/85/33/91/341853391.db2.gz CYRUZDDTTSEOIC-MRXNPFEDSA-N 1 2 323.400 2.565 20 30 DFEDLO CC1(C#N)CCC(Nc2ccc(N3CCOCC3)c[nH+]2)CC1 ZINC000577262488 341900987 /nfs/dbraw/zinc/90/09/87/341900987.db2.gz XVHAWUDIXOTZSO-UHFFFAOYSA-N 1 2 300.406 2.803 20 30 DFEDLO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000296705558 534761503 /nfs/dbraw/zinc/76/15/03/534761503.db2.gz RHRWSIQCCMUYTK-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365202990 526189458 /nfs/dbraw/zinc/18/94/58/526189458.db2.gz RFMHVNMAWDPDBA-HNNXBMFYSA-N 1 2 308.385 2.620 20 30 DFEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000021585838 526261615 /nfs/dbraw/zinc/26/16/15/526261615.db2.gz XBKYOLQCOVKIPI-SMDDNHRTSA-N 1 2 323.824 2.672 20 30 DFEDLO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000157675122 526569998 /nfs/dbraw/zinc/56/99/98/526569998.db2.gz KYWKHSDDTVUMPU-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO CC(C)[N@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362921683 535122505 /nfs/dbraw/zinc/12/25/05/535122505.db2.gz HWYZKBAXWJOSOM-UHFFFAOYSA-N 1 2 319.359 2.825 20 30 DFEDLO CC(C)[N@@H+](Cc1ncnn1CC(F)F)Cc1ccc(C#N)cc1 ZINC000362921683 535122510 /nfs/dbraw/zinc/12/25/10/535122510.db2.gz HWYZKBAXWJOSOM-UHFFFAOYSA-N 1 2 319.359 2.825 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000683501657 546045970 /nfs/dbraw/zinc/04/59/70/546045970.db2.gz ACHOYQBYZXGYMQ-HNNXBMFYSA-N 1 2 303.406 2.545 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccs1 ZINC000076650720 185028947 /nfs/dbraw/zinc/02/89/47/185028947.db2.gz GXEZYDWLIBGNBT-AWEZNQCLSA-N 1 2 305.447 2.744 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccs1 ZINC000076650720 185028949 /nfs/dbraw/zinc/02/89/49/185028949.db2.gz GXEZYDWLIBGNBT-AWEZNQCLSA-N 1 2 305.447 2.744 20 30 DFEDLO C=CCCCN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000076946001 185059822 /nfs/dbraw/zinc/05/98/22/185059822.db2.gz ZVNCAVQBXPLQKA-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@@H](C)C#N ZINC000066424374 398376823 /nfs/dbraw/zinc/37/68/23/398376823.db2.gz FENKZVIEOPLITF-UONOGXRCSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@@H](C)C#N ZINC000066424374 398376825 /nfs/dbraw/zinc/37/68/25/398376825.db2.gz FENKZVIEOPLITF-UONOGXRCSA-N 1 2 305.447 2.893 20 30 DFEDLO COc1cc[nH+]c(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000579077426 398377860 /nfs/dbraw/zinc/37/78/60/398377860.db2.gz VPUHCUCSAYAXNA-DLBZAZTESA-N 1 2 301.390 2.517 20 30 DFEDLO CCCCCC(=O)NC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592066296 398378424 /nfs/dbraw/zinc/37/84/24/398378424.db2.gz PGICJSCQIYFOBJ-UHFFFAOYSA-N 1 2 314.433 2.614 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000066469536 398379659 /nfs/dbraw/zinc/37/96/59/398379659.db2.gz XGQUJVLAFLTWJL-MNOVXSKESA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000066469536 398379662 /nfs/dbraw/zinc/37/96/62/398379662.db2.gz XGQUJVLAFLTWJL-MNOVXSKESA-N 1 2 317.216 2.825 20 30 DFEDLO CC(C)([NH2+]Cc1ccncc1C#N)C(=O)NCC1CCCCC1 ZINC000592089996 398382544 /nfs/dbraw/zinc/38/25/44/398382544.db2.gz MWWDMXSDVIYDMI-UHFFFAOYSA-N 1 2 314.433 2.518 20 30 DFEDLO CC1CC(C#N)(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000581018644 398386816 /nfs/dbraw/zinc/38/68/16/398386816.db2.gz MFOTVRYJAAXZBD-NGPHNNASSA-N 1 2 312.417 2.861 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000581187275 398388563 /nfs/dbraw/zinc/38/85/63/398388563.db2.gz RFHNYRUQHYVJDE-BFUOFWGJSA-N 1 2 322.412 2.894 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000592134866 398389614 /nfs/dbraw/zinc/38/96/14/398389614.db2.gz OSPVXZQXSUYLPD-XJKSGUPXSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000592134866 398389616 /nfs/dbraw/zinc/38/96/16/398389616.db2.gz OSPVXZQXSUYLPD-XJKSGUPXSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146685 398391331 /nfs/dbraw/zinc/39/13/31/398391331.db2.gz JXIOUEKWBZBLAF-LIRRHRJNSA-N 1 2 323.396 2.517 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146685 398391333 /nfs/dbraw/zinc/39/13/33/398391333.db2.gz JXIOUEKWBZBLAF-LIRRHRJNSA-N 1 2 323.396 2.517 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000592146495 398391406 /nfs/dbraw/zinc/39/14/06/398391406.db2.gz IPLBAWWGCKSLGS-KRWDZBQOSA-N 1 2 313.426 2.584 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000592146495 398391409 /nfs/dbraw/zinc/39/14/09/398391409.db2.gz IPLBAWWGCKSLGS-KRWDZBQOSA-N 1 2 313.426 2.584 20 30 DFEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146684 398391007 /nfs/dbraw/zinc/39/10/07/398391007.db2.gz JXIOUEKWBZBLAF-KUHUBIRLSA-N 1 2 323.396 2.517 20 30 DFEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146684 398391008 /nfs/dbraw/zinc/39/10/08/398391008.db2.gz JXIOUEKWBZBLAF-KUHUBIRLSA-N 1 2 323.396 2.517 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000084860541 398410176 /nfs/dbraw/zinc/41/01/76/398410176.db2.gz VNFXNVSRCFZLLO-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000022094892 398415532 /nfs/dbraw/zinc/41/55/32/398415532.db2.gz KMKDSURHKYWBBG-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000596449632 398415924 /nfs/dbraw/zinc/41/59/24/398415924.db2.gz OGEFNMVEUDYXIP-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228569 398423697 /nfs/dbraw/zinc/42/36/97/398423697.db2.gz MPYSHRQRYWDENY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228569 398423699 /nfs/dbraw/zinc/42/36/99/398423699.db2.gz MPYSHRQRYWDENY-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907772 334954043 /nfs/dbraw/zinc/95/40/43/334954043.db2.gz TXOVCJZDSPLIMG-LLVKDONJSA-N 1 2 321.808 2.911 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592355 398455688 /nfs/dbraw/zinc/45/56/88/398455688.db2.gz NXLJAJKSHAHEDA-SJLPKXTDSA-N 1 2 314.433 2.519 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592355 398455689 /nfs/dbraw/zinc/45/56/89/398455689.db2.gz NXLJAJKSHAHEDA-SJLPKXTDSA-N 1 2 314.433 2.519 20 30 DFEDLO C#CC[NH+]1CCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000089592862 398457842 /nfs/dbraw/zinc/45/78/42/398457842.db2.gz WAVKIWAEPLWRQZ-UHFFFAOYSA-N 1 2 303.768 2.783 20 30 DFEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CCC#N)CC1 ZINC000026886855 398457563 /nfs/dbraw/zinc/45/75/63/398457563.db2.gz KPEBFZHWFNDCDU-ZDUSSCGKSA-N 1 2 300.431 2.889 20 30 DFEDLO CC1(C)CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657993 398473489 /nfs/dbraw/zinc/47/34/89/398473489.db2.gz FONNUTJWDAMTOP-KRWDZBQOSA-N 1 2 311.429 2.639 20 30 DFEDLO COc1ccc([C@@H](Nc2ncccc2C#N)c2[nH+]ccn2C)cc1 ZINC000028620607 398474132 /nfs/dbraw/zinc/47/41/32/398474132.db2.gz AQSWCNWXHRXXIC-MRXNPFEDSA-N 1 2 319.368 2.897 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 ZINC000028896492 398477247 /nfs/dbraw/zinc/47/72/47/398477247.db2.gz YBDYRWFPARUZLY-UHFFFAOYSA-N 1 2 322.412 2.908 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 ZINC000028896492 398477251 /nfs/dbraw/zinc/47/72/51/398477251.db2.gz YBDYRWFPARUZLY-UHFFFAOYSA-N 1 2 322.412 2.908 20 30 DFEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000083417143 192370293 /nfs/dbraw/zinc/37/02/93/192370293.db2.gz CXPZUVALJLUONU-LBPRGKRZSA-N 1 2 321.471 2.552 20 30 DFEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000083417143 192370294 /nfs/dbraw/zinc/37/02/94/192370294.db2.gz CXPZUVALJLUONU-LBPRGKRZSA-N 1 2 321.471 2.552 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596748262 398492226 /nfs/dbraw/zinc/49/22/26/398492226.db2.gz OMFVEGPTJAIUPR-MRXNPFEDSA-N 1 2 322.412 2.825 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596748262 398492232 /nfs/dbraw/zinc/49/22/32/398492232.db2.gz OMFVEGPTJAIUPR-MRXNPFEDSA-N 1 2 322.412 2.825 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)C(C)C)c1C#N ZINC000091068878 398506812 /nfs/dbraw/zinc/50/68/12/398506812.db2.gz AJMNASQTHLCJHH-CQSZACIVSA-N 1 2 312.417 2.644 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)C(C)C)c1C#N ZINC000091068878 398506813 /nfs/dbraw/zinc/50/68/13/398506813.db2.gz AJMNASQTHLCJHH-CQSZACIVSA-N 1 2 312.417 2.644 20 30 DFEDLO COC[C@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071892 398508517 /nfs/dbraw/zinc/50/85/17/398508517.db2.gz MSTPKUIXJRGHPP-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO COC[C@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071892 398508518 /nfs/dbraw/zinc/50/85/18/398508518.db2.gz MSTPKUIXJRGHPP-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000596827696 398508686 /nfs/dbraw/zinc/50/86/86/398508686.db2.gz QNXFVSDRHCESKI-RRFJBIMHSA-N 1 2 315.417 2.784 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592953654 398511513 /nfs/dbraw/zinc/51/15/13/398511513.db2.gz XEELRQJCWVGDRQ-QAPCUYQASA-N 1 2 320.396 2.511 20 30 DFEDLO N#CC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC000596861626 398516336 /nfs/dbraw/zinc/51/63/36/398516336.db2.gz ODAHYVBCEPCJIB-UHFFFAOYSA-N 1 2 315.421 2.773 20 30 DFEDLO N#CC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000596861626 398516339 /nfs/dbraw/zinc/51/63/39/398516339.db2.gz ODAHYVBCEPCJIB-UHFFFAOYSA-N 1 2 315.421 2.773 20 30 DFEDLO N#CC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000596866158 398517873 /nfs/dbraw/zinc/51/78/73/398517873.db2.gz KUVHHCOBXOLLPZ-UHFFFAOYSA-N 1 2 315.421 2.704 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000593012564 398519616 /nfs/dbraw/zinc/51/96/16/398519616.db2.gz ZBLZRHCVRIVSCL-UHFFFAOYSA-N 1 2 322.412 2.744 20 30 DFEDLO Cc1ccc(C#N)nc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000589105528 398526474 /nfs/dbraw/zinc/52/64/74/398526474.db2.gz NTAYJANUSYHZGC-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 ZINC000589127242 398528011 /nfs/dbraw/zinc/52/80/11/398528011.db2.gz FFISXRUNVQWUNL-GFCCVEGCSA-N 1 2 300.387 2.721 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056113 398532867 /nfs/dbraw/zinc/53/28/67/398532867.db2.gz YEGPUHDVEGAHSU-IRXDYDNUSA-N 1 2 316.401 2.662 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056113 398532873 /nfs/dbraw/zinc/53/28/73/398532873.db2.gz YEGPUHDVEGAHSU-IRXDYDNUSA-N 1 2 316.401 2.662 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279721400 215091158 /nfs/dbraw/zinc/09/11/58/215091158.db2.gz MKXCCFLILFSBKT-CQSZACIVSA-N 1 2 315.385 2.799 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279721400 215091161 /nfs/dbraw/zinc/09/11/61/215091161.db2.gz MKXCCFLILFSBKT-CQSZACIVSA-N 1 2 315.385 2.799 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596986951 398541477 /nfs/dbraw/zinc/54/14/77/398541477.db2.gz ZTQYVMZQWIYDNO-KRWDZBQOSA-N 1 2 322.412 2.754 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593091124 398542766 /nfs/dbraw/zinc/54/27/66/398542766.db2.gz FPQMBYUCPJEWDI-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593091124 398542771 /nfs/dbraw/zinc/54/27/71/398542771.db2.gz FPQMBYUCPJEWDI-GFCCVEGCSA-N 1 2 301.346 2.610 20 30 DFEDLO CC(C)n1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000279746744 215111988 /nfs/dbraw/zinc/11/19/88/215111988.db2.gz XQUXQDMGCMSHIS-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116887 398549715 /nfs/dbraw/zinc/54/97/15/398549715.db2.gz KDCUXISLJDVKJE-MEBBXXQBSA-N 1 2 323.343 2.826 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116887 398549716 /nfs/dbraw/zinc/54/97/16/398549716.db2.gz KDCUXISLJDVKJE-MEBBXXQBSA-N 1 2 323.343 2.826 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000126629051 185879532 /nfs/dbraw/zinc/87/95/32/185879532.db2.gz MUDGBTHMOQGBED-UONOGXRCSA-N 1 2 311.447 2.505 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000126629051 185879534 /nfs/dbraw/zinc/87/95/34/185879534.db2.gz MUDGBTHMOQGBED-UONOGXRCSA-N 1 2 311.447 2.505 20 30 DFEDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589505673 398557367 /nfs/dbraw/zinc/55/73/67/398557367.db2.gz MBPHKMSAIRROKP-LBPRGKRZSA-N 1 2 307.419 2.570 20 30 DFEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589505673 398557368 /nfs/dbraw/zinc/55/73/68/398557368.db2.gz MBPHKMSAIRROKP-LBPRGKRZSA-N 1 2 307.419 2.570 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000286967792 219249004 /nfs/dbraw/zinc/24/90/04/219249004.db2.gz NJQLZEVLFHIUMY-UHFFFAOYSA-N 1 2 323.425 2.517 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 ZINC000593153271 398559640 /nfs/dbraw/zinc/55/96/40/398559640.db2.gz KCRWJLJKUMOXFP-HNNXBMFYSA-N 1 2 305.765 2.660 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccccc2C)n1 ZINC000279810512 215166918 /nfs/dbraw/zinc/16/69/18/215166918.db2.gz XNUMWTPDSDGYAG-INIZCTEOSA-N 1 2 324.428 2.674 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccccc2C)n1 ZINC000279810512 215166920 /nfs/dbraw/zinc/16/69/20/215166920.db2.gz XNUMWTPDSDGYAG-INIZCTEOSA-N 1 2 324.428 2.674 20 30 DFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000597131317 398571832 /nfs/dbraw/zinc/57/18/32/398571832.db2.gz LLZMGTZWQRFRPN-UHFFFAOYSA-N 1 2 321.428 2.745 20 30 DFEDLO CC(C)[C@H]1N(c2[nH+]cnc3c2cnn3CCC#N)CC12CCC2 ZINC000589872627 398581034 /nfs/dbraw/zinc/58/10/34/398581034.db2.gz XQBNODKOQQDGDR-CQSZACIVSA-N 1 2 310.405 2.755 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000589984841 398587594 /nfs/dbraw/zinc/58/75/94/398587594.db2.gz YKMXQHRAKSWMNL-HNNXBMFYSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000589984841 398587596 /nfs/dbraw/zinc/58/75/96/398587596.db2.gz YKMXQHRAKSWMNL-HNNXBMFYSA-N 1 2 313.380 2.743 20 30 DFEDLO CC(C)([NH2+]Cc1ccnc(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000590020606 398590697 /nfs/dbraw/zinc/59/06/97/398590697.db2.gz ZJDFSGBQKSVKCC-UHFFFAOYSA-N 1 2 310.279 2.985 20 30 DFEDLO N#CCCCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350188768 398597804 /nfs/dbraw/zinc/59/78/04/398597804.db2.gz ZMSPZMYCRKHAIL-UONOGXRCSA-N 1 2 304.394 2.622 20 30 DFEDLO N#CCCCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350188768 398597809 /nfs/dbraw/zinc/59/78/09/398597809.db2.gz ZMSPZMYCRKHAIL-UONOGXRCSA-N 1 2 304.394 2.622 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597231333 398598523 /nfs/dbraw/zinc/59/85/23/398598523.db2.gz LAMIZQRBHBGYQI-SFHVURJKSA-N 1 2 320.400 2.594 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597231333 398598527 /nfs/dbraw/zinc/59/85/27/398598527.db2.gz LAMIZQRBHBGYQI-SFHVURJKSA-N 1 2 320.400 2.594 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CC1(C#N)CC1 ZINC000590281419 398609968 /nfs/dbraw/zinc/60/99/68/398609968.db2.gz BJTBYWFHSCXJSC-UHFFFAOYSA-N 1 2 308.385 2.584 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000590319149 398612783 /nfs/dbraw/zinc/61/27/83/398612783.db2.gz FWHXXFMWSXYQOT-GDBMZVCRSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000590319149 398612788 /nfs/dbraw/zinc/61/27/88/398612788.db2.gz FWHXXFMWSXYQOT-GDBMZVCRSA-N 1 2 319.355 2.520 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CC1(C#N)CC1)CCCC2 ZINC000590345363 398615433 /nfs/dbraw/zinc/61/54/33/398615433.db2.gz VKLRYGVDUSDYTQ-OAHLLOKOSA-N 1 2 312.417 2.656 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000331414581 233385895 /nfs/dbraw/zinc/38/58/95/233385895.db2.gz DBSMKMHNNDCWKT-HUUCEWRRSA-N 1 2 323.318 2.699 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cn2ccccc12 ZINC000331414581 233385902 /nfs/dbraw/zinc/38/59/02/233385902.db2.gz DBSMKMHNNDCWKT-HUUCEWRRSA-N 1 2 323.318 2.699 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000593462530 398635994 /nfs/dbraw/zinc/63/59/94/398635994.db2.gz VVRDYCYSPWXQRZ-OLZOCXBDSA-N 1 2 321.371 2.595 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000593462530 398635999 /nfs/dbraw/zinc/63/59/99/398635999.db2.gz VVRDYCYSPWXQRZ-OLZOCXBDSA-N 1 2 321.371 2.595 20 30 DFEDLO N#CC1(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000597432852 398639611 /nfs/dbraw/zinc/63/96/11/398639611.db2.gz NSCROTKRBKOMHN-OAHLLOKOSA-N 1 2 312.417 2.641 20 30 DFEDLO C#CCCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000179676893 186203768 /nfs/dbraw/zinc/20/37/68/186203768.db2.gz YKYAVOKHMDWKPA-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648846 398645544 /nfs/dbraw/zinc/64/55/44/398645544.db2.gz GNTARXZCDNSVEQ-PBHICJAKSA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000590648846 398645546 /nfs/dbraw/zinc/64/55/46/398645546.db2.gz GNTARXZCDNSVEQ-PBHICJAKSA-N 1 2 320.458 2.819 20 30 DFEDLO C[NH+](C)[C@H](CNc1cc(C#N)ccn1)c1c(F)cccc1F ZINC000287195671 219372807 /nfs/dbraw/zinc/37/28/07/219372807.db2.gz HLOCPRSVJZHKCP-CQSZACIVSA-N 1 2 302.328 2.946 20 30 DFEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774289 398652315 /nfs/dbraw/zinc/65/23/15/398652315.db2.gz GDVKKXCYELEMID-UHFFFAOYSA-N 1 2 317.433 2.519 20 30 DFEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000368774289 398652321 /nfs/dbraw/zinc/65/23/21/398652321.db2.gz GDVKKXCYELEMID-UHFFFAOYSA-N 1 2 317.433 2.519 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1nc3ccccc3c(C)c1C#N)CC2 ZINC000590696782 398654245 /nfs/dbraw/zinc/65/42/45/398654245.db2.gz GLYSEWBWAWWDFL-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757290 398668228 /nfs/dbraw/zinc/66/82/28/398668228.db2.gz KGESLCRGVRJBJW-UKRRQHHQSA-N 1 2 304.346 2.502 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757290 398668232 /nfs/dbraw/zinc/66/82/32/398668232.db2.gz KGESLCRGVRJBJW-UKRRQHHQSA-N 1 2 304.346 2.502 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000590761768 398669111 /nfs/dbraw/zinc/66/91/11/398669111.db2.gz LEMBMFVNTOOHED-HNNXBMFYSA-N 1 2 311.389 2.779 20 30 DFEDLO Cc1cc(NC(=O)N2CC(C#N)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000590826327 398682495 /nfs/dbraw/zinc/68/24/95/398682495.db2.gz GDWXWPOSPHYCTE-CYBMUJFWSA-N 1 2 313.405 2.756 20 30 DFEDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)n1 ZINC000173428987 198213891 /nfs/dbraw/zinc/21/38/91/198213891.db2.gz MIHAXBLEZMNXAY-UHFFFAOYSA-N 1 2 320.443 2.848 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000590836169 398684626 /nfs/dbraw/zinc/68/46/26/398684626.db2.gz DIJQOYZBLYZNND-LRDDRELGSA-N 1 2 323.400 2.822 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597796044 398697398 /nfs/dbraw/zinc/69/73/98/398697398.db2.gz IFXBAAJANXHXKU-IUODEOHRSA-N 1 2 308.385 2.606 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597796044 398697401 /nfs/dbraw/zinc/69/74/01/398697401.db2.gz IFXBAAJANXHXKU-IUODEOHRSA-N 1 2 308.385 2.606 20 30 DFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cn1 ZINC000593897293 398701649 /nfs/dbraw/zinc/70/16/49/398701649.db2.gz PWAQVFVGBPRDTA-SHTZXODSSA-N 1 2 321.384 2.501 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)NCCCn3cc[nH+]c3)CCC2)cc1 ZINC000593936772 398704984 /nfs/dbraw/zinc/70/49/84/398704984.db2.gz GYCZFVUIYNRVEY-UHFFFAOYSA-N 1 2 323.400 2.523 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000590956037 398707964 /nfs/dbraw/zinc/70/79/64/398707964.db2.gz IAYMEOVQKXYGKH-GOSISDBHSA-N 1 2 308.385 2.975 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000590956037 398707966 /nfs/dbraw/zinc/70/79/66/398707966.db2.gz IAYMEOVQKXYGKH-GOSISDBHSA-N 1 2 308.385 2.975 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000590958965 398708026 /nfs/dbraw/zinc/70/80/26/398708026.db2.gz ZFLSGFIQFUBUIR-GXFFZTMASA-N 1 2 319.206 2.879 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108858544 398716031 /nfs/dbraw/zinc/71/60/31/398716031.db2.gz NLGNUOZMYYBMKA-UHFFFAOYSA-N 1 2 322.412 2.747 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019313 398723216 /nfs/dbraw/zinc/72/32/16/398723216.db2.gz JXHIWCXWXIZODP-MRXNPFEDSA-N 1 2 311.385 2.537 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)CCCCC#N)C1CCOCC1 ZINC000594020065 398724185 /nfs/dbraw/zinc/72/41/85/398724185.db2.gz UZZSHGOJMUTZRO-MRXNPFEDSA-N 1 2 318.421 2.571 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000281542483 334980468 /nfs/dbraw/zinc/98/04/68/334980468.db2.gz ZKCRCACKJHPBDF-NVXWUHKLSA-N 1 2 316.449 2.825 20 30 DFEDLO CC(C)Cn1ncnc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033047 398726252 /nfs/dbraw/zinc/72/62/52/398726252.db2.gz FMRJQTDRRKEXKC-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO N#CCN1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591146578 398731928 /nfs/dbraw/zinc/73/19/28/398731928.db2.gz KWPUTIWYFVJQPC-UHFFFAOYSA-N 1 2 311.345 2.543 20 30 DFEDLO C[C@@H](C#N)N(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000598134420 398760321 /nfs/dbraw/zinc/76/03/21/398760321.db2.gz IDWWNDPVMMJMLG-XJKSGUPXSA-N 1 2 308.385 2.835 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](C2CCCC2)C1 ZINC000591462458 398764538 /nfs/dbraw/zinc/76/45/38/398764538.db2.gz KNAKDJLYATTYOF-AWEZNQCLSA-N 1 2 310.405 2.756 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000594232187 398769802 /nfs/dbraw/zinc/76/98/02/398769802.db2.gz WYQWYVFWKVONPZ-CQSZACIVSA-N 1 2 322.412 2.514 20 30 DFEDLO N#CCCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000594337852 398784517 /nfs/dbraw/zinc/78/45/17/398784517.db2.gz SAZUYLIYIUJIHO-UHFFFAOYSA-N 1 2 302.422 2.986 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)s1 ZINC000591849904 398794642 /nfs/dbraw/zinc/79/46/42/398794642.db2.gz MHUGRHGMVKJILK-LLVKDONJSA-N 1 2 315.398 2.961 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)s1 ZINC000591849906 398794752 /nfs/dbraw/zinc/79/47/52/398794752.db2.gz MHUGRHGMVKJILK-NSHDSACASA-N 1 2 315.398 2.961 20 30 DFEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCn2c[nH+]cc2C1 ZINC000370675102 283241748 /nfs/dbraw/zinc/24/17/48/283241748.db2.gz BPKOQEJZAHOGFI-UHFFFAOYSA-N 1 2 309.760 2.977 20 30 DFEDLO CN1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000594578365 398823409 /nfs/dbraw/zinc/82/34/09/398823409.db2.gz CRIPLKMOKODMEV-CQSZACIVSA-N 1 2 317.343 2.712 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073967 398831629 /nfs/dbraw/zinc/83/16/29/398831629.db2.gz ABEWSVMBBRIINR-GUYCJALGSA-N 1 2 305.397 2.873 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073967 398831632 /nfs/dbraw/zinc/83/16/32/398831632.db2.gz ABEWSVMBBRIINR-GUYCJALGSA-N 1 2 305.397 2.873 20 30 DFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592562 398838009 /nfs/dbraw/zinc/83/80/09/398838009.db2.gz MFKQALQHVDCIOM-HIFRSBDPSA-N 1 2 306.406 2.516 20 30 DFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592562 398838012 /nfs/dbraw/zinc/83/80/12/398838012.db2.gz MFKQALQHVDCIOM-HIFRSBDPSA-N 1 2 306.406 2.516 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(Br)cn1 ZINC000598615797 398841535 /nfs/dbraw/zinc/84/15/35/398841535.db2.gz FWOUZSBIFWLXIZ-SKDRFNHKSA-N 1 2 310.195 2.635 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CCCC1 ZINC000076153652 398843693 /nfs/dbraw/zinc/84/36/93/398843693.db2.gz TWGXYIQUWGHVEF-QZTJIDSGSA-N 1 2 311.429 2.817 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000076153652 398843695 /nfs/dbraw/zinc/84/36/95/398843695.db2.gz TWGXYIQUWGHVEF-QZTJIDSGSA-N 1 2 311.429 2.817 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CCCC1 ZINC000076153654 398843953 /nfs/dbraw/zinc/84/39/53/398843953.db2.gz TWGXYIQUWGHVEF-ZWKOTPCHSA-N 1 2 311.429 2.817 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000076153654 398843957 /nfs/dbraw/zinc/84/39/57/398843957.db2.gz TWGXYIQUWGHVEF-ZWKOTPCHSA-N 1 2 311.429 2.817 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594708687 398846143 /nfs/dbraw/zinc/84/61/43/398846143.db2.gz BQMPCKXLACHYLL-AAEUAGOBSA-N 1 2 303.328 2.910 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC1(C#N)CCCCC1 ZINC000594709189 398846556 /nfs/dbraw/zinc/84/65/56/398846556.db2.gz DKUUAGJGKONCGL-NWDGAFQWSA-N 1 2 306.435 2.525 20 30 DFEDLO C[C@H](c1ccccc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000076479473 398857507 /nfs/dbraw/zinc/85/75/07/398857507.db2.gz HDXSKZFDIATBGE-CQSZACIVSA-N 1 2 310.376 2.976 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052916772 398855952 /nfs/dbraw/zinc/85/59/52/398855952.db2.gz SNBYYXGSHGDZRQ-UHFFFAOYSA-N 1 2 324.428 2.505 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052916772 398855954 /nfs/dbraw/zinc/85/59/54/398855954.db2.gz SNBYYXGSHGDZRQ-UHFFFAOYSA-N 1 2 324.428 2.505 20 30 DFEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)NCC#N ZINC000076668706 398864507 /nfs/dbraw/zinc/86/45/07/398864507.db2.gz IOISMIUVPUPKBU-SECBINFHSA-N 1 2 300.189 2.626 20 30 DFEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)NCC#N ZINC000076668706 398864509 /nfs/dbraw/zinc/86/45/09/398864509.db2.gz IOISMIUVPUPKBU-SECBINFHSA-N 1 2 300.189 2.626 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000076849798 398873084 /nfs/dbraw/zinc/87/30/84/398873084.db2.gz VGRWBZVCHMLDFV-HNNXBMFYSA-N 1 2 302.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000076849798 398873088 /nfs/dbraw/zinc/87/30/88/398873088.db2.gz VGRWBZVCHMLDFV-HNNXBMFYSA-N 1 2 302.418 2.694 20 30 DFEDLO C[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181050671 199245335 /nfs/dbraw/zinc/24/53/35/199245335.db2.gz QMPVRAIZUULFMW-UHFFFAOYSA-N 1 2 307.401 2.994 20 30 DFEDLO C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181050671 199245337 /nfs/dbraw/zinc/24/53/37/199245337.db2.gz QMPVRAIZUULFMW-UHFFFAOYSA-N 1 2 307.401 2.994 20 30 DFEDLO CCCCn1nnnc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340634 398896549 /nfs/dbraw/zinc/89/65/49/398896549.db2.gz YMQSYDOUTXMMCL-CQSZACIVSA-N 1 2 312.421 2.928 20 30 DFEDLO CCCCn1nnnc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340634 398896553 /nfs/dbraw/zinc/89/65/53/398896553.db2.gz YMQSYDOUTXMMCL-CQSZACIVSA-N 1 2 312.421 2.928 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000143107844 398900785 /nfs/dbraw/zinc/90/07/85/398900785.db2.gz CGWJXMRUNFGGTI-SOUVJXGZSA-N 1 2 301.434 2.906 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000143107844 398900787 /nfs/dbraw/zinc/90/07/87/398900787.db2.gz CGWJXMRUNFGGTI-SOUVJXGZSA-N 1 2 301.434 2.906 20 30 DFEDLO N#Cc1cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000077498495 398907139 /nfs/dbraw/zinc/90/71/39/398907139.db2.gz LEUSHBAQONEYMC-UHFFFAOYSA-N 1 2 313.336 2.552 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187172182 200072006 /nfs/dbraw/zinc/07/20/06/200072006.db2.gz CVCLNCWTEIIPIM-AWEZNQCLSA-N 1 2 324.833 2.692 20 30 DFEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187172182 200072008 /nfs/dbraw/zinc/07/20/08/200072008.db2.gz CVCLNCWTEIIPIM-AWEZNQCLSA-N 1 2 324.833 2.692 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000599021769 398908815 /nfs/dbraw/zinc/90/88/15/398908815.db2.gz FLIBJVNTPNUFLD-BBRMVZONSA-N 1 2 308.385 2.503 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000151123165 398924055 /nfs/dbraw/zinc/92/40/55/398924055.db2.gz RINNJFISDMMXGK-SFHVURJKSA-N 1 2 314.429 2.923 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000151123165 398924057 /nfs/dbraw/zinc/92/40/57/398924057.db2.gz RINNJFISDMMXGK-SFHVURJKSA-N 1 2 314.429 2.923 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC#Cc1ccccc1 ZINC000055317326 398926696 /nfs/dbraw/zinc/92/66/96/398926696.db2.gz ZFQJWZXXBWVUEY-UHFFFAOYSA-N 1 2 317.392 2.767 20 30 DFEDLO CCC(C#N)(CC)c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000599149600 398929405 /nfs/dbraw/zinc/92/94/05/398929405.db2.gz DEDWVHVUUOLQCC-OLZOCXBDSA-N 1 2 304.394 2.577 20 30 DFEDLO CCC(C#N)(CC)c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000599149600 398929410 /nfs/dbraw/zinc/92/94/10/398929410.db2.gz DEDWVHVUUOLQCC-OLZOCXBDSA-N 1 2 304.394 2.577 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000189104885 200348881 /nfs/dbraw/zinc/34/88/81/200348881.db2.gz HCORMHQMUQMJFN-KRWDZBQOSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000189104885 200348882 /nfs/dbraw/zinc/34/88/82/200348882.db2.gz HCORMHQMUQMJFN-KRWDZBQOSA-N 1 2 316.445 2.573 20 30 DFEDLO CCC(C#N)(CC)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000599152003 398929816 /nfs/dbraw/zinc/92/98/16/398929816.db2.gz CFTOGOAKIAEGTP-UHFFFAOYSA-N 1 2 315.417 2.787 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)oc1C ZINC000599286427 398947934 /nfs/dbraw/zinc/94/79/34/398947934.db2.gz CSYORPNVRQZGRK-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511780 398953756 /nfs/dbraw/zinc/95/37/56/398953756.db2.gz QOTJGHXHOPMJRD-XCDZQEORSA-N 1 2 323.440 2.673 20 30 DFEDLO N#C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511780 398953758 /nfs/dbraw/zinc/95/37/58/398953758.db2.gz QOTJGHXHOPMJRD-XCDZQEORSA-N 1 2 323.440 2.673 20 30 DFEDLO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511781 398954092 /nfs/dbraw/zinc/95/40/92/398954092.db2.gz QOTJGHXHOPMJRD-ZSXDVEMLSA-N 1 2 323.440 2.673 20 30 DFEDLO N#C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511781 398954097 /nfs/dbraw/zinc/95/40/97/398954097.db2.gz QOTJGHXHOPMJRD-ZSXDVEMLSA-N 1 2 323.440 2.673 20 30 DFEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000595521199 398956028 /nfs/dbraw/zinc/95/60/28/398956028.db2.gz XTZQTZNHLWXYRL-UHFFFAOYSA-N 1 2 300.337 2.526 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000595532251 398957668 /nfs/dbraw/zinc/95/76/68/398957668.db2.gz PXJACJCYMMVFOK-KSSFIOAISA-N 1 2 323.400 2.878 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000599414632 398975589 /nfs/dbraw/zinc/97/55/89/398975589.db2.gz FOCBYRRWKDBBJU-BPNCWPANSA-N 1 2 321.783 2.866 20 30 DFEDLO COCc1nc(CNc2[nH+]cccc2OCCCC#N)cs1 ZINC000162236780 398981931 /nfs/dbraw/zinc/98/19/31/398981931.db2.gz JHJRTDZOYNXMBL-UHFFFAOYSA-N 1 2 318.402 2.979 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CCCO1 ZINC000281510228 216350910 /nfs/dbraw/zinc/35/09/10/216350910.db2.gz UYSNCNMZTYOUQT-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CCCO1 ZINC000281510228 216350912 /nfs/dbraw/zinc/35/09/12/216350912.db2.gz UYSNCNMZTYOUQT-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO COCCC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000599506320 398997390 /nfs/dbraw/zinc/99/73/90/398997390.db2.gz IEMDWGUDULTTOQ-KRWDZBQOSA-N 1 2 316.401 2.521 20 30 DFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609405 398997413 /nfs/dbraw/zinc/99/74/13/398997413.db2.gz JKFKEAFDVDGMLG-ZIAGYGMSSA-N 1 2 301.390 2.648 20 30 DFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609405 398997420 /nfs/dbraw/zinc/99/74/20/398997420.db2.gz JKFKEAFDVDGMLG-ZIAGYGMSSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611880 398999730 /nfs/dbraw/zinc/99/97/30/398999730.db2.gz OIYNVLKMHGCEGA-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611880 398999733 /nfs/dbraw/zinc/99/97/33/398999733.db2.gz OIYNVLKMHGCEGA-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611574 398999838 /nfs/dbraw/zinc/99/98/38/398999838.db2.gz LIYBYUFQPKCLLO-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611574 398999844 /nfs/dbraw/zinc/99/98/44/398999844.db2.gz LIYBYUFQPKCLLO-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@]1(C2CC2)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000595617240 399002820 /nfs/dbraw/zinc/00/28/20/399002820.db2.gz HHNSKOAWCWVDAJ-GOSISDBHSA-N 1 2 324.384 2.609 20 30 DFEDLO C[C@]1(C2CC2)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000595617240 399002828 /nfs/dbraw/zinc/00/28/28/399002828.db2.gz HHNSKOAWCWVDAJ-GOSISDBHSA-N 1 2 324.384 2.609 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC(F)(F)CC1 ZINC000599552146 399012248 /nfs/dbraw/zinc/01/22/48/399012248.db2.gz GIGNGIGXMQBUSS-AWEZNQCLSA-N 1 2 308.328 2.894 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC(F)(F)CC1 ZINC000599552146 399012249 /nfs/dbraw/zinc/01/22/49/399012249.db2.gz GIGNGIGXMQBUSS-AWEZNQCLSA-N 1 2 308.328 2.894 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1(C#N)CCCCC1 ZINC000595643502 399015791 /nfs/dbraw/zinc/01/57/91/399015791.db2.gz OMHXPHBOSXJWOP-ZDUSSCGKSA-N 1 2 303.410 2.737 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)NCC2(C#N)CCCCC2)c2[nH+]ccn21 ZINC000595645162 399017076 /nfs/dbraw/zinc/01/70/76/399017076.db2.gz VYKOUFTXURUWLN-CHWSQXEVSA-N 1 2 301.394 2.662 20 30 DFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cscn1 ZINC000595668744 399026743 /nfs/dbraw/zinc/02/67/43/399026743.db2.gz PNSQRNOALHWXEL-ZDUSSCGKSA-N 1 2 314.414 2.741 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)cc1F ZINC000170931592 399027358 /nfs/dbraw/zinc/02/73/58/399027358.db2.gz QHOGNNOHDOAIJL-UHFFFAOYSA-N 1 2 322.343 2.672 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cscn2)c(C#N)c1C ZINC000595669770 399028227 /nfs/dbraw/zinc/02/82/27/399028227.db2.gz ZXTQRSNALKWWDE-VIFPVBQESA-N 1 2 320.443 2.982 20 30 DFEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000079255838 399028237 /nfs/dbraw/zinc/02/82/37/399028237.db2.gz ICJPEHDBWRLVFI-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1C#N ZINC000599624733 399031929 /nfs/dbraw/zinc/03/19/29/399031929.db2.gz XDVSPYNNLJMKOX-NSHDSACASA-N 1 2 308.328 2.964 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC(F)(F)C[C@@H]2C)c1C#N ZINC000599624733 399031933 /nfs/dbraw/zinc/03/19/33/399031933.db2.gz XDVSPYNNLJMKOX-NSHDSACASA-N 1 2 308.328 2.964 20 30 DFEDLO CCN(CCOC)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)n1 ZINC000595689263 399035577 /nfs/dbraw/zinc/03/55/77/399035577.db2.gz KZBIPFJEAQUIQU-WBVHZDCISA-N 1 2 316.449 2.726 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1nnnn1C1CCCCC1 ZINC000595694521 399037363 /nfs/dbraw/zinc/03/73/63/399037363.db2.gz OCTNGGBXTUDFOQ-GUTXKFCHSA-N 1 2 302.426 2.911 20 30 DFEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000091930779 193128171 /nfs/dbraw/zinc/12/81/71/193128171.db2.gz UMKJLXJCGQWCDG-UHFFFAOYSA-N 1 2 313.792 2.830 20 30 DFEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000091930779 193128173 /nfs/dbraw/zinc/12/81/73/193128173.db2.gz UMKJLXJCGQWCDG-UHFFFAOYSA-N 1 2 313.792 2.830 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000595694409 399038380 /nfs/dbraw/zinc/03/83/80/399038380.db2.gz XYDKYIDHUPCTTA-GXTWGEPZSA-N 1 2 321.446 2.809 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000595695155 399039679 /nfs/dbraw/zinc/03/96/79/399039679.db2.gz SXTLFXNXPATICA-CWRNSKLLSA-N 1 2 315.392 2.993 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000595699835 399042387 /nfs/dbraw/zinc/04/23/87/399042387.db2.gz AWGHYUVALJQGSX-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000595699835 399042389 /nfs/dbraw/zinc/04/23/89/399042389.db2.gz AWGHYUVALJQGSX-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000595698899 399042910 /nfs/dbraw/zinc/04/29/10/399042910.db2.gz LAVOSQRWWLFKFI-XJKSGUPXSA-N 1 2 301.390 2.696 20 30 DFEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000599647755 399043241 /nfs/dbraw/zinc/04/32/41/399043241.db2.gz CAMXWHNJZYYJTG-UHFFFAOYSA-N 1 2 304.390 2.647 20 30 DFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595701931 399044482 /nfs/dbraw/zinc/04/44/82/399044482.db2.gz UWJLPMVEEARGQR-DOMZBBRYSA-N 1 2 316.361 2.514 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701818 399044497 /nfs/dbraw/zinc/04/44/97/399044497.db2.gz GBPYXAPCLZNYHB-CJNGLKHVSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701818 399044501 /nfs/dbraw/zinc/04/45/01/399044501.db2.gz GBPYXAPCLZNYHB-CJNGLKHVSA-N 1 2 303.381 2.581 20 30 DFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595701932 399044685 /nfs/dbraw/zinc/04/46/85/399044685.db2.gz UWJLPMVEEARGQR-IUODEOHRSA-N 1 2 316.361 2.514 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702739 399045882 /nfs/dbraw/zinc/04/58/82/399045882.db2.gz JNIGBAJOLFRVBF-DOMZBBRYSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702739 399045885 /nfs/dbraw/zinc/04/58/85/399045885.db2.gz JNIGBAJOLFRVBF-DOMZBBRYSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000595702515 399046067 /nfs/dbraw/zinc/04/60/67/399046067.db2.gz KQPPKDWWSCUVDZ-GVXVVHGQSA-N 1 2 306.797 2.734 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000595705362 399047203 /nfs/dbraw/zinc/04/72/03/399047203.db2.gz UWRWFKNCIOFWQR-BXUZGUMPSA-N 1 2 316.792 2.520 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000595705365 399047265 /nfs/dbraw/zinc/04/72/65/399047265.db2.gz UWRWFKNCIOFWQR-SMDDNHRTSA-N 1 2 316.792 2.520 20 30 DFEDLO C[C@H](C#N)[N@@H+](CC1(CN([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710048 399049348 /nfs/dbraw/zinc/04/93/48/399049348.db2.gz MRRQUBXCYOENBR-GASCZTMLSA-N 1 2 300.450 2.910 20 30 DFEDLO C[C@H](C#N)[N@H+](CC1(CN([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710048 399049354 /nfs/dbraw/zinc/04/93/54/399049354.db2.gz MRRQUBXCYOENBR-GASCZTMLSA-N 1 2 300.450 2.910 20 30 DFEDLO C[C@H](C#N)N(CC1(C[N@H+]([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710048 399049362 /nfs/dbraw/zinc/04/93/62/399049362.db2.gz MRRQUBXCYOENBR-GASCZTMLSA-N 1 2 300.450 2.910 20 30 DFEDLO C[C@H](C#N)N(CC1(C[N@@H+]([C@@H](C)C#N)C2CC2)CCC1)C1CC1 ZINC000595710048 399049368 /nfs/dbraw/zinc/04/93/68/399049368.db2.gz MRRQUBXCYOENBR-GASCZTMLSA-N 1 2 300.450 2.910 20 30 DFEDLO C=CCC1(NC(=O)Cn2c(C)[nH+]c3ccccc32)CCOCC1 ZINC000618246810 399050631 /nfs/dbraw/zinc/05/06/31/399050631.db2.gz ZXDCTQKRWDUURG-UHFFFAOYSA-N 1 2 313.401 2.586 20 30 DFEDLO CN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686590 399063004 /nfs/dbraw/zinc/06/30/04/399063004.db2.gz UAKDXDALXZHGFO-UHFFFAOYSA-N 1 2 319.408 2.774 20 30 DFEDLO CN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686590 399063009 /nfs/dbraw/zinc/06/30/09/399063009.db2.gz UAKDXDALXZHGFO-UHFFFAOYSA-N 1 2 319.408 2.774 20 30 DFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccccc1C#N ZINC000057845052 399066547 /nfs/dbraw/zinc/06/65/47/399066547.db2.gz WSASLMIDXXTLQE-UHFFFAOYSA-N 1 2 308.307 2.949 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755370 399070860 /nfs/dbraw/zinc/07/08/60/399070860.db2.gz MBHKXQBHODMNTB-CZUORRHYSA-N 1 2 304.365 2.844 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755370 399070863 /nfs/dbraw/zinc/07/08/63/399070863.db2.gz MBHKXQBHODMNTB-CZUORRHYSA-N 1 2 304.365 2.844 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762171 399073322 /nfs/dbraw/zinc/07/33/22/399073322.db2.gz PIBKTGZMKFJONZ-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762171 399073331 /nfs/dbraw/zinc/07/33/31/399073331.db2.gz PIBKTGZMKFJONZ-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305119760 284035840 /nfs/dbraw/zinc/03/58/40/284035840.db2.gz GRYHUQSBJFYABC-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)o1 ZINC000595795014 399088033 /nfs/dbraw/zinc/08/80/33/399088033.db2.gz CSVSNVGUUMEVQN-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)C[C@@H](C)O2)o1 ZINC000595795014 399088037 /nfs/dbraw/zinc/08/80/37/399088037.db2.gz CSVSNVGUUMEVQN-XHBSWPGZSA-N 1 2 312.373 2.773 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](OC)c2ccccc2)c1 ZINC000284169997 335010325 /nfs/dbraw/zinc/01/03/25/335010325.db2.gz XRPQOSRUINVBOK-IBGZPJMESA-N 1 2 322.408 2.926 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](OC)c2ccccc2)c1 ZINC000284169997 335010327 /nfs/dbraw/zinc/01/03/27/335010327.db2.gz XRPQOSRUINVBOK-IBGZPJMESA-N 1 2 322.408 2.926 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835311 399105600 /nfs/dbraw/zinc/10/56/00/399105600.db2.gz QHSNSQHSLANGLM-WBVHZDCISA-N 1 2 301.390 2.648 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835311 399105602 /nfs/dbraw/zinc/10/56/02/399105602.db2.gz QHSNSQHSLANGLM-WBVHZDCISA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835382 399105837 /nfs/dbraw/zinc/10/58/37/399105837.db2.gz QVZJPZNOZNYQRL-SUMWQHHRSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835382 399105839 /nfs/dbraw/zinc/10/58/39/399105839.db2.gz QVZJPZNOZNYQRL-SUMWQHHRSA-N 1 2 303.381 2.581 20 30 DFEDLO COC1(CNc2[nH+]cnc3c2cnn3CCC#N)CCCCC1 ZINC000613896189 399110460 /nfs/dbraw/zinc/11/04/60/399110460.db2.gz SWGNHLZKKWUNFO-UHFFFAOYSA-N 1 2 314.393 2.501 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](COC)C2)cc1Cl ZINC000093528273 193263839 /nfs/dbraw/zinc/26/38/39/193263839.db2.gz NNZFXFOCTBKFMV-CQSZACIVSA-N 1 2 311.809 2.752 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](COC)C2)cc1Cl ZINC000093528273 193263841 /nfs/dbraw/zinc/26/38/41/193263841.db2.gz NNZFXFOCTBKFMV-CQSZACIVSA-N 1 2 311.809 2.752 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccsc4)C3)n2c1 ZINC000093768311 193303941 /nfs/dbraw/zinc/30/39/41/193303941.db2.gz IIEHHYJWBUWJMH-INIZCTEOSA-N 1 2 324.409 2.841 20 30 DFEDLO Cc1ccc([C@@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)o1 ZINC000093864779 193320788 /nfs/dbraw/zinc/32/07/88/193320788.db2.gz XNDYBXPDHHKWQR-KRWDZBQOSA-N 1 2 322.368 2.681 20 30 DFEDLO CC(C)(CCC#N)CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000179451156 399129955 /nfs/dbraw/zinc/12/99/55/399129955.db2.gz AEXKBPFKMFCXPA-UHFFFAOYSA-N 1 2 302.422 2.656 20 30 DFEDLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000060485060 399132871 /nfs/dbraw/zinc/13/28/71/399132871.db2.gz MRFRCQMYDZNAFV-GFCCVEGCSA-N 1 2 319.405 2.596 20 30 DFEDLO C=CCN(CC=C)C(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000606983306 399133169 /nfs/dbraw/zinc/13/31/69/399133169.db2.gz ZUQFKYWQPLUHEN-UHFFFAOYSA-N 1 2 312.417 2.982 20 30 DFEDLO C[C@]1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCS1 ZINC000600106057 399135775 /nfs/dbraw/zinc/13/57/75/399135775.db2.gz HMOICOBDUYXYSP-ZWKOTPCHSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@]1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCS1 ZINC000600106057 399135777 /nfs/dbraw/zinc/13/57/77/399135777.db2.gz HMOICOBDUYXYSP-ZWKOTPCHSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)F)O1 ZINC000595916825 399134933 /nfs/dbraw/zinc/13/49/33/399134933.db2.gz LTVRMKVAWNFOIE-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@](C)(C(F)F)O1 ZINC000595916825 399134935 /nfs/dbraw/zinc/13/49/35/399134935.db2.gz LTVRMKVAWNFOIE-BLLLJJGKSA-N 1 2 310.344 2.682 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920967 399136593 /nfs/dbraw/zinc/13/65/93/399136593.db2.gz VQNSDRXVPKYFPQ-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920967 399136600 /nfs/dbraw/zinc/13/66/00/399136600.db2.gz VQNSDRXVPKYFPQ-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2nc(C#N)c(Cl)s2)CC1(C)C ZINC000596002864 399146192 /nfs/dbraw/zinc/14/61/92/399146192.db2.gz KRQXUHDNNQDJDF-SECBINFHSA-N 1 2 307.810 2.989 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264649971 204053805 /nfs/dbraw/zinc/05/38/05/204053805.db2.gz OSRFWMDGJBLRPR-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264649971 204053811 /nfs/dbraw/zinc/05/38/11/204053811.db2.gz OSRFWMDGJBLRPR-CHWSQXEVSA-N 1 2 302.271 2.585 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167612 399167990 /nfs/dbraw/zinc/16/79/90/399167990.db2.gz YZEDPYAADJXGPY-CQSZACIVSA-N 1 2 322.474 2.743 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167612 399167991 /nfs/dbraw/zinc/16/79/91/399167991.db2.gz YZEDPYAADJXGPY-CQSZACIVSA-N 1 2 322.474 2.743 20 30 DFEDLO C=C(C)[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000274883698 212008830 /nfs/dbraw/zinc/00/88/30/212008830.db2.gz ZXGRFISFXPHTMH-OAHLLOKOSA-N 1 2 320.343 2.815 20 30 DFEDLO CCc1nc(C#N)cc(N2CCCC[C@H]2c2c[nH+]cn2CC)n1 ZINC000596105215 399175196 /nfs/dbraw/zinc/17/51/96/399175196.db2.gz HDFUOEJKIHAGLE-AWEZNQCLSA-N 1 2 310.405 2.859 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614406864 399228098 /nfs/dbraw/zinc/22/80/98/399228098.db2.gz CZMQLZHVXBOCGI-SFHVURJKSA-N 1 2 324.428 2.791 20 30 DFEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614406864 399228102 /nfs/dbraw/zinc/22/81/02/399228102.db2.gz CZMQLZHVXBOCGI-SFHVURJKSA-N 1 2 324.428 2.791 20 30 DFEDLO C[C@@H]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000601130477 399235814 /nfs/dbraw/zinc/23/58/14/399235814.db2.gz VRKZHFMSFASPBO-IUODEOHRSA-N 1 2 308.389 2.510 20 30 DFEDLO C[C@H]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000601130480 399236142 /nfs/dbraw/zinc/23/61/42/399236142.db2.gz VRKZHFMSFASPBO-SWLSCSKDSA-N 1 2 308.389 2.510 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285471322 335026520 /nfs/dbraw/zinc/02/65/20/335026520.db2.gz BDVGLDWGBANGJA-NEPJUHHUSA-N 1 2 311.376 2.824 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000614587610 399249684 /nfs/dbraw/zinc/24/96/84/399249684.db2.gz DSTIIEDYBWBTLX-UHFFFAOYSA-N 1 2 324.428 2.788 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000614587610 399249686 /nfs/dbraw/zinc/24/96/86/399249686.db2.gz DSTIIEDYBWBTLX-UHFFFAOYSA-N 1 2 324.428 2.788 20 30 DFEDLO COC(=O)[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000267708212 206233182 /nfs/dbraw/zinc/23/31/82/206233182.db2.gz RMVQRHJPZZMAKU-OALUTQOASA-N 1 2 320.392 2.919 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000286276497 335031135 /nfs/dbraw/zinc/03/11/35/335031135.db2.gz HTCFTSUELXYVPH-INIZCTEOSA-N 1 2 306.413 2.511 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000286276497 335031136 /nfs/dbraw/zinc/03/11/36/335031136.db2.gz HTCFTSUELXYVPH-INIZCTEOSA-N 1 2 306.413 2.511 20 30 DFEDLO COc1cc(Cl)ccc1[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601316547 399276403 /nfs/dbraw/zinc/27/64/03/399276403.db2.gz MFCDNXHQXVSRKS-ZDUSSCGKSA-N 1 2 307.825 2.941 20 30 DFEDLO Cc1noc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000609195303 399308659 /nfs/dbraw/zinc/30/86/59/399308659.db2.gz PZVOVIZPPKWMBG-GFCCVEGCSA-N 1 2 312.373 2.854 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000609537849 399322179 /nfs/dbraw/zinc/32/21/79/399322179.db2.gz GHROCVZYOKDQSC-OAHLLOKOSA-N 1 2 323.387 2.954 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671985 399329574 /nfs/dbraw/zinc/32/95/74/399329574.db2.gz LAQHXNZXNATZME-FZKQIMNGSA-N 1 2 321.380 2.540 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671985 399329576 /nfs/dbraw/zinc/32/95/76/399329576.db2.gz LAQHXNZXNATZME-FZKQIMNGSA-N 1 2 321.380 2.540 20 30 DFEDLO CN(C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)C1(C#N)CCCCC1 ZINC000609671859 399329767 /nfs/dbraw/zinc/32/97/67/399329767.db2.gz MBAHZEGUUDPERZ-UHFFFAOYSA-N 1 2 321.465 2.561 20 30 DFEDLO CN(C(=O)C[N@H+]1CC(C)(C)OCC1(C)C)C1(C#N)CCCCC1 ZINC000609671859 399329769 /nfs/dbraw/zinc/32/97/69/399329769.db2.gz MBAHZEGUUDPERZ-UHFFFAOYSA-N 1 2 321.465 2.561 20 30 DFEDLO C#CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CC1 ZINC000274119364 211370929 /nfs/dbraw/zinc/37/09/29/211370929.db2.gz GQELJGBPYFWUHX-UHFFFAOYSA-N 1 2 307.275 2.752 20 30 DFEDLO C#CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CC1 ZINC000274119364 211370932 /nfs/dbraw/zinc/37/09/32/211370932.db2.gz GQELJGBPYFWUHX-UHFFFAOYSA-N 1 2 307.275 2.752 20 30 DFEDLO CC[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1nccs1 ZINC000609964742 399337215 /nfs/dbraw/zinc/33/72/15/399337215.db2.gz ALKWRDABBCBHSY-LLVKDONJSA-N 1 2 313.390 2.760 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004485 399338399 /nfs/dbraw/zinc/33/83/99/399338399.db2.gz MEXYFZWAGIKKDG-UGSOOPFHSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004485 399338401 /nfs/dbraw/zinc/33/84/01/399338401.db2.gz MEXYFZWAGIKKDG-UGSOOPFHSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004005 399338879 /nfs/dbraw/zinc/33/88/79/399338879.db2.gz YAYKGBWFDJJAKJ-SCLBCKFNSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610004005 399338882 /nfs/dbraw/zinc/33/88/82/399338882.db2.gz YAYKGBWFDJJAKJ-SCLBCKFNSA-N 1 2 317.408 2.799 20 30 DFEDLO CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000601817687 399342498 /nfs/dbraw/zinc/34/24/98/399342498.db2.gz JYAMQCUFNJPZGE-WMZOPIPTSA-N 1 2 322.412 2.625 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1OC ZINC000623237124 399344531 /nfs/dbraw/zinc/34/45/31/399344531.db2.gz QPGLFQGBRYVMSC-UHFFFAOYSA-N 1 2 313.401 2.932 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1OC ZINC000623237124 399344532 /nfs/dbraw/zinc/34/45/32/399344532.db2.gz QPGLFQGBRYVMSC-UHFFFAOYSA-N 1 2 313.401 2.932 20 30 DFEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714465 194029425 /nfs/dbraw/zinc/02/94/25/194029425.db2.gz IHHBSDJHZXTXCI-UHFFFAOYSA-N 1 2 316.401 2.743 20 30 DFEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCn2cc[nH+]c2C1 ZINC000610277544 399352917 /nfs/dbraw/zinc/35/29/17/399352917.db2.gz CRGBYEKQKGDUBI-UHFFFAOYSA-N 1 2 311.295 2.601 20 30 DFEDLO N#CC1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000619535222 399358758 /nfs/dbraw/zinc/35/87/58/399358758.db2.gz SHBYHMKQALMRLZ-UHFFFAOYSA-N 1 2 300.793 2.978 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610514542 399376178 /nfs/dbraw/zinc/37/61/78/399376178.db2.gz PRRJRDMDIZNBLN-CQSZACIVSA-N 1 2 305.809 2.513 20 30 DFEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)OC ZINC000619702032 399380138 /nfs/dbraw/zinc/38/01/38/399380138.db2.gz DGYGEZJQSVXVTO-IKGGRYGDSA-N 1 2 303.402 2.780 20 30 DFEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000106529026 194224906 /nfs/dbraw/zinc/22/49/06/194224906.db2.gz JTEHCMSDFZYLDR-OAHLLOKOSA-N 1 2 309.373 2.718 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000619717069 399381522 /nfs/dbraw/zinc/38/15/22/399381522.db2.gz RAOMGYHDCUAEDP-BBWFWOEESA-N 1 2 303.402 2.814 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000619717069 399381524 /nfs/dbraw/zinc/38/15/24/399381524.db2.gz RAOMGYHDCUAEDP-BBWFWOEESA-N 1 2 303.402 2.814 20 30 DFEDLO Cc1csc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778524 399382001 /nfs/dbraw/zinc/38/20/01/399382001.db2.gz MXHDCAZJJXRMNN-QWHCGFSZSA-N 1 2 318.446 2.539 20 30 DFEDLO Cc1csc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778524 399382003 /nfs/dbraw/zinc/38/20/03/399382003.db2.gz MXHDCAZJJXRMNN-QWHCGFSZSA-N 1 2 318.446 2.539 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000619717192 399381438 /nfs/dbraw/zinc/38/14/38/399381438.db2.gz IKGGUQPOKNAOTB-QGZVFWFLSA-N 1 2 314.385 2.934 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000619717192 399381440 /nfs/dbraw/zinc/38/14/40/399381440.db2.gz IKGGUQPOKNAOTB-QGZVFWFLSA-N 1 2 314.385 2.934 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000619720540 399382778 /nfs/dbraw/zinc/38/27/78/399382778.db2.gz PIYLLLIUZUYREF-QGZVFWFLSA-N 1 2 303.402 2.677 20 30 DFEDLO C=C(C)[C@H](Cc1nc(Cc2cn3ccccc3[nH+]2)no1)OCC ZINC000273756460 211031568 /nfs/dbraw/zinc/03/15/68/211031568.db2.gz QKLSHSIRHXWQSO-AWEZNQCLSA-N 1 2 312.373 2.832 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000615787952 399382659 /nfs/dbraw/zinc/38/26/59/399382659.db2.gz VJFGCTYCIPTYBI-IUODEOHRSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000615787952 399382663 /nfs/dbraw/zinc/38/26/63/399382663.db2.gz VJFGCTYCIPTYBI-IUODEOHRSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000615787958 399382886 /nfs/dbraw/zinc/38/28/86/399382886.db2.gz VJFGCTYCIPTYBI-WFASDCNBSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000615787958 399382888 /nfs/dbraw/zinc/38/28/88/399382888.db2.gz VJFGCTYCIPTYBI-WFASDCNBSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000615787950 399382818 /nfs/dbraw/zinc/38/28/18/399382818.db2.gz VJFGCTYCIPTYBI-DOMZBBRYSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000615787950 399382820 /nfs/dbraw/zinc/38/28/20/399382820.db2.gz VJFGCTYCIPTYBI-DOMZBBRYSA-N 1 2 301.365 2.523 20 30 DFEDLO CCc1nn(C)c(CC)c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459605667 269681201 /nfs/dbraw/zinc/68/12/01/269681201.db2.gz DIJQBABWCBRQFL-UHFFFAOYSA-N 1 2 324.428 2.680 20 30 DFEDLO CCN(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000273565626 210875866 /nfs/dbraw/zinc/87/58/66/210875866.db2.gz ZISZSMMHCIUCEH-OAHLLOKOSA-N 1 2 314.433 2.699 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602085385 399393111 /nfs/dbraw/zinc/39/31/11/399393111.db2.gz LTPWOXIUUIMRFO-HNNXBMFYSA-N 1 2 312.373 2.989 20 30 DFEDLO CCc1c[nH]c(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)[nH+]1 ZINC000602096421 399394109 /nfs/dbraw/zinc/39/41/09/399394109.db2.gz JLPYVBXNRANSHH-CYBMUJFWSA-N 1 2 302.765 2.549 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000619844285 399395584 /nfs/dbraw/zinc/39/55/84/399395584.db2.gz OCDUHNKQBSRKGP-UHFFFAOYSA-N 1 2 304.419 2.511 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000619844285 399395587 /nfs/dbraw/zinc/39/55/87/399395587.db2.gz OCDUHNKQBSRKGP-UHFFFAOYSA-N 1 2 304.419 2.511 20 30 DFEDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610859599 399413140 /nfs/dbraw/zinc/41/31/40/399413140.db2.gz AQNHUWOGSOSGLU-UHFFFAOYSA-N 1 2 323.824 2.897 20 30 DFEDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610859599 399413142 /nfs/dbraw/zinc/41/31/42/399413142.db2.gz AQNHUWOGSOSGLU-UHFFFAOYSA-N 1 2 323.824 2.897 20 30 DFEDLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000269001547 207157860 /nfs/dbraw/zinc/15/78/60/207157860.db2.gz ZUZMCPWQLKRFSM-AWEZNQCLSA-N 1 2 311.389 2.547 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 ZINC000611037838 399430340 /nfs/dbraw/zinc/43/03/40/399430340.db2.gz QPFBUZIMJBKQLJ-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 ZINC000611037838 399430344 /nfs/dbraw/zinc/43/03/44/399430344.db2.gz QPFBUZIMJBKQLJ-YOEHRIQHSA-N 1 2 315.323 2.539 20 30 DFEDLO COc1cncc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000602436886 399444127 /nfs/dbraw/zinc/44/41/27/399444127.db2.gz ABESOCYCTYCBJK-UHFFFAOYSA-N 1 2 322.412 2.593 20 30 DFEDLO C=CCCOCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000620170586 399451622 /nfs/dbraw/zinc/45/16/22/399451622.db2.gz WODHKDHOLOPNJV-UHFFFAOYSA-N 1 2 323.462 2.906 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1N(C)C)Cc1cccc(C#N)c1 ZINC000611265019 399453296 /nfs/dbraw/zinc/45/32/96/399453296.db2.gz KSBNXCJTAQUDMN-UHFFFAOYSA-N 1 2 323.444 2.854 20 30 DFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1N(C)C)Cc1cccc(C#N)c1 ZINC000611265019 399453299 /nfs/dbraw/zinc/45/32/99/399453299.db2.gz KSBNXCJTAQUDMN-UHFFFAOYSA-N 1 2 323.444 2.854 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCc1cccs1 ZINC000611281654 399457616 /nfs/dbraw/zinc/45/76/16/399457616.db2.gz XEYSCEGSSSGCBN-UHFFFAOYSA-N 1 2 312.402 2.846 20 30 DFEDLO N#Cc1cccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c1 ZINC000269142737 207272025 /nfs/dbraw/zinc/27/20/25/207272025.db2.gz MZRSKFWTSHXYPS-UHFFFAOYSA-N 1 2 322.412 2.774 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000611386807 399468445 /nfs/dbraw/zinc/46/84/45/399468445.db2.gz AEIBYVQLVQNSBF-SNVBAGLBSA-N 1 2 300.387 2.824 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000186025091 291793508 /nfs/dbraw/zinc/79/35/08/291793508.db2.gz PSXQGPDTXGRIDV-UHFFFAOYSA-N 1 2 307.401 2.682 20 30 DFEDLO COc1cccc(OC)c1OC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000611429105 399475552 /nfs/dbraw/zinc/47/55/52/399475552.db2.gz FSIOCHGCZNCOGL-UHFFFAOYSA-N 1 2 316.401 2.851 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602607935 399489285 /nfs/dbraw/zinc/48/92/85/399489285.db2.gz NKURILZEZUHGAL-GOEBONIOSA-N 1 2 307.401 2.927 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611555254 399491525 /nfs/dbraw/zinc/49/15/25/399491525.db2.gz TWEDWEQYKXXTSG-BZPMIXESSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611555254 399491530 /nfs/dbraw/zinc/49/15/30/399491530.db2.gz TWEDWEQYKXXTSG-BZPMIXESSA-N 1 2 319.371 2.704 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)on1 ZINC000611553389 399491201 /nfs/dbraw/zinc/49/12/01/399491201.db2.gz YNSJASXPLRHSOB-QGZVFWFLSA-N 1 2 314.364 2.505 20 30 DFEDLO C=CCC[C@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)C(=O)OCC ZINC000602679384 399516740 /nfs/dbraw/zinc/51/67/40/399516740.db2.gz FHEKJTQIYFSWGG-CABCVRRESA-N 1 2 308.422 2.573 20 30 DFEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)OCC ZINC000270052780 208108707 /nfs/dbraw/zinc/10/87/07/208108707.db2.gz RPNSQDFBMXEYGG-CQSZACIVSA-N 1 2 300.362 2.577 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)OCC ZINC000270209934 208277957 /nfs/dbraw/zinc/27/79/57/208277957.db2.gz RUIFNSMGKUCIDO-OAGGEKHMSA-N 1 2 305.422 2.664 20 30 DFEDLO C#CCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270237613 208303009 /nfs/dbraw/zinc/30/30/09/208303009.db2.gz OSYFNJAVTUZDER-OAHLLOKOSA-N 1 2 310.401 2.542 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC ZINC000602732722 399547145 /nfs/dbraw/zinc/54/71/45/399547145.db2.gz CWZMMRIXPPENDS-ZFWWWQNUSA-N 1 2 321.417 2.732 20 30 DFEDLO COC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC(C)(C)O1 ZINC000625402582 399546593 /nfs/dbraw/zinc/54/65/93/399546593.db2.gz OKUDYZJYFAVIIS-HNNXBMFYSA-N 1 2 307.821 2.817 20 30 DFEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC(C)(C)O1 ZINC000625402582 399546598 /nfs/dbraw/zinc/54/65/98/399546598.db2.gz OKUDYZJYFAVIIS-HNNXBMFYSA-N 1 2 307.821 2.817 20 30 DFEDLO N#CCC1(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000602763236 399561449 /nfs/dbraw/zinc/56/14/49/399561449.db2.gz PDDGKUQFKCLJEH-UHFFFAOYSA-N 1 2 303.450 2.795 20 30 DFEDLO C=CC[NH+](CC=C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000158144070 197247479 /nfs/dbraw/zinc/24/74/79/197247479.db2.gz YJFVRSGKVRVSHM-UHFFFAOYSA-N 1 2 303.328 2.844 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612107672 399584491 /nfs/dbraw/zinc/58/44/91/399584491.db2.gz TUDXRXOJOIEQQT-MRXNPFEDSA-N 1 2 307.388 2.673 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163152 399595751 /nfs/dbraw/zinc/59/57/51/399595751.db2.gz OSJLUIICIAOZLD-IMPIEMTGSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163152 399595753 /nfs/dbraw/zinc/59/57/53/399595753.db2.gz OSJLUIICIAOZLD-IMPIEMTGSA-N 1 2 305.466 2.941 20 30 DFEDLO CCC[C@](C)([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC ZINC000156445453 197114841 /nfs/dbraw/zinc/11/48/41/197114841.db2.gz CAQPOFKZIGPNMX-KRWDZBQOSA-N 1 2 304.390 2.649 20 30 DFEDLO C[C@@H]1C[NH+](Cc2cccnc2C(F)(F)F)C[C@@H](C)N1CC#N ZINC000602849469 399600316 /nfs/dbraw/zinc/60/03/16/399600316.db2.gz LKKXTKHQRIGPCI-VXGBXAGGSA-N 1 2 312.339 2.519 20 30 DFEDLO Fc1ccc(C#CC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000156093407 197085812 /nfs/dbraw/zinc/08/58/12/197085812.db2.gz VLBJRVIEXIDICF-UHFFFAOYSA-N 1 2 314.326 2.747 20 30 DFEDLO Fc1ccc(C#CC[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000156093407 197085813 /nfs/dbraw/zinc/08/58/13/197085813.db2.gz VLBJRVIEXIDICF-UHFFFAOYSA-N 1 2 314.326 2.747 20 30 DFEDLO C[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@@H](C)N1CC#N ZINC000602851966 399601621 /nfs/dbraw/zinc/60/16/21/399601621.db2.gz ZCFOIHQESOOUPX-HUUCEWRRSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@H]1C[NH+](Cc2nsc3ccccc32)C[C@H](C)N1CC#N ZINC000602851466 399602474 /nfs/dbraw/zinc/60/24/74/399602474.db2.gz WMNVUNMYFYZSNT-STQMWFEESA-N 1 2 300.431 2.714 20 30 DFEDLO C[C@H]1C[NH+](Cc2cc(-c3ccccc3)on2)C[C@H](C)N1CC#N ZINC000602856624 399605180 /nfs/dbraw/zinc/60/51/80/399605180.db2.gz LRJVSOSLHPYAGK-GJZGRUSLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000602859795 399606790 /nfs/dbraw/zinc/60/67/90/399606790.db2.gz APRQMWORLOTMNA-MRXNPFEDSA-N 1 2 313.445 2.896 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000602861197 399606869 /nfs/dbraw/zinc/60/68/69/399606869.db2.gz FIMIZJAPTQXHNM-GUYCJALGSA-N 1 2 313.426 2.845 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602858552 399606881 /nfs/dbraw/zinc/60/68/81/399606881.db2.gz SQUMYOFJPGKXQT-STQMWFEESA-N 1 2 309.360 2.706 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000602861195 399606380 /nfs/dbraw/zinc/60/63/80/399606380.db2.gz FIMIZJAPTQXHNM-DYVFJYSZSA-N 1 2 313.426 2.845 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000602863725 399607930 /nfs/dbraw/zinc/60/79/30/399607930.db2.gz PKYXKVKZZFEDBT-AWEZNQCLSA-N 1 2 301.434 2.535 20 30 DFEDLO C[C@@H]1C[NH+](Cc2nc(C(C)(C)C)cs2)C[C@@H](C)N1CC#N ZINC000602867350 399608801 /nfs/dbraw/zinc/60/88/01/399608801.db2.gz YCCTVFXEWBMLJA-CHWSQXEVSA-N 1 2 306.479 2.859 20 30 DFEDLO CSC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000602922049 399627638 /nfs/dbraw/zinc/62/76/38/399627638.db2.gz OSAMLKYOIJMRBM-UHFFFAOYSA-N 1 2 307.419 2.534 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924791 399629243 /nfs/dbraw/zinc/62/92/43/399629243.db2.gz DGBINKSEQAQVAC-OCCSQVGLSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924791 399629246 /nfs/dbraw/zinc/62/92/46/399629246.db2.gz DGBINKSEQAQVAC-OCCSQVGLSA-N 1 2 301.390 2.613 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CCF)CC2)C1=O ZINC000602946489 399635016 /nfs/dbraw/zinc/63/50/16/399635016.db2.gz AJCKUULMTUBQAU-CQSZACIVSA-N 1 2 321.421 2.797 20 30 DFEDLO COC(=O)[C@H](Cc1cccc(OC)c1)[NH2+]CCCC(C)(C)C#N ZINC000602943561 399635384 /nfs/dbraw/zinc/63/53/84/399635384.db2.gz LONOLQYJCHJZGN-INIZCTEOSA-N 1 2 318.417 2.699 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCF)CC1 ZINC000602948941 399636668 /nfs/dbraw/zinc/63/66/68/399636668.db2.gz XEKDLMIVBUPBHD-MRXNPFEDSA-N 1 2 304.365 2.844 20 30 DFEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CC(C)(C#N)C3)ccc21 ZINC000603023627 399660777 /nfs/dbraw/zinc/66/07/77/399660777.db2.gz YHPFRYVISDVDRW-UHFFFAOYSA-N 1 2 309.373 2.678 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1C1CC1 ZINC000602972285 399644021 /nfs/dbraw/zinc/64/40/21/399644021.db2.gz ITCSWYKSMKHPGB-LSDHHAIUSA-N 1 2 321.218 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1C1CC1 ZINC000602972285 399644025 /nfs/dbraw/zinc/64/40/25/399644025.db2.gz ITCSWYKSMKHPGB-LSDHHAIUSA-N 1 2 321.218 2.666 20 30 DFEDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977382 399645786 /nfs/dbraw/zinc/64/57/86/399645786.db2.gz AKVQYLLWKTZQJH-DZGCQCFKSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977382 399645791 /nfs/dbraw/zinc/64/57/91/399645791.db2.gz AKVQYLLWKTZQJH-DZGCQCFKSA-N 1 2 305.809 2.580 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977485 399647147 /nfs/dbraw/zinc/64/71/47/399647147.db2.gz BSHLMYOPHQJWFH-STQMWFEESA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977485 399647152 /nfs/dbraw/zinc/64/71/52/399647152.db2.gz BSHLMYOPHQJWFH-STQMWFEESA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)C2 ZINC000328616437 257264634 /nfs/dbraw/zinc/26/46/34/257264634.db2.gz BRUKSSXMNJSWHD-YNEHKIRRSA-N 1 2 303.406 2.532 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)CC2 ZINC000328616437 257264635 /nfs/dbraw/zinc/26/46/35/257264635.db2.gz BRUKSSXMNJSWHD-YNEHKIRRSA-N 1 2 303.406 2.532 20 30 DFEDLO N#Cc1cnn(-c2ccccc2)c1NCc1cn2c([nH+]1)CCCC2 ZINC000603286640 399732327 /nfs/dbraw/zinc/73/23/27/399732327.db2.gz LHQUBCFRULYYOT-UHFFFAOYSA-N 1 2 318.384 2.889 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000121554252 195306147 /nfs/dbraw/zinc/30/61/47/195306147.db2.gz XRNXXDRTHFPCHO-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C=CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@@H](C)COC ZINC000617582240 399747554 /nfs/dbraw/zinc/74/75/54/399747554.db2.gz JKFGDJATFZMVDS-LBPRGKRZSA-N 1 2 301.390 2.545 20 30 DFEDLO CN(c1cccc(C#N)c1)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000603406807 399768209 /nfs/dbraw/zinc/76/82/09/399768209.db2.gz VUAZPPOSLSXPLR-KRWDZBQOSA-N 1 2 319.412 2.941 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626152548 399776117 /nfs/dbraw/zinc/77/61/17/399776117.db2.gz VECGWXWNSZPDNI-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626152548 399776122 /nfs/dbraw/zinc/77/61/22/399776122.db2.gz VECGWXWNSZPDNI-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000198358404 542866393 /nfs/dbraw/zinc/86/63/93/542866393.db2.gz XOPXYYBPOMZEEF-AWEZNQCLSA-N 1 2 314.414 2.500 20 30 DFEDLO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000328854540 543098160 /nfs/dbraw/zinc/09/81/60/543098160.db2.gz XNFNQNNDMVVXJP-YYIAUSFCSA-N 1 2 323.481 2.570 20 30 DFEDLO COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328941554 543098504 /nfs/dbraw/zinc/09/85/04/543098504.db2.gz SYJHRCUCKIAUKI-CYBMUJFWSA-N 1 2 314.389 2.623 20 30 DFEDLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329139632 543100428 /nfs/dbraw/zinc/10/04/28/543100428.db2.gz IYFDUANHZGMPOI-ZIAGYGMSSA-N 1 2 318.373 2.647 20 30 DFEDLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329139632 543100431 /nfs/dbraw/zinc/10/04/31/543100431.db2.gz IYFDUANHZGMPOI-ZIAGYGMSSA-N 1 2 318.373 2.647 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2c1cccc2F ZINC000604558412 399856436 /nfs/dbraw/zinc/85/64/36/399856436.db2.gz CAZDONVKNBCCNW-HNNXBMFYSA-N 1 2 322.347 2.978 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCOc1ccccc1 ZINC000604558118 399856477 /nfs/dbraw/zinc/85/64/77/399856477.db2.gz HSOIUMTYGVBLFZ-UHFFFAOYSA-N 1 2 322.372 2.621 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000173725574 145352659 /nfs/dbraw/zinc/35/26/59/145352659.db2.gz NYLUXRVZTNMMJZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000173725574 145352662 /nfs/dbraw/zinc/35/26/62/145352662.db2.gz NYLUXRVZTNMMJZ-SWLSCSKDSA-N 1 2 312.373 2.608 20 30 DFEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000630937562 399950195 /nfs/dbraw/zinc/95/01/95/399950195.db2.gz DBONUFYGTVFDKG-UHFFFAOYSA-N 1 2 317.433 2.682 20 30 DFEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000630937562 399950198 /nfs/dbraw/zinc/95/01/98/399950198.db2.gz DBONUFYGTVFDKG-UHFFFAOYSA-N 1 2 317.433 2.682 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)nn1 ZINC000631248305 400012299 /nfs/dbraw/zinc/01/22/99/400012299.db2.gz JLWYPTKTTMGURT-LLVKDONJSA-N 1 2 313.361 2.552 20 30 DFEDLO C=CCOCCCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628772291 400055771 /nfs/dbraw/zinc/05/57/71/400055771.db2.gz HDNAQCJGQMNSID-INIZCTEOSA-N 1 2 317.364 2.737 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000354085365 146899624 /nfs/dbraw/zinc/89/96/24/146899624.db2.gz WGEJAWRYVPOZSL-UHFFFAOYSA-N 1 2 319.368 2.819 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491679414 543407715 /nfs/dbraw/zinc/40/77/15/543407715.db2.gz XJYYLTYSROUDMG-KRWDZBQOSA-N 1 2 322.412 2.716 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000355316134 147260714 /nfs/dbraw/zinc/26/07/14/147260714.db2.gz JGXUPPNJQZRGKI-CJNGLKHVSA-N 1 2 324.384 2.701 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000355452393 147321546 /nfs/dbraw/zinc/32/15/46/147321546.db2.gz ZPFMMTZQIZZPLQ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO CC(C)CCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000576747900 543454082 /nfs/dbraw/zinc/45/40/82/543454082.db2.gz XWGISDZKJLZFPG-SFHVURJKSA-N 1 2 303.450 2.893 20 30 DFEDLO CC(C)CCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000576747900 543454085 /nfs/dbraw/zinc/45/40/85/543454085.db2.gz XWGISDZKJLZFPG-SFHVURJKSA-N 1 2 303.450 2.893 20 30 DFEDLO Cn1c(C[NH2+]Cc2ccc(C#N)o2)nc2cccc(Cl)c21 ZINC000358961380 148495833 /nfs/dbraw/zinc/49/58/33/148495833.db2.gz FQGUIJNDUISOMO-UHFFFAOYSA-N 1 2 300.749 2.981 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cncc(F)c1 ZINC000361137858 149037338 /nfs/dbraw/zinc/03/73/38/149037338.db2.gz XIXWALCMCGJTIP-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000362899674 149392497 /nfs/dbraw/zinc/39/24/97/149392497.db2.gz BKWXSUYCXIFFRW-UHFFFAOYSA-N 1 2 316.773 2.851 20 30 DFEDLO N#Cc1ccc(NC(=O)C[NH+]2CC(Cc3cccc(F)c3)C2)cc1 ZINC000372835216 150191464 /nfs/dbraw/zinc/19/14/64/150191464.db2.gz FPBLMNRTAFYGBB-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO CCCCOC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374390407 150358653 /nfs/dbraw/zinc/35/86/53/150358653.db2.gz WEIWJNCCJVOCSA-QGZVFWFLSA-N 1 2 316.401 2.665 20 30 DFEDLO CCCCOC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374390407 150358655 /nfs/dbraw/zinc/35/86/55/150358655.db2.gz WEIWJNCCJVOCSA-QGZVFWFLSA-N 1 2 316.401 2.665 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000246367397 158088047 /nfs/dbraw/zinc/08/80/47/158088047.db2.gz HEOHEVPWJUVEMY-STQMWFEESA-N 1 2 321.471 2.552 20 30 DFEDLO CC[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000246367397 158088051 /nfs/dbraw/zinc/08/80/51/158088051.db2.gz HEOHEVPWJUVEMY-STQMWFEESA-N 1 2 321.471 2.552 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000355035417 158257106 /nfs/dbraw/zinc/25/71/06/158257106.db2.gz ZCRFWFQPMYJVII-UHFFFAOYSA-N 1 2 307.344 2.782 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000356754773 158312168 /nfs/dbraw/zinc/31/21/68/158312168.db2.gz NKSXWXPNOLSDCX-UHFFFAOYSA-N 1 2 316.364 2.889 20 30 DFEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000053079121 425886763 /nfs/dbraw/zinc/88/67/63/425886763.db2.gz XMGYFKHJYNGQEM-UHFFFAOYSA-N 1 2 304.415 2.954 20 30 DFEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000053079121 425886762 /nfs/dbraw/zinc/88/67/62/425886762.db2.gz XMGYFKHJYNGQEM-UHFFFAOYSA-N 1 2 304.415 2.954 20 30 DFEDLO C=CC[N@@H+](Cc1ncc(I)s1)C1CC1 ZINC000290238958 335070328 /nfs/dbraw/zinc/07/03/28/335070328.db2.gz GMNCXCCQIURRHV-UHFFFAOYSA-N 1 2 320.199 2.898 20 30 DFEDLO C=CC[N@H+](Cc1ncc(I)s1)C1CC1 ZINC000290238958 335070329 /nfs/dbraw/zinc/07/03/29/335070329.db2.gz GMNCXCCQIURRHV-UHFFFAOYSA-N 1 2 320.199 2.898 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)s1 ZINC000130469179 196084993 /nfs/dbraw/zinc/08/49/93/196084993.db2.gz SEXINBDPWUUVDQ-UHFFFAOYSA-N 1 2 302.399 2.623 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)s1 ZINC000130469179 196084995 /nfs/dbraw/zinc/08/49/95/196084995.db2.gz SEXINBDPWUUVDQ-UHFFFAOYSA-N 1 2 302.399 2.623 20 30 DFEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343315870 335071134 /nfs/dbraw/zinc/07/11/34/335071134.db2.gz RMFJWLZFXPRJNF-ZDUSSCGKSA-N 1 2 305.372 2.947 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000133170481 196318284 /nfs/dbraw/zinc/31/82/84/196318284.db2.gz DVVWCQIRZYRFKK-MRXNPFEDSA-N 1 2 322.412 2.695 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2cccc(C#N)c2)CC1(C)C ZINC000296166092 225612255 /nfs/dbraw/zinc/61/22/55/225612255.db2.gz BEGKSRNFQQNDKF-HNNXBMFYSA-N 1 2 323.400 2.584 20 30 DFEDLO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1C#N ZINC000290955947 222027977 /nfs/dbraw/zinc/02/79/77/222027977.db2.gz MSPKOWMZAXJOIY-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676113508 544357281 /nfs/dbraw/zinc/35/72/81/544357281.db2.gz KIUSBAKTXXXEHH-MRXNPFEDSA-N 1 2 317.433 2.784 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676113508 544357283 /nfs/dbraw/zinc/35/72/83/544357283.db2.gz KIUSBAKTXXXEHH-MRXNPFEDSA-N 1 2 317.433 2.784 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000677048343 544425774 /nfs/dbraw/zinc/42/57/74/544425774.db2.gz VZORIKPFCZYYPD-MRXNPFEDSA-N 1 2 314.429 2.563 20 30 DFEDLO C[C@H](c1nnc(SCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000058165324 425897734 /nfs/dbraw/zinc/89/77/34/425897734.db2.gz JIHDAQPUIOPDOV-SNVBAGLBSA-N 1 2 305.382 2.645 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C#N)CC2)c1C ZINC000057875194 425897125 /nfs/dbraw/zinc/89/71/25/425897125.db2.gz PMYLYJQGWZQHHG-UHFFFAOYSA-N 1 2 324.428 2.786 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880856 425897356 /nfs/dbraw/zinc/89/73/56/425897356.db2.gz ATVLYXREBGSPAX-CYBMUJFWSA-N 1 2 301.390 2.648 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000058453122 425898259 /nfs/dbraw/zinc/89/82/59/425898259.db2.gz BBEDPZHURXBFGP-UHFFFAOYSA-N 1 2 319.368 2.879 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000066566136 425905115 /nfs/dbraw/zinc/90/51/15/425905115.db2.gz JKXHEYNURPGQGT-UHFFFAOYSA-N 1 2 320.462 2.568 20 30 DFEDLO Cc1ncsc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000066566136 425905116 /nfs/dbraw/zinc/90/51/16/425905116.db2.gz JKXHEYNURPGQGT-UHFFFAOYSA-N 1 2 320.462 2.568 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000337524805 269888044 /nfs/dbraw/zinc/88/80/44/269888044.db2.gz FVAXQMXXRICIKE-OAHLLOKOSA-N 1 2 324.428 2.548 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000337524805 269888046 /nfs/dbraw/zinc/88/80/46/269888046.db2.gz FVAXQMXXRICIKE-OAHLLOKOSA-N 1 2 324.428 2.548 20 30 DFEDLO N#Cc1cccc(C2(C(=O)Nc3cccc4[nH+]ccn43)CC2)c1 ZINC000435353479 269971451 /nfs/dbraw/zinc/97/14/51/269971451.db2.gz HEKJXXLIXSUCFH-UHFFFAOYSA-N 1 2 302.337 2.876 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)NCc3cccc(C#N)c3)cn21 ZINC000069074316 425928061 /nfs/dbraw/zinc/92/80/61/425928061.db2.gz AODSPZGYBWTYMM-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000452448795 270001535 /nfs/dbraw/zinc/00/15/35/270001535.db2.gz YGGIDOPQACVQRP-HNNXBMFYSA-N 1 2 308.385 2.824 20 30 DFEDLO Cn1cnc2cc(C[NH+]3CC(Oc4ccc(C#N)cc4)C3)ccc21 ZINC000459619675 270001938 /nfs/dbraw/zinc/00/19/38/270001938.db2.gz UTYNCUUKWIPXEM-UHFFFAOYSA-N 1 2 318.380 2.708 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)c(C)c2)CC[S@@]1=O ZINC000488037399 270002156 /nfs/dbraw/zinc/00/21/56/270002156.db2.gz DSJCBEFBLRXBRV-OAQYLSRUSA-N 1 2 304.459 2.990 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(C)c2)CC[S@@]1=O ZINC000488037399 270002157 /nfs/dbraw/zinc/00/21/57/270002157.db2.gz DSJCBEFBLRXBRV-OAQYLSRUSA-N 1 2 304.459 2.990 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000490885850 270002477 /nfs/dbraw/zinc/00/24/77/270002477.db2.gz KEJGXYGEHFWGQQ-HJWRWDBZSA-N 1 2 316.364 2.578 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C#N)cn2)[nH+]1 ZINC000532645063 270002704 /nfs/dbraw/zinc/00/27/04/270002704.db2.gz WRPOGDQTQTZXJL-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000533484210 270002957 /nfs/dbraw/zinc/00/29/57/270002957.db2.gz PKBSKEJGMAAQEY-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000533484210 270002958 /nfs/dbraw/zinc/00/29/58/270002958.db2.gz PKBSKEJGMAAQEY-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO CCC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156274720 425932943 /nfs/dbraw/zinc/93/29/43/425932943.db2.gz IEWPLAPJJNLFCF-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO CCC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156274720 425932948 /nfs/dbraw/zinc/93/29/48/425932948.db2.gz IEWPLAPJJNLFCF-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)c1 ZINC000156660290 425935801 /nfs/dbraw/zinc/93/58/01/425935801.db2.gz WXJIMIFFQKGQIT-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)c1 ZINC000156660290 425935805 /nfs/dbraw/zinc/93/58/05/425935805.db2.gz WXJIMIFFQKGQIT-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000343203295 266336807 /nfs/dbraw/zinc/33/68/07/266336807.db2.gz CVRTXFIWEBNFAS-UHFFFAOYSA-N 1 2 306.325 2.857 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@H](CC)CN1C(C)=O ZINC000340902235 266380101 /nfs/dbraw/zinc/38/01/01/266380101.db2.gz KREOLQKRKBQQMQ-IAGOWNOFSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@H](CC)CN1C(C)=O ZINC000340902235 266380102 /nfs/dbraw/zinc/38/01/02/266380102.db2.gz KREOLQKRKBQQMQ-IAGOWNOFSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H](CC)O1 ZINC000398526816 266382274 /nfs/dbraw/zinc/38/22/74/266382274.db2.gz PNSHXOADDJHUIG-KBRIMQKVSA-N 1 2 315.417 2.775 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](COC)C(=O)OCC ZINC000489050713 267012430 /nfs/dbraw/zinc/01/24/30/267012430.db2.gz ZBUOQCDQDNSAEA-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](COC)C(=O)OCC ZINC000489050713 267012434 /nfs/dbraw/zinc/01/24/34/267012434.db2.gz ZBUOQCDQDNSAEA-QGZVFWFLSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227761 267030950 /nfs/dbraw/zinc/03/09/50/267030950.db2.gz SICPYMUUUDFMJQ-HIFRSBDPSA-N 1 2 314.433 2.783 20 30 DFEDLO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428426705 267055542 /nfs/dbraw/zinc/05/55/42/267055542.db2.gz YPQWXMWKFPQGBB-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448604237 267064131 /nfs/dbraw/zinc/06/41/31/267064131.db2.gz MBTYCWPPJIJNRI-UHFFFAOYSA-N 1 2 310.401 2.543 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448604237 267064133 /nfs/dbraw/zinc/06/41/33/267064133.db2.gz MBTYCWPPJIJNRI-UHFFFAOYSA-N 1 2 310.401 2.543 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000348283010 267102875 /nfs/dbraw/zinc/10/28/75/267102875.db2.gz OTDZIXBXPYVDKX-SCZZXKLOSA-N 1 2 317.336 2.831 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000348283010 267102879 /nfs/dbraw/zinc/10/28/79/267102879.db2.gz OTDZIXBXPYVDKX-SCZZXKLOSA-N 1 2 317.336 2.831 20 30 DFEDLO CCOC(=O)[C@]1(C(C)C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425264885 267134949 /nfs/dbraw/zinc/13/49/49/267134949.db2.gz YDCBQQUGWPRCBA-QGZVFWFLSA-N 1 2 301.390 2.677 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347340687 267135529 /nfs/dbraw/zinc/13/55/29/267135529.db2.gz FSRLZVYQMGOPGE-BMIGLBTASA-N 1 2 309.772 2.973 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347340687 267135530 /nfs/dbraw/zinc/13/55/30/267135530.db2.gz FSRLZVYQMGOPGE-BMIGLBTASA-N 1 2 309.772 2.973 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347340701 267136010 /nfs/dbraw/zinc/13/60/10/267136010.db2.gz FSRLZVYQMGOPGE-MEBBXXQBSA-N 1 2 309.772 2.973 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347340701 267136014 /nfs/dbraw/zinc/13/60/14/267136014.db2.gz FSRLZVYQMGOPGE-MEBBXXQBSA-N 1 2 309.772 2.973 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456975248 267183711 /nfs/dbraw/zinc/18/37/11/267183711.db2.gz YOMOVGJGNUQPKD-IRXDYDNUSA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456975248 267183714 /nfs/dbraw/zinc/18/37/14/267183714.db2.gz YOMOVGJGNUQPKD-IRXDYDNUSA-N 1 2 315.417 2.695 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491837 267202836 /nfs/dbraw/zinc/20/28/36/267202836.db2.gz JQFIQQKHDWFPDE-GXTWGEPZSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491837 267202842 /nfs/dbraw/zinc/20/28/42/267202842.db2.gz JQFIQQKHDWFPDE-GXTWGEPZSA-N 1 2 319.405 2.596 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000346980298 267213656 /nfs/dbraw/zinc/21/36/56/267213656.db2.gz VGHDEBPPNIJEED-XHDPSFHLSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000346980298 267213657 /nfs/dbraw/zinc/21/36/57/267213657.db2.gz VGHDEBPPNIJEED-XHDPSFHLSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347127250 267251939 /nfs/dbraw/zinc/25/19/39/267251939.db2.gz USCCPWCGXRNWLG-JQWIXIFHSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347127250 267251944 /nfs/dbraw/zinc/25/19/44/267251944.db2.gz USCCPWCGXRNWLG-JQWIXIFHSA-N 1 2 309.207 2.523 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000455456768 267256575 /nfs/dbraw/zinc/25/65/75/267256575.db2.gz PXZZAHXVNNMIQC-CYBMUJFWSA-N 1 2 311.389 2.677 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000456335614 267258917 /nfs/dbraw/zinc/25/89/17/267258917.db2.gz AKYXVDFYOGPXNI-VIFPVBQESA-N 1 2 304.300 2.544 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC ZINC000454641460 267259664 /nfs/dbraw/zinc/25/96/64/267259664.db2.gz KQDSUZODXNMTGU-NSHDSACASA-N 1 2 313.361 2.666 20 30 DFEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cnc2ccc(C#N)cn12 ZINC000447056855 267311364 /nfs/dbraw/zinc/31/13/64/267311364.db2.gz NKUNCYQRIIVIEO-UHFFFAOYSA-N 1 2 322.416 2.859 20 30 DFEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cnc2ccc(C#N)cn12 ZINC000447056855 267311365 /nfs/dbraw/zinc/31/13/65/267311365.db2.gz NKUNCYQRIIVIEO-UHFFFAOYSA-N 1 2 322.416 2.859 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439029675 267318206 /nfs/dbraw/zinc/31/82/06/267318206.db2.gz SIIGEOCPNPHZRS-UHFFFAOYSA-N 1 2 305.341 2.870 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348267185 267724210 /nfs/dbraw/zinc/72/42/10/267724210.db2.gz MKNMLSFBKLNJIS-UHFFFAOYSA-N 1 2 320.352 2.635 20 30 DFEDLO C[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1cccc(C#N)c1 ZINC000457288088 267809845 /nfs/dbraw/zinc/80/98/45/267809845.db2.gz APICAIWFLJMUIM-NSHDSACASA-N 1 2 314.414 2.819 20 30 DFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323189 425810879 /nfs/dbraw/zinc/81/08/79/425810879.db2.gz GEBYKCXMWHFHFO-HNNXBMFYSA-N 1 2 319.408 2.968 20 30 DFEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323189 425810881 /nfs/dbraw/zinc/81/08/81/425810881.db2.gz GEBYKCXMWHFHFO-HNNXBMFYSA-N 1 2 319.408 2.968 20 30 DFEDLO C#Cc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045987950 425863767 /nfs/dbraw/zinc/86/37/67/425863767.db2.gz JUDLVKHZFXNRMW-UHFFFAOYSA-N 1 2 320.396 2.853 20 30 DFEDLO Cc1cc(NCc2cn3c([nH+]2)CCCC3)c(C#N)cc1[N+](=O)[O-] ZINC000413112243 268012241 /nfs/dbraw/zinc/01/22/41/268012241.db2.gz JOWUCPOZJHBCCL-UHFFFAOYSA-N 1 2 311.345 2.920 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cncc(C#N)n4)C3)[nH+]c2c1 ZINC000420611493 268049133 /nfs/dbraw/zinc/04/91/33/268049133.db2.gz NNOWWLBEMMYLQH-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO N#Cc1ccc(C2(C(=O)NCCCNc3cccc[nH+]3)CC2)cc1 ZINC000187111570 268052747 /nfs/dbraw/zinc/05/27/47/268052747.db2.gz KALVQIMHGDSOBV-UHFFFAOYSA-N 1 2 320.396 2.603 20 30 DFEDLO Cc1ccn2cc(CNC(=O)/C=C\c3ccc(C#N)cc3)[nH+]c2c1 ZINC000491250017 268062917 /nfs/dbraw/zinc/06/29/17/268062917.db2.gz NRNZYNYPZUBQTI-SREVYHEPSA-N 1 2 316.364 2.844 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000352200929 268068723 /nfs/dbraw/zinc/06/87/23/268068723.db2.gz CHQQJYJJQSQNIH-UHFFFAOYSA-N 1 2 321.371 2.732 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc3c(c1C#N)CCC3)CCC2 ZINC000521229102 268069393 /nfs/dbraw/zinc/06/93/93/268069393.db2.gz UKAKHJZSNQSPKG-AWEZNQCLSA-N 1 2 307.401 2.936 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)s1 ZINC000344206498 268075566 /nfs/dbraw/zinc/07/55/66/268075566.db2.gz FCGXBTVIBAJHPK-UHFFFAOYSA-N 1 2 300.309 2.668 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)c(C)n3)ccc2n1C ZINC000525217477 268079361 /nfs/dbraw/zinc/07/93/61/268079361.db2.gz ROZGZJKBEMONPW-UHFFFAOYSA-N 1 2 305.341 2.709 20 30 DFEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000456123346 268081819 /nfs/dbraw/zinc/08/18/19/268081819.db2.gz XFDMCDLVCNVAGD-UHFFFAOYSA-N 1 2 312.373 2.948 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416392149 268135598 /nfs/dbraw/zinc/13/55/98/268135598.db2.gz SFMYOKUIPUMMFT-OAHLLOKOSA-N 1 2 304.357 2.724 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000428448319 268163240 /nfs/dbraw/zinc/16/32/40/268163240.db2.gz PKPZGVPOFYRJCK-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000421737712 268220313 /nfs/dbraw/zinc/22/03/13/268220313.db2.gz MQVOGNPVHVBEIO-OTWHNJEPSA-N 1 2 323.440 2.639 20 30 DFEDLO CN(C)c1ccc(CNc2nc3c(cc2C#N)CCCC3)c[nH+]1 ZINC000270866598 268227904 /nfs/dbraw/zinc/22/79/04/268227904.db2.gz AVBKHDSAFCIEFO-UHFFFAOYSA-N 1 2 307.401 2.905 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)cc1 ZINC000436408057 268233219 /nfs/dbraw/zinc/23/32/19/268233219.db2.gz KJMRQWDEPNJYLR-UHFFFAOYSA-N 1 2 321.359 2.627 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000341972957 268241340 /nfs/dbraw/zinc/24/13/40/268241340.db2.gz PHVOSTQYKJNJLA-UHFFFAOYSA-N 1 2 306.325 2.980 20 30 DFEDLO N#Cc1cccc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000342728027 268244803 /nfs/dbraw/zinc/24/48/03/268244803.db2.gz GBEODHFIPCFMNL-UHFFFAOYSA-N 1 2 316.364 2.716 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000343992015 268244938 /nfs/dbraw/zinc/24/49/38/268244938.db2.gz QOLXSQITJUVBES-KRWDZBQOSA-N 1 2 303.369 2.598 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000425203641 268293389 /nfs/dbraw/zinc/29/33/89/268293389.db2.gz FOCMIAPUKYLJQK-UHFFFAOYSA-N 1 2 323.356 2.942 20 30 DFEDLO N#Cc1csc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343340116 268318999 /nfs/dbraw/zinc/31/89/99/268318999.db2.gz FOFGABYTGRXQET-UHFFFAOYSA-N 1 2 309.354 2.512 20 30 DFEDLO Cc1cc(N2CCC(c3nnc4n3CCCC4)CC2)c(C#N)c[nH+]1 ZINC000333471835 268398974 /nfs/dbraw/zinc/39/89/74/268398974.db2.gz NTPRUFDOVXDOCY-UHFFFAOYSA-N 1 2 322.416 2.574 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107437431 425992014 /nfs/dbraw/zinc/99/20/14/425992014.db2.gz NUFYBODYGDDDQC-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000107437431 425992017 /nfs/dbraw/zinc/99/20/17/425992017.db2.gz NUFYBODYGDDDQC-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C1 ZINC000158282605 425940358 /nfs/dbraw/zinc/94/03/58/425940358.db2.gz HEZSMLREDLCLCI-KBAYOESNSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C1 ZINC000158282605 425940363 /nfs/dbraw/zinc/94/03/63/425940363.db2.gz HEZSMLREDLCLCI-KBAYOESNSA-N 1 2 319.832 2.960 20 30 DFEDLO Cc1nc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)no1 ZINC000159104546 425954095 /nfs/dbraw/zinc/95/40/95/425954095.db2.gz YZYNZUQRMCXGSZ-UHFFFAOYSA-N 1 2 300.337 2.768 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(CC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866274 426023410 /nfs/dbraw/zinc/02/34/10/426023410.db2.gz KCUNKRIZSIVKKF-GOSISDBHSA-N 1 2 319.470 2.507 20 30 DFEDLO C#CC[N@H+](Cc1ccc(CC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866274 426023412 /nfs/dbraw/zinc/02/34/12/426023412.db2.gz KCUNKRIZSIVKKF-GOSISDBHSA-N 1 2 319.470 2.507 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+](C)[C@@H](C)CC#N)c(Cl)c1 ZINC000161847460 426042936 /nfs/dbraw/zinc/04/29/36/426042936.db2.gz FVSAGZUTGCJLHP-NSHDSACASA-N 1 2 310.781 2.739 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+](C)[C@@H](C)CC#N)c(Cl)c1 ZINC000161847460 426042939 /nfs/dbraw/zinc/04/29/39/426042939.db2.gz FVSAGZUTGCJLHP-NSHDSACASA-N 1 2 310.781 2.739 20 30 DFEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCCSCC#N)n1 ZINC000128151192 426105133 /nfs/dbraw/zinc/10/51/33/426105133.db2.gz VZMJOMYLXSOESK-LLVKDONJSA-N 1 2 314.480 2.962 20 30 DFEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCSCC#N)n1 ZINC000128151192 426105135 /nfs/dbraw/zinc/10/51/35/426105135.db2.gz VZMJOMYLXSOESK-LLVKDONJSA-N 1 2 314.480 2.962 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000076606349 426115438 /nfs/dbraw/zinc/11/54/38/426115438.db2.gz OUUBACQKBHSQLV-NSHDSACASA-N 1 2 313.854 2.841 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000076606349 426115441 /nfs/dbraw/zinc/11/54/41/426115441.db2.gz OUUBACQKBHSQLV-NSHDSACASA-N 1 2 313.854 2.841 20 30 DFEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164735888 426117613 /nfs/dbraw/zinc/11/76/13/426117613.db2.gz LYQCBBAGDFJUDK-OAHLLOKOSA-N 1 2 302.422 2.658 20 30 DFEDLO COCCN(Cc1ccc(C#N)cc1)c1cc[nH+]c(C2CC2)n1 ZINC000112554203 426081783 /nfs/dbraw/zinc/08/17/83/426081783.db2.gz VALUIDTXHCQPEB-UHFFFAOYSA-N 1 2 308.385 2.879 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(C#N)c1)C2 ZINC000112667808 426085829 /nfs/dbraw/zinc/08/58/29/426085829.db2.gz GNMXHDXASOXBRX-UHFFFAOYSA-N 1 2 308.385 2.614 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC000116895171 426200588 /nfs/dbraw/zinc/20/05/88/426200588.db2.gz ZHBMSPXBHQYEIG-QGZVFWFLSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000116895171 426200590 /nfs/dbraw/zinc/20/05/90/426200590.db2.gz ZHBMSPXBHQYEIG-QGZVFWFLSA-N 1 2 312.369 2.912 20 30 DFEDLO N#Cc1ccc([C@@H](Sc2[nH+]cc3ccccn32)C(N)=O)cc1 ZINC000115186034 426155731 /nfs/dbraw/zinc/15/57/31/426155731.db2.gz ARDUDFGKWWYRGN-CQSZACIVSA-N 1 2 308.366 2.525 20 30 DFEDLO Cc1csc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000170999975 426163631 /nfs/dbraw/zinc/16/36/31/426163631.db2.gz SEEIOOMQQKODAQ-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000131431447 426165029 /nfs/dbraw/zinc/16/50/29/426165029.db2.gz BAORSNYHNGQVDI-UHFFFAOYSA-N 1 2 321.371 2.662 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000134923590 426199783 /nfs/dbraw/zinc/19/97/83/426199783.db2.gz HHLAPLMGDBWCKF-IEBWSBKVSA-N 1 2 316.445 2.778 20 30 DFEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Cl ZINC000172034508 426221373 /nfs/dbraw/zinc/22/13/73/426221373.db2.gz XVUJJPKURJZFRY-AWEZNQCLSA-N 1 2 310.744 2.982 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2n1CCCCC2 ZINC000135676669 426225711 /nfs/dbraw/zinc/22/57/11/426225711.db2.gz JVTCVWSNTAVHSS-LLVKDONJSA-N 1 2 301.419 2.788 20 30 DFEDLO C#CCNC(=O)c1ccccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000083135272 426229563 /nfs/dbraw/zinc/22/95/63/426229563.db2.gz IWVICZQIKHCFAS-UHFFFAOYSA-N 1 2 318.380 2.618 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000339121279 268758379 /nfs/dbraw/zinc/75/83/79/268758379.db2.gz YSJFZCAPSSSFLM-CYBMUJFWSA-N 1 2 320.352 2.920 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(CC)cc1C(=O)OCC ZINC000121194538 426322889 /nfs/dbraw/zinc/32/28/89/426322889.db2.gz SLAYCPMAGLCTPC-UHFFFAOYSA-N 1 2 310.419 2.544 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1sc(CC)cc1C(=O)OCC ZINC000121194538 426322890 /nfs/dbraw/zinc/32/28/90/426322890.db2.gz SLAYCPMAGLCTPC-UHFFFAOYSA-N 1 2 310.419 2.544 20 30 DFEDLO C=CCCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000175138761 426281701 /nfs/dbraw/zinc/28/17/01/426281701.db2.gz ZYYOIFGLNMFEIF-UHFFFAOYSA-N 1 2 316.449 2.913 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153875 426281734 /nfs/dbraw/zinc/28/17/34/426281734.db2.gz LDFBIUHIGFKOAP-DLBZAZTESA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153875 426281737 /nfs/dbraw/zinc/28/17/37/426281737.db2.gz LDFBIUHIGFKOAP-DLBZAZTESA-N 1 2 305.805 2.571 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000175974755 426343381 /nfs/dbraw/zinc/34/33/81/426343381.db2.gz NIIGXTWSSKVYPP-UHFFFAOYSA-N 1 2 302.284 2.550 20 30 DFEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000092506903 426350015 /nfs/dbraw/zinc/35/00/15/426350015.db2.gz AXKYITXAMGDOBD-FMKPAKJESA-N 1 2 319.474 2.693 20 30 DFEDLO Cc1nc(COc2ccc(C[N@@H+](C)[C@@H](C)CC#N)cc2)no1 ZINC000093091050 426352806 /nfs/dbraw/zinc/35/28/06/426352806.db2.gz AXEJNPHUYYLDCR-LBPRGKRZSA-N 1 2 300.362 2.691 20 30 DFEDLO Cc1nc(COc2ccc(C[N@H+](C)[C@@H](C)CC#N)cc2)no1 ZINC000093091050 426352809 /nfs/dbraw/zinc/35/28/09/426352809.db2.gz AXEJNPHUYYLDCR-LBPRGKRZSA-N 1 2 300.362 2.691 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153207809 426376195 /nfs/dbraw/zinc/37/61/95/426376195.db2.gz MVUVOLYOQCFGKS-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCCc3cccc(C#N)c3)cc2n1C ZINC000340103720 268939794 /nfs/dbraw/zinc/93/97/94/268939794.db2.gz JRIUBWVGLZRACA-UHFFFAOYSA-N 1 2 318.380 2.726 20 30 DFEDLO N#Cc1c(NCCCn2cc[nH+]c2)nc2cc(Cl)ccn12 ZINC000341293362 269062013 /nfs/dbraw/zinc/06/20/13/269062013.db2.gz PGSPZEYTGMCMTK-UHFFFAOYSA-N 1 2 300.753 2.558 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196869 426452664 /nfs/dbraw/zinc/45/26/64/426452664.db2.gz LBGMZIORWJBWEK-QWHCGFSZSA-N 1 2 321.471 2.918 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196869 426452668 /nfs/dbraw/zinc/45/26/68/426452668.db2.gz LBGMZIORWJBWEK-QWHCGFSZSA-N 1 2 321.471 2.918 20 30 DFEDLO C/C(=C/c1ccccc1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154790685 426455452 /nfs/dbraw/zinc/45/54/52/426455452.db2.gz BQFGPBWRTKPURX-VLGSPTGOSA-N 1 2 313.445 2.638 20 30 DFEDLO C/C(=C/c1ccccc1)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000154790685 426455457 /nfs/dbraw/zinc/45/54/57/426455457.db2.gz BQFGPBWRTKPURX-VLGSPTGOSA-N 1 2 313.445 2.638 20 30 DFEDLO C/C(=C/c1ccccc1)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000154790685 426455459 /nfs/dbraw/zinc/45/54/59/426455459.db2.gz BQFGPBWRTKPURX-VLGSPTGOSA-N 1 2 313.445 2.638 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000155081186 426463093 /nfs/dbraw/zinc/46/30/93/426463093.db2.gz QJYMBJMXFIBBLH-HNNXBMFYSA-N 1 2 321.783 2.820 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177341192 426470234 /nfs/dbraw/zinc/47/02/34/426470234.db2.gz INTNDUMFFGULHH-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177341192 426470237 /nfs/dbraw/zinc/47/02/37/426470237.db2.gz INTNDUMFFGULHH-ZDUSSCGKSA-N 1 2 304.365 2.861 20 30 DFEDLO C=C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000264216415 426519582 /nfs/dbraw/zinc/51/95/82/426519582.db2.gz XETAYTLPLZTFLW-UHFFFAOYSA-N 1 2 312.329 2.573 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCc2noc(CC)n2)c(O)c1 ZINC000264316171 426534946 /nfs/dbraw/zinc/53/49/46/426534946.db2.gz MDNUDDZARWRXTO-GZTJUZNOSA-N 1 2 303.362 2.788 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 ZINC000280345867 426553898 /nfs/dbraw/zinc/55/38/98/426553898.db2.gz HOAIQNLNDKWTDR-GXTWGEPZSA-N 1 2 308.328 2.797 20 30 DFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000265204560 426596868 /nfs/dbraw/zinc/59/68/68/426596868.db2.gz KBCQHWHCQZICNK-HNNXBMFYSA-N 1 2 313.445 2.885 20 30 DFEDLO C[NH+](C)[C@H](CNc1cccc(C#N)n1)c1c(F)cccc1F ZINC000265513718 426650544 /nfs/dbraw/zinc/65/05/44/426650544.db2.gz PZOPMJQJDIPJNG-CQSZACIVSA-N 1 2 302.328 2.946 20 30 DFEDLO C=C(Cl)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265554823 426653563 /nfs/dbraw/zinc/65/35/63/426653563.db2.gz RWFYXXAUBGUOAO-CYBMUJFWSA-N 1 2 323.824 2.954 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000178559816 426654288 /nfs/dbraw/zinc/65/42/88/426654288.db2.gz SSNWZJYTSVQFPS-UHFFFAOYSA-N 1 2 309.373 2.932 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178582877 426659060 /nfs/dbraw/zinc/65/90/60/426659060.db2.gz WLVILMFOJRPWEP-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000290014495 426678529 /nfs/dbraw/zinc/67/85/29/426678529.db2.gz AMLGIYPPEZPFJO-NEPJUHHUSA-N 1 2 310.335 2.702 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)C(F)C(F)(F)F)C(C)C ZINC000290014495 426678542 /nfs/dbraw/zinc/67/85/42/426678542.db2.gz AMLGIYPPEZPFJO-NEPJUHHUSA-N 1 2 310.335 2.702 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281886916 426786198 /nfs/dbraw/zinc/78/61/98/426786198.db2.gz PSWGTDZARGYWQZ-OLZOCXBDSA-N 1 2 300.171 2.842 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281886916 426786200 /nfs/dbraw/zinc/78/62/00/426786200.db2.gz PSWGTDZARGYWQZ-OLZOCXBDSA-N 1 2 300.171 2.842 20 30 DFEDLO CC#CCCCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000274281015 426734127 /nfs/dbraw/zinc/73/41/27/426734127.db2.gz DQZFMFZXTLIITM-UHFFFAOYSA-N 1 2 301.312 2.597 20 30 DFEDLO C=CCCCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000274592518 426797355 /nfs/dbraw/zinc/79/73/55/426797355.db2.gz PPGBMVAFWLFJIM-MRXNPFEDSA-N 1 2 316.449 2.826 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000179663053 426810150 /nfs/dbraw/zinc/81/01/50/426810150.db2.gz LGUZAIWEJCHTQJ-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000179663053 426810154 /nfs/dbraw/zinc/81/01/54/426810154.db2.gz LGUZAIWEJCHTQJ-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000267060739 426817737 /nfs/dbraw/zinc/81/77/37/426817737.db2.gz FJRWVVIAMOJXGP-CYBMUJFWSA-N 1 2 304.390 2.751 20 30 DFEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000267060739 426817741 /nfs/dbraw/zinc/81/77/41/426817741.db2.gz FJRWVVIAMOJXGP-CYBMUJFWSA-N 1 2 304.390 2.751 20 30 DFEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274868436 426852993 /nfs/dbraw/zinc/85/29/93/426852993.db2.gz RYYWWNFYFCFJIF-CQSZACIVSA-N 1 2 324.384 2.833 20 30 DFEDLO C#CCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000282710777 426920472 /nfs/dbraw/zinc/92/04/72/426920472.db2.gz UWNRXCHCABSZDW-AWEZNQCLSA-N 1 2 300.406 2.866 20 30 DFEDLO Cc1c[nH]nc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000291585663 426920843 /nfs/dbraw/zinc/92/08/43/426920843.db2.gz PIDKNDVPSPPGOS-UHFFFAOYSA-N 1 2 314.364 2.772 20 30 DFEDLO Cc1cn[nH]c1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000291585663 426920846 /nfs/dbraw/zinc/92/08/46/426920846.db2.gz PIDKNDVPSPPGOS-UHFFFAOYSA-N 1 2 314.364 2.772 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295204252 426861262 /nfs/dbraw/zinc/86/12/62/426861262.db2.gz SYWPGEJOXCDNQU-LBPRGKRZSA-N 1 2 312.373 2.622 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295204252 426861267 /nfs/dbraw/zinc/86/12/67/426861267.db2.gz SYWPGEJOXCDNQU-LBPRGKRZSA-N 1 2 312.373 2.622 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000246992829 426888851 /nfs/dbraw/zinc/88/88/51/426888851.db2.gz WLODDXDIFWHOFV-CVEARBPZSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246992829 426888857 /nfs/dbraw/zinc/88/88/57/426888857.db2.gz WLODDXDIFWHOFV-CVEARBPZSA-N 1 2 318.442 2.990 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000181443835 426947847 /nfs/dbraw/zinc/94/78/47/426947847.db2.gz BHDGFZZGROSURJ-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000181443835 426947852 /nfs/dbraw/zinc/94/78/52/426947852.db2.gz BHDGFZZGROSURJ-UHFFFAOYSA-N 1 2 306.369 2.556 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337833601 426993825 /nfs/dbraw/zinc/99/38/25/426993825.db2.gz WSBDRQPZVOTHKG-UHFFFAOYSA-N 1 2 316.364 2.982 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275953905 426955685 /nfs/dbraw/zinc/95/56/85/426955685.db2.gz ALKNZHHORACOQB-IEBWSBKVSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275953905 426955692 /nfs/dbraw/zinc/95/56/92/426955692.db2.gz ALKNZHHORACOQB-IEBWSBKVSA-N 1 2 316.445 2.606 20 30 DFEDLO C[C@@H]1CCN(c2snc(Cl)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000268233139 426959060 /nfs/dbraw/zinc/95/90/60/426959060.db2.gz FXZPNTXGXGNFRH-KOLCDFICSA-N 1 2 307.810 2.952 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318969 426984658 /nfs/dbraw/zinc/98/46/58/426984658.db2.gz SKPJOZISHWGQPI-WCQYABFASA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000268318969 426984663 /nfs/dbraw/zinc/98/46/63/426984663.db2.gz SKPJOZISHWGQPI-WCQYABFASA-N 1 2 316.323 2.679 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000328645908 426986388 /nfs/dbraw/zinc/98/63/88/426986388.db2.gz GQRIBQUIKAKGEA-NFAWXSAZSA-N 1 2 304.438 2.961 20 30 DFEDLO Cc1cncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000189751624 426939982 /nfs/dbraw/zinc/93/99/82/426939982.db2.gz SSEJQQYTVIJSIO-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CSc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccn1 ZINC000329195942 427060644 /nfs/dbraw/zinc/06/06/44/427060644.db2.gz VNGHWKDGYOWFRJ-GFCCVEGCSA-N 1 2 302.403 2.719 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000328764100 426995956 /nfs/dbraw/zinc/99/59/56/426995956.db2.gz GAORDTKOSUVHKP-TZMCWYRMSA-N 1 2 314.389 2.794 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000328784770 426999857 /nfs/dbraw/zinc/99/98/57/426999857.db2.gz NZUXMAOYJKXISX-UGQVUOCMSA-N 1 2 321.421 2.538 20 30 DFEDLO Cc1nc(C)c(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000328852492 427003720 /nfs/dbraw/zinc/00/37/20/427003720.db2.gz IUSNRHFMFFEFRF-LLVKDONJSA-N 1 2 305.407 2.528 20 30 DFEDLO [O-]C(NCC1CCC(F)(F)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328852044 427004502 /nfs/dbraw/zinc/00/45/02/427004502.db2.gz WVUNUJVGWMIOKL-LBPRGKRZSA-N 1 2 312.364 2.527 20 30 DFEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCC(F)(F)CC1 ZINC000328852044 427004506 /nfs/dbraw/zinc/00/45/06/427004506.db2.gz WVUNUJVGWMIOKL-LBPRGKRZSA-N 1 2 312.364 2.527 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328856834 427004862 /nfs/dbraw/zinc/00/48/62/427004862.db2.gz YAGACVRVMMDTTK-CHWSQXEVSA-N 1 2 304.438 2.751 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)OC[C@@H]1CCCO1)CCC2 ZINC000328837529 427005360 /nfs/dbraw/zinc/00/53/60/427005360.db2.gz SYYIGFKRQIMWEK-KKUMJFAQSA-N 1 2 321.421 2.610 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc([C@@H]2CCCO2)n1 ZINC000328933542 427012195 /nfs/dbraw/zinc/01/21/95/427012195.db2.gz IQLZPYBYABHVKN-RNCFNFMXSA-N 1 2 318.402 2.580 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc([C@@H]2CCCO2)n1 ZINC000328933542 427012201 /nfs/dbraw/zinc/01/22/01/427012201.db2.gz IQLZPYBYABHVKN-RNCFNFMXSA-N 1 2 318.402 2.580 20 30 DFEDLO C#CCC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000276270558 427020279 /nfs/dbraw/zinc/02/02/79/427020279.db2.gz JYHZYXRXAHDEJD-UHFFFAOYSA-N 1 2 311.429 2.704 20 30 DFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CCCCCC1 ZINC000328994657 427020609 /nfs/dbraw/zinc/02/06/09/427020609.db2.gz WCOTZBBHCIUPAA-GVDBMIGSSA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CCCCCC1 ZINC000328994657 427020614 /nfs/dbraw/zinc/02/06/14/427020614.db2.gz WCOTZBBHCIUPAA-GVDBMIGSSA-N 1 2 324.465 2.528 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329061689 427037849 /nfs/dbraw/zinc/03/78/49/427037849.db2.gz JTSFIILIUHJRIE-PBHICJAKSA-N 1 2 310.438 2.546 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329061689 427037856 /nfs/dbraw/zinc/03/78/56/427037856.db2.gz JTSFIILIUHJRIE-PBHICJAKSA-N 1 2 310.438 2.546 20 30 DFEDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)N1CCSCC1 ZINC000329100447 427043251 /nfs/dbraw/zinc/04/32/51/427043251.db2.gz ZKNORNMGVVIYCM-UHFFFAOYSA-N 1 2 302.403 2.540 20 30 DFEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329221546 427066752 /nfs/dbraw/zinc/06/67/52/427066752.db2.gz UZAVHHFEPJUJJP-YWPYICTPSA-N 1 2 318.421 2.936 20 30 DFEDLO Cc1nnc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)o1 ZINC000329218394 427067379 /nfs/dbraw/zinc/06/73/79/427067379.db2.gz RRYDUESHHOCHFT-UHFFFAOYSA-N 1 2 306.410 2.879 20 30 DFEDLO CC1(C)C[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C(C)(C)O1 ZINC000329237664 427069371 /nfs/dbraw/zinc/06/93/71/427069371.db2.gz KMSFUUCITLHTPZ-ZDUSSCGKSA-N 1 2 320.437 2.569 20 30 DFEDLO C=CCC[N@@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000276448024 427070188 /nfs/dbraw/zinc/07/01/88/427070188.db2.gz PGEPGMVKTZVJPG-UHFFFAOYSA-N 1 2 308.403 2.629 20 30 DFEDLO C=CCC[N@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000276448024 427070193 /nfs/dbraw/zinc/07/01/93/427070193.db2.gz PGEPGMVKTZVJPG-UHFFFAOYSA-N 1 2 308.403 2.629 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C)CC2)c(C#N)c1C ZINC000248975813 427071045 /nfs/dbraw/zinc/07/10/45/427071045.db2.gz DVJLERHTUJNHCV-ZYHUDNBSSA-N 1 2 321.446 2.923 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C)CC2)c(C#N)c1C ZINC000248975813 427071053 /nfs/dbraw/zinc/07/10/53/427071053.db2.gz DVJLERHTUJNHCV-ZYHUDNBSSA-N 1 2 321.446 2.923 20 30 DFEDLO O=C(NCCOC1CCCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329239362 427071595 /nfs/dbraw/zinc/07/15/95/427071595.db2.gz LYPLCXFATKRFSB-KRWDZBQOSA-N 1 2 324.465 2.936 20 30 DFEDLO O=C(NCCOC1CCCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329239362 427071603 /nfs/dbraw/zinc/07/16/03/427071603.db2.gz LYPLCXFATKRFSB-KRWDZBQOSA-N 1 2 324.465 2.936 20 30 DFEDLO CN(CC1CC1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329287862 427082709 /nfs/dbraw/zinc/08/27/09/427082709.db2.gz PTMMAFLOLYBKDD-ZDUSSCGKSA-N 1 2 304.438 2.751 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000249128112 427090813 /nfs/dbraw/zinc/09/08/13/427090813.db2.gz KEHOJKNATYKHKD-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000249128112 427090819 /nfs/dbraw/zinc/09/08/19/427090819.db2.gz KEHOJKNATYKHKD-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CCCCO1 ZINC000329402553 427107107 /nfs/dbraw/zinc/10/71/07/427107107.db2.gz YLQGTPCKAWBRGS-BPUTZDHNSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CCCCO1 ZINC000329402553 427107114 /nfs/dbraw/zinc/10/71/14/427107114.db2.gz YLQGTPCKAWBRGS-BPUTZDHNSA-N 1 2 310.438 2.544 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)sc1C ZINC000329434413 427115756 /nfs/dbraw/zinc/11/57/56/427115756.db2.gz INVYHPDHNYOQDN-NSHDSACASA-N 1 2 309.435 2.849 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCOCC3(CC3)C2)sc1C ZINC000329434413 427115765 /nfs/dbraw/zinc/11/57/65/427115765.db2.gz INVYHPDHNYOQDN-NSHDSACASA-N 1 2 309.435 2.849 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CC3)C2)sc1C ZINC000329434412 427117350 /nfs/dbraw/zinc/11/73/50/427117350.db2.gz INVYHPDHNYOQDN-LLVKDONJSA-N 1 2 309.435 2.849 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CC3)C2)sc1C ZINC000329434412 427117355 /nfs/dbraw/zinc/11/73/55/427117355.db2.gz INVYHPDHNYOQDN-LLVKDONJSA-N 1 2 309.435 2.849 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)[nH]1 ZINC000329475782 427123389 /nfs/dbraw/zinc/12/33/89/427123389.db2.gz PDRRKMUQUHPZME-WCQYABFASA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000329475782 427123395 /nfs/dbraw/zinc/12/33/95/427123395.db2.gz PDRRKMUQUHPZME-WCQYABFASA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000329475782 427123402 /nfs/dbraw/zinc/12/34/02/427123402.db2.gz PDRRKMUQUHPZME-WCQYABFASA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n[nH]1 ZINC000329475782 427123405 /nfs/dbraw/zinc/12/34/05/427123405.db2.gz PDRRKMUQUHPZME-WCQYABFASA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n[nH]1 ZINC000329475782 427123414 /nfs/dbraw/zinc/12/34/14/427123414.db2.gz PDRRKMUQUHPZME-WCQYABFASA-N 1 2 305.426 2.580 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C#N)ccc1OCCOC ZINC000296272984 427131883 /nfs/dbraw/zinc/13/18/83/427131883.db2.gz CHKLGEAZTVFMMA-CYBMUJFWSA-N 1 2 314.389 2.973 20 30 DFEDLO COC1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329523700 427133075 /nfs/dbraw/zinc/13/30/75/427133075.db2.gz GPLBZVQNIDLKCQ-BDVYOWHSSA-N 1 2 324.465 2.792 20 30 DFEDLO COC1CCC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329523700 427133082 /nfs/dbraw/zinc/13/30/82/427133082.db2.gz GPLBZVQNIDLKCQ-BDVYOWHSSA-N 1 2 324.465 2.792 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C#N)ccc1OCCOC ZINC000296272988 427133251 /nfs/dbraw/zinc/13/32/51/427133251.db2.gz CHKLGEAZTVFMMA-ZDUSSCGKSA-N 1 2 314.389 2.973 20 30 DFEDLO CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329525045 427134619 /nfs/dbraw/zinc/13/46/19/427134619.db2.gz SKXNMGWXCVFPDL-QAPCUYQASA-N 1 2 324.465 2.528 20 30 DFEDLO CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329525045 427134623 /nfs/dbraw/zinc/13/46/23/427134623.db2.gz SKXNMGWXCVFPDL-QAPCUYQASA-N 1 2 324.465 2.528 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3(C#N)CCCCC3)n2)C1 ZINC000329541567 427138131 /nfs/dbraw/zinc/13/81/31/427138131.db2.gz NKIXIFBPLZLCER-ZDUSSCGKSA-N 1 2 304.394 2.577 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C3(C#N)CCCCC3)n2)C1 ZINC000329541567 427138134 /nfs/dbraw/zinc/13/81/34/427138134.db2.gz NKIXIFBPLZLCER-ZDUSSCGKSA-N 1 2 304.394 2.577 20 30 DFEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000268922708 427138875 /nfs/dbraw/zinc/13/88/75/427138875.db2.gz UESNCGGNBKZTSK-UHFFFAOYSA-N 1 2 309.797 2.913 20 30 DFEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000268922708 427138879 /nfs/dbraw/zinc/13/88/79/427138879.db2.gz UESNCGGNBKZTSK-UHFFFAOYSA-N 1 2 309.797 2.913 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(C#N)c1C ZINC000338093308 427139059 /nfs/dbraw/zinc/13/90/59/427139059.db2.gz MUEWMUGFEJZPKU-UHFFFAOYSA-N 1 2 318.380 2.955 20 30 DFEDLO Cc1csc(C2([NH2+]CC(=O)NC3CCOCC3)CCC2)n1 ZINC000329609370 427152901 /nfs/dbraw/zinc/15/29/01/427152901.db2.gz NKBDIGSJMYIIQC-UHFFFAOYSA-N 1 2 309.435 2.556 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)ccc1OC)C(C)(C)C ZINC000157290362 271066610 /nfs/dbraw/zinc/06/66/10/271066610.db2.gz LBKPTOFTFKYEPQ-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)ccc1OC)C(C)(C)C ZINC000157290362 271066612 /nfs/dbraw/zinc/06/66/12/271066612.db2.gz LBKPTOFTFKYEPQ-UHFFFAOYSA-N 1 2 304.390 2.730 20 30 DFEDLO Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccccc2[nH+]1 ZINC000172684708 271114485 /nfs/dbraw/zinc/11/44/85/271114485.db2.gz XVYDKGQRFYYETE-UHFFFAOYSA-N 1 2 314.352 2.821 20 30 DFEDLO CCc1nnc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)[nH]1 ZINC000190706777 427165479 /nfs/dbraw/zinc/16/54/79/427165479.db2.gz YTBJOFVJEHVFHK-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000190706777 427165484 /nfs/dbraw/zinc/16/54/84/427165484.db2.gz YTBJOFVJEHVFHK-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n[nH]1 ZINC000190706777 427165490 /nfs/dbraw/zinc/16/54/90/427165490.db2.gz YTBJOFVJEHVFHK-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338256112 427219354 /nfs/dbraw/zinc/21/93/54/427219354.db2.gz JHQODSJPTJCLPE-CZUORRHYSA-N 1 2 322.836 2.794 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471555 427247561 /nfs/dbraw/zinc/24/75/61/427247561.db2.gz OENODDSQJMHOQW-SMDDNHRTSA-N 1 2 317.355 2.624 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471555 427247565 /nfs/dbraw/zinc/24/75/65/427247565.db2.gz OENODDSQJMHOQW-SMDDNHRTSA-N 1 2 317.355 2.624 20 30 DFEDLO Cc1coc(C)c1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000330479752 427248053 /nfs/dbraw/zinc/24/80/53/427248053.db2.gz MQVUAAJDUBAJJF-UHFFFAOYSA-N 1 2 306.366 2.581 20 30 DFEDLO C[NH+](C)CC1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330608367 427273160 /nfs/dbraw/zinc/27/31/60/427273160.db2.gz KZZHLOJAAXYKQT-UHFFFAOYSA-N 1 2 321.377 2.725 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000330619697 427274632 /nfs/dbraw/zinc/27/46/32/427274632.db2.gz ZMBJYMXEGDGFPI-KDOFPFPSSA-N 1 2 315.417 2.812 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000330619697 427274637 /nfs/dbraw/zinc/27/46/37/427274637.db2.gz ZMBJYMXEGDGFPI-KDOFPFPSSA-N 1 2 315.417 2.812 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000285651477 427298878 /nfs/dbraw/zinc/29/88/78/427298878.db2.gz MIMHBVXWZNMJJZ-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000285651477 427298885 /nfs/dbraw/zinc/29/88/85/427298885.db2.gz MIMHBVXWZNMJJZ-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1ccc(-c2nnc(C[NH+]3CCC(C)(C#N)CC3)o2)cc1 ZINC000330784991 427301521 /nfs/dbraw/zinc/30/15/21/427301521.db2.gz SQFNYJXXGVDSIJ-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000330833712 427307486 /nfs/dbraw/zinc/30/74/86/427307486.db2.gz VKZKNWYTLNMKSV-WMLDXEAASA-N 1 2 303.406 2.861 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000330833712 427307492 /nfs/dbraw/zinc/30/74/92/427307492.db2.gz VKZKNWYTLNMKSV-WMLDXEAASA-N 1 2 303.406 2.861 20 30 DFEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C(F)(F)F)o1 ZINC000331011169 427328165 /nfs/dbraw/zinc/32/81/65/427328165.db2.gz JGSQODBKEGTSGM-VIFPVBQESA-N 1 2 320.311 2.632 20 30 DFEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C(F)(F)F)o1 ZINC000331011169 427328168 /nfs/dbraw/zinc/32/81/68/427328168.db2.gz JGSQODBKEGTSGM-VIFPVBQESA-N 1 2 320.311 2.632 20 30 DFEDLO C[C@@H]1[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1(C)C ZINC000331061565 427335708 /nfs/dbraw/zinc/33/57/08/427335708.db2.gz ULJMNQPQOICOSY-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@@H]1[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1(C)C ZINC000331061565 427335714 /nfs/dbraw/zinc/33/57/14/427335714.db2.gz ULJMNQPQOICOSY-NSHDSACASA-N 1 2 321.808 2.649 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338380021 427288545 /nfs/dbraw/zinc/28/85/45/427288545.db2.gz RVBGEBUUTRKCES-ZDUSSCGKSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338380021 427288552 /nfs/dbraw/zinc/28/85/52/427288552.db2.gz RVBGEBUUTRKCES-ZDUSSCGKSA-N 1 2 313.401 2.842 20 30 DFEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1C#N ZINC000285618918 427293736 /nfs/dbraw/zinc/29/37/36/427293736.db2.gz KQHILZWDPFIONL-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1C#N ZINC000285618918 427293742 /nfs/dbraw/zinc/29/37/42/427293742.db2.gz KQHILZWDPFIONL-HNNXBMFYSA-N 1 2 312.373 2.986 20 30 DFEDLO CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000331228477 427375664 /nfs/dbraw/zinc/37/56/64/427375664.db2.gz FGLPBCCYCYEBHJ-KGLIPLIRSA-N 1 2 320.433 2.929 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000271032712 427379687 /nfs/dbraw/zinc/37/96/87/427379687.db2.gz LGUZAIWEJCHTQJ-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000271032712 427379689 /nfs/dbraw/zinc/37/96/89/427379689.db2.gz LGUZAIWEJCHTQJ-OAHLLOKOSA-N 1 2 316.401 2.873 20 30 DFEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260245 427385861 /nfs/dbraw/zinc/38/58/61/427385861.db2.gz APSNQTANBXHTLE-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260245 427385866 /nfs/dbraw/zinc/38/58/66/427385866.db2.gz APSNQTANBXHTLE-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000331300129 427396285 /nfs/dbraw/zinc/39/62/85/427396285.db2.gz DRGTVBGYTIYFGB-RISCZKNCSA-N 1 2 319.405 2.683 20 30 DFEDLO N#Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278101477 427404531 /nfs/dbraw/zinc/40/45/31/427404531.db2.gz PFNHRYKWGYSKQW-HUUCEWRRSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278101477 427404535 /nfs/dbraw/zinc/40/45/35/427404535.db2.gz PFNHRYKWGYSKQW-HUUCEWRRSA-N 1 2 310.357 2.534 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)s2)cn1 ZINC000191752691 427417721 /nfs/dbraw/zinc/41/77/21/427417721.db2.gz DKHSFZWCRXNWAO-CQSZACIVSA-N 1 2 304.444 2.643 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)s2)cn1 ZINC000191752691 427417722 /nfs/dbraw/zinc/41/77/22/427417722.db2.gz DKHSFZWCRXNWAO-CQSZACIVSA-N 1 2 304.444 2.643 20 30 DFEDLO COCCN(C)c1ccc(CNc2cccc(C#N)c2C)c[nH+]1 ZINC000191463105 427356305 /nfs/dbraw/zinc/35/63/05/427356305.db2.gz SWOSCSLLAQCXFA-UHFFFAOYSA-N 1 2 310.401 2.956 20 30 DFEDLO Cc1ccc([C@@H](CNc2ccnc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000286185922 427448736 /nfs/dbraw/zinc/44/87/36/427448736.db2.gz DSZWYYUELYWMIM-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000191941582 427449877 /nfs/dbraw/zinc/44/98/77/427449877.db2.gz MVRMRUMGJRBHFS-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO CN(CCCn1cc[nH+]c1)c1nc2cc(Cl)ccn2c1C#N ZINC000286270060 427476198 /nfs/dbraw/zinc/47/61/98/427476198.db2.gz QNCONHATDLQART-UHFFFAOYSA-N 1 2 314.780 2.582 20 30 DFEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000192228917 427506194 /nfs/dbraw/zinc/50/61/94/427506194.db2.gz JJUKCYPGGSBNRQ-UHFFFAOYSA-N 1 2 313.422 2.893 20 30 DFEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000192228917 427506197 /nfs/dbraw/zinc/50/61/97/427506197.db2.gz JJUKCYPGGSBNRQ-UHFFFAOYSA-N 1 2 313.422 2.893 20 30 DFEDLO CCOC1(C)CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000298184529 427528840 /nfs/dbraw/zinc/52/88/40/427528840.db2.gz AKFNLVODSGLNCY-UHFFFAOYSA-N 1 2 319.405 2.598 20 30 DFEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000271463895 427549409 /nfs/dbraw/zinc/54/94/09/427549409.db2.gz QETGXXDHGFSRHS-UHFFFAOYSA-N 1 2 314.433 2.932 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOCC23CC3)cc1OCCCC#N ZINC000338999952 427616521 /nfs/dbraw/zinc/61/65/21/427616521.db2.gz RLQDAIVHLXWUDH-UHFFFAOYSA-N 1 2 316.401 2.743 20 30 DFEDLO COc1ccc(C[N@H+]2CCOCC23CC3)cc1OCCCC#N ZINC000338999952 427616526 /nfs/dbraw/zinc/61/65/26/427616526.db2.gz RLQDAIVHLXWUDH-UHFFFAOYSA-N 1 2 316.401 2.743 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)s1 ZINC000185013068 427576987 /nfs/dbraw/zinc/57/69/87/427576987.db2.gz ZUCVBBKDMFWIAJ-VIFPVBQESA-N 1 2 306.416 2.674 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643165 427579554 /nfs/dbraw/zinc/57/95/54/427579554.db2.gz LFBHGNCPSLPIMS-AWEZNQCLSA-N 1 2 319.405 2.840 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643165 427579557 /nfs/dbraw/zinc/57/95/57/427579557.db2.gz LFBHGNCPSLPIMS-AWEZNQCLSA-N 1 2 319.405 2.840 20 30 DFEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263862812 427594760 /nfs/dbraw/zinc/59/47/60/427594760.db2.gz AABXFQVVFANDSN-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000263862812 427594769 /nfs/dbraw/zinc/59/47/69/427594769.db2.gz AABXFQVVFANDSN-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185102303 427595237 /nfs/dbraw/zinc/59/52/37/427595237.db2.gz ZRJKCYDSNDJAEB-UHFFFAOYSA-N 1 2 321.789 2.822 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017412 427628432 /nfs/dbraw/zinc/62/84/32/427628432.db2.gz LQRNFGOHZPVYDX-XJKSGUPXSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017412 427628437 /nfs/dbraw/zinc/62/84/37/427628437.db2.gz LQRNFGOHZPVYDX-XJKSGUPXSA-N 1 2 317.820 2.676 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3ccnc(C#N)c3)ccc2[nH+]1 ZINC000192917001 427635070 /nfs/dbraw/zinc/63/50/70/427635070.db2.gz GVZWAXHDLZNJBI-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000279345724 427646087 /nfs/dbraw/zinc/64/60/87/427646087.db2.gz FLAPAMNWPOXINX-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000279345724 427646090 /nfs/dbraw/zinc/64/60/90/427646090.db2.gz FLAPAMNWPOXINX-UHFFFAOYSA-N 1 2 312.373 2.755 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000287895908 427712195 /nfs/dbraw/zinc/71/21/95/427712195.db2.gz UMZSNMAALOSOEM-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000287895908 427712198 /nfs/dbraw/zinc/71/21/98/427712198.db2.gz UMZSNMAALOSOEM-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336980396 427782815 /nfs/dbraw/zinc/78/28/15/427782815.db2.gz SAOPWEGUWWGHNH-KGLIPLIRSA-N 1 2 302.422 2.683 20 30 DFEDLO COc1cccc([C@@H](Nc2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000301287263 427787025 /nfs/dbraw/zinc/78/70/25/427787025.db2.gz RJSJHYZNGLVRGO-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000339196377 427728016 /nfs/dbraw/zinc/72/80/16/427728016.db2.gz AXSDVHWKAFXRAV-KGLIPLIRSA-N 1 2 307.394 2.651 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000339196377 427728019 /nfs/dbraw/zinc/72/80/19/427728019.db2.gz AXSDVHWKAFXRAV-KGLIPLIRSA-N 1 2 307.394 2.651 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000301342841 427789986 /nfs/dbraw/zinc/78/99/86/427789986.db2.gz JGJVAEJZUICDKX-HNNXBMFYSA-N 1 2 324.428 2.856 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1ncc(I)s1 ZINC000336656971 427745668 /nfs/dbraw/zinc/74/56/68/427745668.db2.gz QPTHCHQYSRKOMQ-UHFFFAOYSA-N 1 2 308.188 2.756 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1ncc(I)s1 ZINC000336656971 427745669 /nfs/dbraw/zinc/74/56/69/427745669.db2.gz QPTHCHQYSRKOMQ-UHFFFAOYSA-N 1 2 308.188 2.756 20 30 DFEDLO C=C(Br)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000299100040 427751212 /nfs/dbraw/zinc/75/12/12/427751212.db2.gz XQZRBQSZQUKOGY-UHFFFAOYSA-N 1 2 309.207 2.659 20 30 DFEDLO C=C(Br)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000299100040 427751215 /nfs/dbraw/zinc/75/12/15/427751215.db2.gz XQZRBQSZQUKOGY-UHFFFAOYSA-N 1 2 309.207 2.659 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000336793398 427752029 /nfs/dbraw/zinc/75/20/29/427752029.db2.gz WOGNDZPOOAGXCM-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000336793398 427752031 /nfs/dbraw/zinc/75/20/31/427752031.db2.gz WOGNDZPOOAGXCM-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO Cc1cc(NCCOc2ccc3c(c2)OCO3)c(C#N)c(C)[nH+]1 ZINC000301670349 427814418 /nfs/dbraw/zinc/81/44/18/427814418.db2.gz NSCOATAFCJJJLX-UHFFFAOYSA-N 1 2 311.341 2.790 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000337223857 427818497 /nfs/dbraw/zinc/81/84/97/427818497.db2.gz OJKQNGWYTWGLCI-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1C#N ZINC000302721184 427858014 /nfs/dbraw/zinc/85/80/14/427858014.db2.gz PIJBRDWGBDABPO-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1cccc(OC[C@@H](O)CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301753425 427821557 /nfs/dbraw/zinc/82/15/57/427821557.db2.gz BWBFZIDYJQCQTC-HNNXBMFYSA-N 1 2 311.385 2.730 20 30 DFEDLO Cc1cc(NCc2ccc(C(=O)N(C)C)cc2)c(C#N)c(C)[nH+]1 ZINC000301756141 427821996 /nfs/dbraw/zinc/82/19/96/427821996.db2.gz DOHJDPOYTZUWQB-UHFFFAOYSA-N 1 2 308.385 2.884 20 30 DFEDLO N#Cc1ccc2nc(N3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000301811510 427826359 /nfs/dbraw/zinc/82/63/59/427826359.db2.gz HCGVWXJEMUFVAO-UHFFFAOYSA-N 1 2 315.380 2.828 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339775034 427827288 /nfs/dbraw/zinc/82/72/88/427827288.db2.gz IIUVXHYRHUTMTP-KRWDZBQOSA-N 1 2 300.402 2.958 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339775034 427827289 /nfs/dbraw/zinc/82/72/89/427827289.db2.gz IIUVXHYRHUTMTP-KRWDZBQOSA-N 1 2 300.402 2.958 20 30 DFEDLO Cc1cc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C#N)c(C)[nH+]1 ZINC000302786749 427870688 /nfs/dbraw/zinc/87/06/88/427870688.db2.gz WHCPXYJLSJQLAC-UHFFFAOYSA-N 1 2 324.340 2.746 20 30 DFEDLO N#Cc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)s1 ZINC000355772507 427884327 /nfs/dbraw/zinc/88/43/27/427884327.db2.gz PDCIZDBOIKHURW-UHFFFAOYSA-N 1 2 307.338 2.908 20 30 DFEDLO Cc1cc(C#N)cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000339975889 427893863 /nfs/dbraw/zinc/89/38/63/427893863.db2.gz NUMAHXXCEFPGTP-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)C1CC1 ZINC000349918494 427900123 /nfs/dbraw/zinc/90/01/23/427900123.db2.gz VAKBTXLEDZREGM-CQSZACIVSA-N 1 2 313.336 2.704 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000350016532 427922895 /nfs/dbraw/zinc/92/28/95/427922895.db2.gz BBYOEXPXTZAHMV-OAHLLOKOSA-N 1 2 314.364 2.705 20 30 DFEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccccc1 ZINC000337582998 427969258 /nfs/dbraw/zinc/96/92/58/427969258.db2.gz JRXKNSHPUQHLSI-APWZRJJASA-N 1 2 321.424 2.914 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC#N)C1CCCC1)C2 ZINC000369653652 428025032 /nfs/dbraw/zinc/02/50/32/428025032.db2.gz IZHPKIXWBCEJGC-CYBMUJFWSA-N 1 2 314.433 2.933 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC#N)C1CCCC1)CC2 ZINC000369653652 428025035 /nfs/dbraw/zinc/02/50/35/428025035.db2.gz IZHPKIXWBCEJGC-CYBMUJFWSA-N 1 2 314.433 2.933 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000356107913 428026210 /nfs/dbraw/zinc/02/62/10/428026210.db2.gz FFLZPHXVEBRPLD-INIZCTEOSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)n1 ZINC000356107913 428026213 /nfs/dbraw/zinc/02/62/13/428026213.db2.gz FFLZPHXVEBRPLD-INIZCTEOSA-N 1 2 313.426 2.887 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3nnc(C)o3)C2)c1 ZINC000369681082 428034440 /nfs/dbraw/zinc/03/44/40/428034440.db2.gz HUEZWCBGZSHJEF-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3nnc(C)o3)C2)c1 ZINC000369681082 428034446 /nfs/dbraw/zinc/03/44/46/428034446.db2.gz HUEZWCBGZSHJEF-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)ccc1F ZINC000341188962 428007344 /nfs/dbraw/zinc/00/73/44/428007344.db2.gz OOHGSTNTRAQDDK-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369920324 428089873 /nfs/dbraw/zinc/08/98/73/428089873.db2.gz OKUWBHVAEYAUJH-BXUZGUMPSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369920324 428089877 /nfs/dbraw/zinc/08/98/77/428089877.db2.gz OKUWBHVAEYAUJH-BXUZGUMPSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCOc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000351567383 428102135 /nfs/dbraw/zinc/10/21/35/428102135.db2.gz JJBADTPCTGJVGU-UHFFFAOYSA-N 1 2 320.396 3.503 20 30 DFEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C#N)c1ccccn1 ZINC000351831873 428111942 /nfs/dbraw/zinc/11/19/42/428111942.db2.gz UDWLNKZTJORCQX-GOSISDBHSA-N 1 2 309.369 2.521 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000370020563 428113424 /nfs/dbraw/zinc/11/34/24/428113424.db2.gz NYEAYBHOLBWPDC-HNNXBMFYSA-N 1 2 302.422 2.658 20 30 DFEDLO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1Cl ZINC000377388817 428118582 /nfs/dbraw/zinc/11/85/82/428118582.db2.gz FPUJMLPDXKKOJY-LLVKDONJSA-N 1 2 304.756 2.721 20 30 DFEDLO Cc1ccn2cc(CNC(=O)[C@H](C)c3cccc(C#N)c3)[nH+]c2c1 ZINC000360025538 428122074 /nfs/dbraw/zinc/12/20/74/428122074.db2.gz QZYVEOSNOPFRPQ-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000352371264 428134848 /nfs/dbraw/zinc/13/48/48/428134848.db2.gz HTWZTTGPWVZPKW-MRXNPFEDSA-N 1 2 306.793 2.593 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000352371264 428134855 /nfs/dbraw/zinc/13/48/55/428134855.db2.gz HTWZTTGPWVZPKW-MRXNPFEDSA-N 1 2 306.793 2.593 20 30 DFEDLO CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000360075881 428148258 /nfs/dbraw/zinc/14/82/58/428148258.db2.gz VVELHYAPPMLBHL-DOTOQJQBSA-N 1 2 314.433 2.894 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000360075881 428148263 /nfs/dbraw/zinc/14/82/63/428148263.db2.gz VVELHYAPPMLBHL-DOTOQJQBSA-N 1 2 314.433 2.894 20 30 DFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356413663 428166988 /nfs/dbraw/zinc/16/69/88/428166988.db2.gz MMNQOKCVAUHFSO-LBPRGKRZSA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356413663 428166990 /nfs/dbraw/zinc/16/69/90/428166990.db2.gz MMNQOKCVAUHFSO-LBPRGKRZSA-N 1 2 307.419 2.568 20 30 DFEDLO CC[C@@H](CO)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356423657 428172775 /nfs/dbraw/zinc/17/27/75/428172775.db2.gz LFZBEJZKBWBZMM-HNNXBMFYSA-N 1 2 301.415 2.788 20 30 DFEDLO CC[C@@H](CO)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356423657 428172778 /nfs/dbraw/zinc/17/27/78/428172778.db2.gz LFZBEJZKBWBZMM-HNNXBMFYSA-N 1 2 301.415 2.788 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ncn(C)n1 ZINC000356435586 428178254 /nfs/dbraw/zinc/17/82/54/428178254.db2.gz XVZDFPNPWFHHKI-VIFPVBQESA-N 1 2 309.295 2.556 20 30 DFEDLO C=C(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000360224698 428211216 /nfs/dbraw/zinc/21/12/16/428211216.db2.gz FQLNHMBVEKOAPX-UHFFFAOYSA-N 1 2 304.353 2.711 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000346541257 428211339 /nfs/dbraw/zinc/21/13/39/428211339.db2.gz YADBHFPLTHFZKI-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000346541257 428211345 /nfs/dbraw/zinc/21/13/45/428211345.db2.gz YADBHFPLTHFZKI-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO CC(C)c1cnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1C(C)C ZINC000414148361 428220695 /nfs/dbraw/zinc/22/06/95/428220695.db2.gz NTEJTGRCPLSYPX-AWEZNQCLSA-N 1 2 324.494 2.886 20 30 DFEDLO CC(C)c1cnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1C(C)C ZINC000414148361 428220698 /nfs/dbraw/zinc/22/06/98/428220698.db2.gz NTEJTGRCPLSYPX-AWEZNQCLSA-N 1 2 324.494 2.886 20 30 DFEDLO CCn1ccnc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000360253821 428224515 /nfs/dbraw/zinc/22/45/15/428224515.db2.gz LBTVJNYUJXFYMR-UHFFFAOYSA-N 1 2 310.401 2.818 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000341999111 428273889 /nfs/dbraw/zinc/27/38/89/428273889.db2.gz WZCLDLPMEWOBOR-GFCCVEGCSA-N 1 2 319.361 2.582 20 30 DFEDLO COC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000352846893 428276756 /nfs/dbraw/zinc/27/67/56/428276756.db2.gz SUKBDGMYOLDPOC-CYBMUJFWSA-N 1 2 309.341 2.770 20 30 DFEDLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000360383388 428278763 /nfs/dbraw/zinc/27/87/63/428278763.db2.gz WNTCPRQOQUISIX-ZDUSSCGKSA-N 1 2 304.353 2.626 20 30 DFEDLO C=CCOc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1OC ZINC000346709406 428284375 /nfs/dbraw/zinc/28/43/75/428284375.db2.gz XYJFPHXCQMRKQF-UHFFFAOYSA-N 1 2 314.341 2.916 20 30 DFEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346878183 428355741 /nfs/dbraw/zinc/35/57/41/428355741.db2.gz LRXWBYWBCXHQLB-HIFRSBDPSA-N 1 2 314.389 2.650 20 30 DFEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346878183 428355748 /nfs/dbraw/zinc/35/57/48/428355748.db2.gz LRXWBYWBCXHQLB-HIFRSBDPSA-N 1 2 314.389 2.650 20 30 DFEDLO C=CCOCCCC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000371388460 428389323 /nfs/dbraw/zinc/38/93/23/428389323.db2.gz NGCDBZWRUJIKAR-UHFFFAOYSA-N 1 2 313.401 2.686 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)C[C@@H](C)C#N ZINC000371461804 428391859 /nfs/dbraw/zinc/39/18/59/428391859.db2.gz FENKZVIEOPLITF-KBPBESRZSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)C[C@@H](C)C#N ZINC000371461804 428391866 /nfs/dbraw/zinc/39/18/66/428391866.db2.gz FENKZVIEOPLITF-KBPBESRZSA-N 1 2 305.447 2.893 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371472896 428393158 /nfs/dbraw/zinc/39/31/58/428393158.db2.gz IPZBWMPTLVBUJR-AWEZNQCLSA-N 1 2 313.405 2.811 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000371615786 428398454 /nfs/dbraw/zinc/39/84/54/428398454.db2.gz YEVPQXMGQQUKEJ-KBXCAEBGSA-N 1 2 322.412 2.878 20 30 DFEDLO N#CCc1ccc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000342259925 428371054 /nfs/dbraw/zinc/37/10/54/428371054.db2.gz UBNOSOGTSYHYQO-JOCHJYFZSA-N 1 2 309.394 2.849 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378352979 428373350 /nfs/dbraw/zinc/37/33/50/428373350.db2.gz DPCPXLWEGWTPLR-UHFFFAOYSA-N 1 2 316.368 2.529 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371374983 428385104 /nfs/dbraw/zinc/38/51/04/428385104.db2.gz STFAYWZYRPLPLZ-INIZCTEOSA-N 1 2 311.389 2.757 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371374983 428385110 /nfs/dbraw/zinc/38/51/10/428385110.db2.gz STFAYWZYRPLPLZ-INIZCTEOSA-N 1 2 311.389 2.757 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342619356 428435715 /nfs/dbraw/zinc/43/57/15/428435715.db2.gz MPOFYUIDXGDYJG-KFWWJZLASA-N 1 2 320.458 2.514 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342619356 428435719 /nfs/dbraw/zinc/43/57/19/428435719.db2.gz MPOFYUIDXGDYJG-KFWWJZLASA-N 1 2 320.458 2.514 20 30 DFEDLO C=CCCOCCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000342611080 428436502 /nfs/dbraw/zinc/43/65/02/428436502.db2.gz DIGFVOWYJKKPRS-UHFFFAOYSA-N 1 2 323.462 2.833 20 30 DFEDLO C=CCCOCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000342611080 428436511 /nfs/dbraw/zinc/43/65/11/428436511.db2.gz DIGFVOWYJKKPRS-UHFFFAOYSA-N 1 2 323.462 2.833 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H]2CCCCO2)c1C ZINC000342641338 428437236 /nfs/dbraw/zinc/43/72/36/428437236.db2.gz YDPAUFAAGDYHBC-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H]2CCCCO2)c1C ZINC000342641338 428437240 /nfs/dbraw/zinc/43/72/40/428437240.db2.gz YDPAUFAAGDYHBC-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000342783114 428452837 /nfs/dbraw/zinc/45/28/37/428452837.db2.gz HPRBSCGXFWPUCB-LSDHHAIUSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000342783114 428452841 /nfs/dbraw/zinc/45/28/41/428452841.db2.gz HPRBSCGXFWPUCB-LSDHHAIUSA-N 1 2 304.438 2.842 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@](C)(C#N)CC)CC2)s1 ZINC000353265290 428458797 /nfs/dbraw/zinc/45/87/97/428458797.db2.gz XGPPDNJVFIXPFD-KRWDZBQOSA-N 1 2 319.474 2.895 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000342842347 428469261 /nfs/dbraw/zinc/46/92/61/428469261.db2.gz QDFKQKKMEGNNGY-AWEZNQCLSA-N 1 2 321.446 2.747 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000372718834 428493651 /nfs/dbraw/zinc/49/36/51/428493651.db2.gz RKGYFMZVTNOCFR-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H]1c1ccccc1F ZINC000372718834 428493657 /nfs/dbraw/zinc/49/36/57/428493657.db2.gz RKGYFMZVTNOCFR-BBRMVZONSA-N 1 2 303.381 2.581 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000360959390 428511304 /nfs/dbraw/zinc/51/13/04/428511304.db2.gz FOQZFMLHYSCKBR-CRAIPNDOSA-N 1 2 305.385 2.732 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000360959390 428511308 /nfs/dbraw/zinc/51/13/08/428511308.db2.gz FOQZFMLHYSCKBR-CRAIPNDOSA-N 1 2 305.385 2.732 20 30 DFEDLO C=CCCC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000347254540 428513715 /nfs/dbraw/zinc/51/37/15/428513715.db2.gz XSZXRKZUROZWTK-KGLIPLIRSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCCC1(c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000347254540 428513721 /nfs/dbraw/zinc/51/37/21/428513721.db2.gz XSZXRKZUROZWTK-KGLIPLIRSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCCC1(c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000347254541 428514126 /nfs/dbraw/zinc/51/41/26/428514126.db2.gz XSZXRKZUROZWTK-UONOGXRCSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCCC1(c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000347254541 428514129 /nfs/dbraw/zinc/51/41/29/428514129.db2.gz XSZXRKZUROZWTK-UONOGXRCSA-N 1 2 303.406 2.993 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(C#N)c(F)c3)cn21 ZINC000353535196 428580716 /nfs/dbraw/zinc/58/07/16/428580716.db2.gz WPBPHKZEVOQHAZ-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000361626245 428582487 /nfs/dbraw/zinc/58/24/87/428582487.db2.gz XFJNGUBSRSRENH-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@]2(CCCOC2)O1 ZINC000361626245 428582490 /nfs/dbraw/zinc/58/24/90/428582490.db2.gz XFJNGUBSRSRENH-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000373263361 428533644 /nfs/dbraw/zinc/53/36/44/428533644.db2.gz GYTTWQRGLSTCDH-VVLHAWIVSA-N 1 2 317.433 2.664 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000343278258 428542618 /nfs/dbraw/zinc/54/26/18/428542618.db2.gz GZQBKWRWJWBOIO-WMLDXEAASA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000343278258 428542622 /nfs/dbraw/zinc/54/26/22/428542622.db2.gz GZQBKWRWJWBOIO-WMLDXEAASA-N 1 2 314.389 2.507 20 30 DFEDLO C#CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000361235141 428550553 /nfs/dbraw/zinc/55/05/53/428550553.db2.gz XKLTUEVSHARBOK-LSDHHAIUSA-N 1 2 323.799 2.547 20 30 DFEDLO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000361235141 428550558 /nfs/dbraw/zinc/55/05/58/428550558.db2.gz XKLTUEVSHARBOK-LSDHHAIUSA-N 1 2 323.799 2.547 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373338663 428552487 /nfs/dbraw/zinc/55/24/87/428552487.db2.gz GFNJJYLTPQOAGJ-ZDUSSCGKSA-N 1 2 307.463 2.826 20 30 DFEDLO Cn1c(NCc2nc(C#N)cs2)[nH+]c2cccc(Cl)c21 ZINC000357711917 428558807 /nfs/dbraw/zinc/55/88/07/428558807.db2.gz QARNVBFDLASYAM-UHFFFAOYSA-N 1 2 303.778 3.167 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000343736104 428567413 /nfs/dbraw/zinc/56/74/13/428567413.db2.gz RFMKGSBZUWNHPK-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000343736104 428567420 /nfs/dbraw/zinc/56/74/20/428567420.db2.gz RFMKGSBZUWNHPK-UHFFFAOYSA-N 1 2 317.408 2.955 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347619579 428620171 /nfs/dbraw/zinc/62/01/71/428620171.db2.gz ZCFIELWIXYXPJS-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@H](CC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347619579 428620176 /nfs/dbraw/zinc/62/01/76/428620176.db2.gz ZCFIELWIXYXPJS-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO CC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000373804435 428650466 /nfs/dbraw/zinc/65/04/66/428650466.db2.gz IKMHKANSHISFOG-ROUUACIJSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000373804435 428650473 /nfs/dbraw/zinc/65/04/73/428650473.db2.gz IKMHKANSHISFOG-ROUUACIJSA-N 1 2 319.832 2.961 20 30 DFEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2 ZINC000373847932 428652548 /nfs/dbraw/zinc/65/25/48/428652548.db2.gz ASEJAWXHCBBWKO-UHFFFAOYSA-N 1 2 308.385 2.649 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCC(C)(C)CCC#N ZINC000353723303 428676022 /nfs/dbraw/zinc/67/60/22/428676022.db2.gz IJXPGVLIBFBIDX-UHFFFAOYSA-N 1 2 305.426 2.668 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000374352116 428676203 /nfs/dbraw/zinc/67/62/03/428676203.db2.gz OITDFSBUHFYRFF-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000374352116 428676207 /nfs/dbraw/zinc/67/62/07/428676207.db2.gz OITDFSBUHFYRFF-AUUYWEPGSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000374307854 428674017 /nfs/dbraw/zinc/67/40/17/428674017.db2.gz IRDQGQFDLVZYOS-IBGZPJMESA-N 1 2 322.408 2.836 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000374307854 428674021 /nfs/dbraw/zinc/67/40/21/428674021.db2.gz IRDQGQFDLVZYOS-IBGZPJMESA-N 1 2 322.408 2.836 20 30 DFEDLO COc1ccc(C[NH+]2CC(OC)(c3ccccc3)C2)cc1C#N ZINC000362310478 428699401 /nfs/dbraw/zinc/69/94/01/428699401.db2.gz ZVGGDXLSEOSTCJ-UHFFFAOYSA-N 1 2 308.381 2.924 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CC=C(C(F)(F)F)CC3)n2c1 ZINC000353768749 428706336 /nfs/dbraw/zinc/70/63/36/428706336.db2.gz PDCKFUXBMPLYQO-UHFFFAOYSA-N 1 2 306.291 2.900 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CC=C(C(F)(F)F)CC3)n2c1 ZINC000353768749 428706341 /nfs/dbraw/zinc/70/63/41/428706341.db2.gz PDCKFUXBMPLYQO-UHFFFAOYSA-N 1 2 306.291 2.900 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000348351652 428715172 /nfs/dbraw/zinc/71/51/72/428715172.db2.gz FHWPXAAKOGQBCY-AWEZNQCLSA-N 1 2 312.373 2.581 20 30 DFEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nnnn1-c1ccccc1 ZINC000348357957 428717781 /nfs/dbraw/zinc/71/77/81/428717781.db2.gz PSVPNBXSHXWBGH-LBPRGKRZSA-N 1 2 322.347 2.524 20 30 DFEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000348404923 428733382 /nfs/dbraw/zinc/73/33/82/428733382.db2.gz JNNDMNUTCMHIAN-JTQLQIEISA-N 1 2 318.764 2.797 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000358967101 428752496 /nfs/dbraw/zinc/75/24/96/428752496.db2.gz OYPLHXFSEPEZFG-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000358967101 428752501 /nfs/dbraw/zinc/75/25/01/428752501.db2.gz OYPLHXFSEPEZFG-WKPIXPDZSA-N 1 2 323.799 2.890 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCC(C)C ZINC000411189334 428757498 /nfs/dbraw/zinc/75/74/98/428757498.db2.gz GAYLRWIGZGRXMF-CQSZACIVSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCC(C)C ZINC000411189334 428757502 /nfs/dbraw/zinc/75/75/02/428757502.db2.gz GAYLRWIGZGRXMF-CQSZACIVSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)cc1 ZINC000348549567 428783121 /nfs/dbraw/zinc/78/31/21/428783121.db2.gz RWVZZVOCTCRORV-AVBTWRTFSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)cc1 ZINC000348549567 428783125 /nfs/dbraw/zinc/78/31/25/428783125.db2.gz RWVZZVOCTCRORV-AVBTWRTFSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)cc1 ZINC000348549571 428783893 /nfs/dbraw/zinc/78/38/93/428783893.db2.gz RWVZZVOCTCRORV-OXTHUFEASA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)cc1 ZINC000348549571 428783899 /nfs/dbraw/zinc/78/38/99/428783899.db2.gz RWVZZVOCTCRORV-OXTHUFEASA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000353938646 428787706 /nfs/dbraw/zinc/78/77/06/428787706.db2.gz IEHMIXADTMZAHS-QGZVFWFLSA-N 1 2 308.466 2.692 20 30 DFEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000353938646 428787710 /nfs/dbraw/zinc/78/77/10/428787710.db2.gz IEHMIXADTMZAHS-QGZVFWFLSA-N 1 2 308.466 2.692 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411167157 428752001 /nfs/dbraw/zinc/75/20/01/428752001.db2.gz WCMITAAWWNFGBU-AWEZNQCLSA-N 1 2 316.401 2.783 20 30 DFEDLO CC(C)c1nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc[nH+]1 ZINC000374991927 428795570 /nfs/dbraw/zinc/79/55/70/428795570.db2.gz TZNPRHRVWKUWBO-UHFFFAOYSA-N 1 2 318.384 3.474 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000353998285 428809079 /nfs/dbraw/zinc/80/90/79/428809079.db2.gz SLIDNAVTDBVICV-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000353998285 428809081 /nfs/dbraw/zinc/80/90/81/428809081.db2.gz SLIDNAVTDBVICV-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C=CCOc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000359093581 428811753 /nfs/dbraw/zinc/81/17/53/428811753.db2.gz JHVPEQNJQWBYIN-UHFFFAOYSA-N 1 2 321.380 2.758 20 30 DFEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OC ZINC000354026540 428829241 /nfs/dbraw/zinc/82/92/41/428829241.db2.gz VJTAVJQMUQZQIA-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OC ZINC000354026540 428829243 /nfs/dbraw/zinc/82/92/43/428829243.db2.gz VJTAVJQMUQZQIA-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416958327 428830862 /nfs/dbraw/zinc/83/08/62/428830862.db2.gz OXVZRESWQVPZDM-QGZVFWFLSA-N 1 2 306.369 2.883 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375262389 428836522 /nfs/dbraw/zinc/83/65/22/428836522.db2.gz UGSWEKNQQBPEDC-CZUORRHYSA-N 1 2 320.396 2.973 20 30 DFEDLO N#CC1(CC[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CCCCC1 ZINC000411665464 428837011 /nfs/dbraw/zinc/83/70/11/428837011.db2.gz GIAQIBAYCUCIOD-ZDUSSCGKSA-N 1 2 304.394 2.819 20 30 DFEDLO N#CC1(CC[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CCCCC1 ZINC000411665464 428837016 /nfs/dbraw/zinc/83/70/16/428837016.db2.gz GIAQIBAYCUCIOD-ZDUSSCGKSA-N 1 2 304.394 2.819 20 30 DFEDLO C=CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000363440163 428913326 /nfs/dbraw/zinc/91/33/26/428913326.db2.gz TVFRMOAFGCQCIZ-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(OCCCC#N)c1 ZINC000359308957 428913484 /nfs/dbraw/zinc/91/34/84/428913484.db2.gz QLKLNUVBNXGKGX-UHFFFAOYSA-N 1 2 313.405 2.520 20 30 DFEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(OCCCC#N)c1 ZINC000359308957 428913490 /nfs/dbraw/zinc/91/34/90/428913490.db2.gz QLKLNUVBNXGKGX-UHFFFAOYSA-N 1 2 313.405 2.520 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419014912 428926809 /nfs/dbraw/zinc/92/68/09/428926809.db2.gz LHEQWMNCIPZMAC-WBMJQRKESA-N 1 2 323.400 2.630 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC000419014912 428926819 /nfs/dbraw/zinc/92/68/19/428926819.db2.gz LHEQWMNCIPZMAC-WBMJQRKESA-N 1 2 323.400 2.630 20 30 DFEDLO N#Cc1csc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000419223438 428928195 /nfs/dbraw/zinc/92/81/95/428928195.db2.gz CYILVVFZWMBHJW-OLZOCXBDSA-N 1 2 309.460 2.501 20 30 DFEDLO N#Cc1csc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000419223438 428928202 /nfs/dbraw/zinc/92/82/02/428928202.db2.gz CYILVVFZWMBHJW-OLZOCXBDSA-N 1 2 309.460 2.501 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1F ZINC000419280658 428929217 /nfs/dbraw/zinc/92/92/17/428929217.db2.gz PBFPJOXROPIUJM-SFHVURJKSA-N 1 2 323.371 2.807 20 30 DFEDLO N#CCc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000359345539 428932774 /nfs/dbraw/zinc/93/27/74/428932774.db2.gz BSSZTKHICHPUNO-UHFFFAOYSA-N 1 2 305.341 2.722 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000363532017 428936717 /nfs/dbraw/zinc/93/67/17/428936717.db2.gz DISABHIPIGBXFI-CQSZACIVSA-N 1 2 309.373 2.762 20 30 DFEDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000412086349 428947595 /nfs/dbraw/zinc/94/75/95/428947595.db2.gz OLWYKIWPTNKTEQ-DGCLKSJQSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000412086349 428947600 /nfs/dbraw/zinc/94/76/00/428947600.db2.gz OLWYKIWPTNKTEQ-DGCLKSJQSA-N 1 2 323.234 2.914 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C#N)c1)C2 ZINC000354293142 428958474 /nfs/dbraw/zinc/95/84/74/428958474.db2.gz HSIJJKHTVPEVMU-OAHLLOKOSA-N 1 2 322.412 2.826 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C#N)c1)CC2 ZINC000354293142 428958479 /nfs/dbraw/zinc/95/84/79/428958479.db2.gz HSIJJKHTVPEVMU-OAHLLOKOSA-N 1 2 322.412 2.826 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354897069 429017566 /nfs/dbraw/zinc/01/75/66/429017566.db2.gz LVIKDCVUBIYTMI-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354897069 429017569 /nfs/dbraw/zinc/01/75/69/429017569.db2.gz LVIKDCVUBIYTMI-FUHWJXTLSA-N 1 2 316.445 2.873 20 30 DFEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@]23CCOC3)c2ccccc21 ZINC000421022100 428978275 /nfs/dbraw/zinc/97/82/75/428978275.db2.gz PPOYDSRVQYQXKB-LJQANCHMSA-N 1 2 323.396 2.602 20 30 DFEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@]23CCOC3)c2ccccc21 ZINC000421022100 428978280 /nfs/dbraw/zinc/97/82/80/428978280.db2.gz PPOYDSRVQYQXKB-LJQANCHMSA-N 1 2 323.396 2.602 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354438026 428983535 /nfs/dbraw/zinc/98/35/35/428983535.db2.gz KYVZCTGDUZAZJW-CABCVRRESA-N 1 2 319.453 2.543 20 30 DFEDLO Cc1nc(CN2CCC[N@H+](Cc3ccccc3C#N)CC2)oc1C ZINC000375818088 428984654 /nfs/dbraw/zinc/98/46/54/428984654.db2.gz VNOKFMJUZMPXGL-UHFFFAOYSA-N 1 2 324.428 2.871 20 30 DFEDLO Cc1nc(CN2CCC[N@@H+](Cc3ccccc3C#N)CC2)oc1C ZINC000375818088 428984658 /nfs/dbraw/zinc/98/46/58/428984658.db2.gz VNOKFMJUZMPXGL-UHFFFAOYSA-N 1 2 324.428 2.871 20 30 DFEDLO Cc1nc(C[N@@H+]2CCCN(Cc3ccccc3C#N)CC2)oc1C ZINC000375818088 428984663 /nfs/dbraw/zinc/98/46/63/428984663.db2.gz VNOKFMJUZMPXGL-UHFFFAOYSA-N 1 2 324.428 2.871 20 30 DFEDLO Cc1nc(C[N@H+]2CCCN(Cc3ccccc3C#N)CC2)oc1C ZINC000375818088 428984666 /nfs/dbraw/zinc/98/46/66/428984666.db2.gz VNOKFMJUZMPXGL-UHFFFAOYSA-N 1 2 324.428 2.871 20 30 DFEDLO CC[N@H+](Cc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1)C1CC1 ZINC000354462021 428988013 /nfs/dbraw/zinc/98/80/13/428988013.db2.gz GYRSBBUTVRBMBR-KRWDZBQOSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@@H+](Cc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1)C1CC1 ZINC000354462021 428988020 /nfs/dbraw/zinc/98/80/20/428988020.db2.gz GYRSBBUTVRBMBR-KRWDZBQOSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1)C1CC1 ZINC000354462021 428988028 /nfs/dbraw/zinc/98/80/28/428988028.db2.gz GYRSBBUTVRBMBR-KRWDZBQOSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1)C1CC1 ZINC000354462021 428988034 /nfs/dbraw/zinc/98/80/34/428988034.db2.gz GYRSBBUTVRBMBR-KRWDZBQOSA-N 1 2 320.396 2.951 20 30 DFEDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000421397598 428994104 /nfs/dbraw/zinc/99/41/04/428994104.db2.gz DRUOJNPFCZRRJW-UHFFFAOYSA-N 1 2 301.369 2.895 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837104 428994841 /nfs/dbraw/zinc/99/48/41/428994841.db2.gz AYXFJTKOYUAGIN-PBHICJAKSA-N 1 2 315.417 2.815 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837104 428994846 /nfs/dbraw/zinc/99/48/46/428994846.db2.gz AYXFJTKOYUAGIN-PBHICJAKSA-N 1 2 315.417 2.815 20 30 DFEDLO Cc1cc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421558517 429000715 /nfs/dbraw/zinc/00/07/15/429000715.db2.gz MVKDVYLSRWBNPY-CQSZACIVSA-N 1 2 309.369 2.654 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000376336780 429096772 /nfs/dbraw/zinc/09/67/72/429096772.db2.gz NCRXKPSLMYUPSH-MRXNPFEDSA-N 1 2 315.808 2.858 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000376336780 429096777 /nfs/dbraw/zinc/09/67/77/429096777.db2.gz NCRXKPSLMYUPSH-MRXNPFEDSA-N 1 2 315.808 2.858 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452202699 429084973 /nfs/dbraw/zinc/08/49/73/429084973.db2.gz BNESIEYFYATZLF-MEDUHNTESA-N 1 2 314.776 2.692 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000435587449 429151454 /nfs/dbraw/zinc/15/14/54/429151454.db2.gz DEGZUUDDCJFTEA-DYVFJYSZSA-N 1 2 313.401 3.340 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000453601203 429153358 /nfs/dbraw/zinc/15/33/58/429153358.db2.gz TZRPLTFODXTRGL-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000453601203 429153364 /nfs/dbraw/zinc/15/33/64/429153364.db2.gz TZRPLTFODXTRGL-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2cn(CC=C)nn2)cc1Cl ZINC000424176399 429104251 /nfs/dbraw/zinc/10/42/51/429104251.db2.gz XNAFWAZNUGSCFH-UHFFFAOYSA-N 1 2 318.808 2.972 20 30 DFEDLO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000434695749 429105738 /nfs/dbraw/zinc/10/57/38/429105738.db2.gz UFAKWYJBKIIVHB-OKILXGFUSA-N 1 2 321.852 2.753 20 30 DFEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000434695749 429105742 /nfs/dbraw/zinc/10/57/42/429105742.db2.gz UFAKWYJBKIIVHB-OKILXGFUSA-N 1 2 321.852 2.753 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)nn1 ZINC000424298627 429123384 /nfs/dbraw/zinc/12/33/84/429123384.db2.gz STGKFWDDCWVWDE-HNNXBMFYSA-N 1 2 306.797 2.595 20 30 DFEDLO C=C(C)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000454550930 429168467 /nfs/dbraw/zinc/16/84/67/429168467.db2.gz XQFXXTSFKFRXIJ-UHFFFAOYSA-N 1 2 303.406 2.607 20 30 DFEDLO Cc1nc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)ccc1C#N ZINC000488056062 429174973 /nfs/dbraw/zinc/17/49/73/429174973.db2.gz JWERBXMLEURXHJ-OAHLLOKOSA-N 1 2 316.355 3.255 20 30 DFEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)ccc1C#N ZINC000488233454 429179196 /nfs/dbraw/zinc/17/91/96/429179196.db2.gz QWHNYMKGWDXHNE-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)ccc1C#N ZINC000488233454 429179199 /nfs/dbraw/zinc/17/91/99/429179199.db2.gz QWHNYMKGWDXHNE-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331140 429183895 /nfs/dbraw/zinc/18/38/95/429183895.db2.gz XZOAKFQTOGCCBD-HNNXBMFYSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331140 429183900 /nfs/dbraw/zinc/18/39/00/429183900.db2.gz XZOAKFQTOGCCBD-HNNXBMFYSA-N 1 2 311.345 2.500 20 30 DFEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000488587524 429185306 /nfs/dbraw/zinc/18/53/06/429185306.db2.gz ZHZWKPDNSPVQEQ-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C=C(Cl)C[N@H+]1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495282660 429196422 /nfs/dbraw/zinc/19/64/22/429196422.db2.gz WJTKMMGEUGQYJJ-OLZOCXBDSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495282660 429196426 /nfs/dbraw/zinc/19/64/26/429196426.db2.gz WJTKMMGEUGQYJJ-OLZOCXBDSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(CC)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000455566539 429191766 /nfs/dbraw/zinc/19/17/66/429191766.db2.gz YKLIQICDNXYXDW-JXMROGBWSA-N 1 2 313.445 2.993 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000455559437 429192145 /nfs/dbraw/zinc/19/21/45/429192145.db2.gz OGHQVYOAWMKXRK-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO C=CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495463063 429211803 /nfs/dbraw/zinc/21/18/03/429211803.db2.gz DWNQTKLOOFIQRH-UHFFFAOYSA-N 1 2 305.378 2.534 20 30 DFEDLO CCCCNc1cc(N(C)Cc2ccc(C#N)cc2)nc(N)[nH+]1 ZINC000439099813 429215249 /nfs/dbraw/zinc/21/52/49/429215249.db2.gz RBVGSQXSQZVPPR-UHFFFAOYSA-N 1 2 310.405 2.779 20 30 DFEDLO CCCCNc1cc(N(C)Cc2ccc(C#N)cc2)[nH+]c(N)n1 ZINC000439099813 429215254 /nfs/dbraw/zinc/21/52/54/429215254.db2.gz RBVGSQXSQZVPPR-UHFFFAOYSA-N 1 2 310.405 2.779 20 30 DFEDLO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000364513149 429217673 /nfs/dbraw/zinc/21/76/73/429217673.db2.gz ZHAVVKWTYIGFDF-AWEZNQCLSA-N 1 2 317.824 2.929 20 30 DFEDLO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000364513149 429217676 /nfs/dbraw/zinc/21/76/76/429217676.db2.gz ZHAVVKWTYIGFDF-AWEZNQCLSA-N 1 2 317.824 2.929 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000441143440 429229262 /nfs/dbraw/zinc/22/92/62/429229262.db2.gz PETZIGUIISAZCC-OAHLLOKOSA-N 1 2 300.793 2.620 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000441143440 429229267 /nfs/dbraw/zinc/22/92/67/429229267.db2.gz PETZIGUIISAZCC-OAHLLOKOSA-N 1 2 300.793 2.620 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000456009598 429230819 /nfs/dbraw/zinc/23/08/19/429230819.db2.gz TYJIKRZAEAYACA-UHFFFAOYSA-N 1 2 309.373 2.932 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489442497 429242104 /nfs/dbraw/zinc/24/21/04/429242104.db2.gz TYWRKLABIAPASE-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489442497 429242110 /nfs/dbraw/zinc/24/21/10/429242110.db2.gz TYWRKLABIAPASE-CYBMUJFWSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000489491860 429245962 /nfs/dbraw/zinc/24/59/62/429245962.db2.gz CWJXWFCHDPSGDX-ZDUSSCGKSA-N 1 2 304.390 2.641 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000489491860 429245971 /nfs/dbraw/zinc/24/59/71/429245971.db2.gz CWJXWFCHDPSGDX-ZDUSSCGKSA-N 1 2 304.390 2.641 20 30 DFEDLO Cc1cc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425222000 429246273 /nfs/dbraw/zinc/24/62/73/429246273.db2.gz FZDOINMRPHJZSG-CQSZACIVSA-N 1 2 314.433 2.640 20 30 DFEDLO Cc1cc(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c[nH+]1 ZINC000425247708 429251343 /nfs/dbraw/zinc/25/13/43/429251343.db2.gz OYBWLFMYVUYNDW-NVXWUHKLSA-N 1 2 315.323 2.904 20 30 DFEDLO Cc1cc(N2CCC[C@H](CNC(=O)c3ccco3)C2)c(C#N)c[nH+]1 ZINC000425259511 429253212 /nfs/dbraw/zinc/25/32/12/429253212.db2.gz MFGLHAFLMQMWQN-CQSZACIVSA-N 1 2 324.384 2.501 20 30 DFEDLO C=CCOCC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425309104 429260105 /nfs/dbraw/zinc/26/01/05/429260105.db2.gz CQUBPGOFKIIOSP-UHFFFAOYSA-N 1 2 313.401 2.547 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692566 429274548 /nfs/dbraw/zinc/27/45/48/429274548.db2.gz CBFODEAJLGFYOG-PXAZEXFGSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692566 429274552 /nfs/dbraw/zinc/27/45/52/429274552.db2.gz CBFODEAJLGFYOG-PXAZEXFGSA-N 1 2 323.387 2.840 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000444775673 429277285 /nfs/dbraw/zinc/27/72/85/429277285.db2.gz AOPGNBDZUZCGFR-GOSISDBHSA-N 1 2 324.465 2.609 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000444775673 429277289 /nfs/dbraw/zinc/27/72/89/429277289.db2.gz AOPGNBDZUZCGFR-GOSISDBHSA-N 1 2 324.465 2.609 20 30 DFEDLO C[C@H](c1cccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000448907843 429320712 /nfs/dbraw/zinc/32/07/12/429320712.db2.gz HPNILHYSINIBRI-PMUMKWKESA-N 1 2 313.401 2.568 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927636 429321812 /nfs/dbraw/zinc/32/18/12/429321812.db2.gz IWQHGRPKSGXBDO-RDTXWAMCSA-N 1 2 312.417 2.628 20 30 DFEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000448919173 429322198 /nfs/dbraw/zinc/32/21/98/429322198.db2.gz YMQNEXSSAOAKIJ-JKSUJKDBSA-N 1 2 308.466 2.738 20 30 DFEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491095703 429325257 /nfs/dbraw/zinc/32/52/57/429325257.db2.gz MOARDUZMCGVITK-SDQPKGBYSA-N 1 2 303.724 2.706 20 30 DFEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491127035 429327611 /nfs/dbraw/zinc/32/76/11/429327611.db2.gz VGBIYNJDZVEEAG-AWEZNQCLSA-N 1 2 305.740 2.626 20 30 DFEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491127035 429327614 /nfs/dbraw/zinc/32/76/14/429327614.db2.gz VGBIYNJDZVEEAG-AWEZNQCLSA-N 1 2 305.740 2.626 20 30 DFEDLO CCCOC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000365567630 429341570 /nfs/dbraw/zinc/34/15/70/429341570.db2.gz CPNKMCLPBGWNIN-AWEZNQCLSA-N 1 2 316.401 2.743 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000491298072 429345594 /nfs/dbraw/zinc/34/55/94/429345594.db2.gz TUHCBLGIDLEXCL-CVEARBPZSA-N 1 2 310.401 2.798 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446073773 429296337 /nfs/dbraw/zinc/29/63/37/429296337.db2.gz USFCQNCNVQRSON-FRRDWIJNSA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446073773 429296344 /nfs/dbraw/zinc/29/63/44/429296344.db2.gz USFCQNCNVQRSON-FRRDWIJNSA-N 1 2 312.373 2.606 20 30 DFEDLO CC(C)(C)N1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000425439292 429297254 /nfs/dbraw/zinc/29/72/54/429297254.db2.gz BGYBMJXPHTZRGW-IKGGRYGDSA-N 1 2 311.429 2.625 20 30 DFEDLO CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000425439292 429297257 /nfs/dbraw/zinc/29/72/57/429297257.db2.gz BGYBMJXPHTZRGW-IKGGRYGDSA-N 1 2 311.429 2.625 20 30 DFEDLO Cn1cc(C#N)cc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000446114411 429297625 /nfs/dbraw/zinc/29/76/25/429297625.db2.gz RLQABMCCJHCOFK-UHFFFAOYSA-N 1 2 323.331 2.606 20 30 DFEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000446970581 429301690 /nfs/dbraw/zinc/30/16/90/429301690.db2.gz DDBRLBACQCDUQZ-UHFFFAOYSA-N 1 2 320.396 3.475 20 30 DFEDLO Cc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccccn2)nc1 ZINC000447310860 429302292 /nfs/dbraw/zinc/30/22/92/429302292.db2.gz CDRGGKPTLBGTEZ-UHFFFAOYSA-N 1 2 323.400 2.530 20 30 DFEDLO Cc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccccn2)nc1 ZINC000447310860 429302297 /nfs/dbraw/zinc/30/22/97/429302297.db2.gz CDRGGKPTLBGTEZ-UHFFFAOYSA-N 1 2 323.400 2.530 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)c2[nH+]ccn21 ZINC000456440260 429307647 /nfs/dbraw/zinc/30/76/47/429307647.db2.gz YKIDWXVUKCWEOQ-KBMXLJTQSA-N 1 2 308.385 2.778 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000490841875 429308536 /nfs/dbraw/zinc/30/85/36/429308536.db2.gz XHHCFMFASMEOPC-CQSZACIVSA-N 1 2 315.442 2.832 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000490841875 429308542 /nfs/dbraw/zinc/30/85/42/429308542.db2.gz XHHCFMFASMEOPC-CQSZACIVSA-N 1 2 315.442 2.832 20 30 DFEDLO Cc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496292736 429312674 /nfs/dbraw/zinc/31/26/74/429312674.db2.gz KQDRCXAIETTYHY-CQSZACIVSA-N 1 2 316.405 2.755 20 30 DFEDLO Cc1cc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496354633 429313103 /nfs/dbraw/zinc/31/31/03/429313103.db2.gz CADCYRNCQBYFDR-RISCZKNCSA-N 1 2 316.405 2.611 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000448541576 429313534 /nfs/dbraw/zinc/31/35/34/429313534.db2.gz HWKUQACXHYUNSD-UHFFFAOYSA-N 1 2 312.373 2.940 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425516024 429313709 /nfs/dbraw/zinc/31/37/09/429313709.db2.gz RUTJCUGBFZHMQC-HNNXBMFYSA-N 1 2 300.793 2.620 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425516024 429313711 /nfs/dbraw/zinc/31/37/11/429313711.db2.gz RUTJCUGBFZHMQC-HNNXBMFYSA-N 1 2 300.793 2.620 20 30 DFEDLO C#C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000490962873 429317218 /nfs/dbraw/zinc/31/72/18/429317218.db2.gz QEAUUGSBCVDAEA-KRWDZBQOSA-N 1 2 316.449 2.743 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491705013 429394204 /nfs/dbraw/zinc/39/42/04/429394204.db2.gz IJDISMKMWFOCGQ-XHDPSFHLSA-N 1 2 301.777 2.732 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491705013 429394207 /nfs/dbraw/zinc/39/42/07/429394207.db2.gz IJDISMKMWFOCGQ-XHDPSFHLSA-N 1 2 301.777 2.732 20 30 DFEDLO C#CC[NH+](CC#C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000491727023 429397688 /nfs/dbraw/zinc/39/76/88/429397688.db2.gz GZDVTNXPASXQSZ-UHFFFAOYSA-N 1 2 320.392 2.738 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000491765158 429404379 /nfs/dbraw/zinc/40/43/79/429404379.db2.gz BTVRIGFKYCXQPU-KRWDZBQOSA-N 1 2 310.376 2.680 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000491783645 429409046 /nfs/dbraw/zinc/40/90/46/429409046.db2.gz RAOBYYCPPSHHBY-UKRRQHHQSA-N 1 2 305.447 2.548 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000456827211 429353135 /nfs/dbraw/zinc/35/31/35/429353135.db2.gz AXQOKAUJGNXPRZ-KRWDZBQOSA-N 1 2 318.380 2.569 20 30 DFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)C(C)C ZINC000491495347 429365949 /nfs/dbraw/zinc/36/59/49/429365949.db2.gz IOYCLNROCIUYMO-INIZCTEOSA-N 1 2 321.424 2.610 20 30 DFEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)C(C)C ZINC000491495347 429365950 /nfs/dbraw/zinc/36/59/50/429365950.db2.gz IOYCLNROCIUYMO-INIZCTEOSA-N 1 2 321.424 2.610 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OCC)cn1 ZINC000491537313 429371643 /nfs/dbraw/zinc/37/16/43/429371643.db2.gz PMUFXJDBPKLPKV-UHFFFAOYSA-N 1 2 308.381 2.894 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OCC)cn1 ZINC000491537313 429371650 /nfs/dbraw/zinc/37/16/50/429371650.db2.gz PMUFXJDBPKLPKV-UHFFFAOYSA-N 1 2 308.381 2.894 20 30 DFEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(O[C@H]2CCOC2)c1 ZINC000515007434 429373273 /nfs/dbraw/zinc/37/32/73/429373273.db2.gz KWAVJJXKQDCBOM-WBVHZDCISA-N 1 2 313.401 2.696 20 30 DFEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 ZINC000515117740 429374614 /nfs/dbraw/zinc/37/46/14/429374614.db2.gz SBKYQSBVMVFLKT-OAHLLOKOSA-N 1 2 324.775 2.937 20 30 DFEDLO Cn1c(C[NH2+]C[C@@H](C#N)CCC#N)nc2cccc(Cl)c21 ZINC000515539719 429377478 /nfs/dbraw/zinc/37/74/78/429377478.db2.gz GINFXQNNPNHBEN-LLVKDONJSA-N 1 2 301.781 2.760 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491623099 429380048 /nfs/dbraw/zinc/38/00/48/429380048.db2.gz FTWLAGYSXMASTC-CYBMUJFWSA-N 1 2 313.401 2.686 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491623099 429380052 /nfs/dbraw/zinc/38/00/52/429380052.db2.gz FTWLAGYSXMASTC-CYBMUJFWSA-N 1 2 313.401 2.686 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491624106 429380078 /nfs/dbraw/zinc/38/00/78/429380078.db2.gz JKKPGUYRQSTQHP-WMZOPIPTSA-N 1 2 324.428 2.952 20 30 DFEDLO C#CCN(C(=O)NCc1c[nH+]ccc1OC)C1CCCCC1 ZINC000491618008 429380464 /nfs/dbraw/zinc/38/04/64/429380464.db2.gz BWWPRXGIIXQXGE-UHFFFAOYSA-N 1 2 301.390 2.568 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000491641311 429382904 /nfs/dbraw/zinc/38/29/04/429382904.db2.gz PXCBMZYRUOWOAQ-ZDUSSCGKSA-N 1 2 305.447 2.762 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000491641311 429382907 /nfs/dbraw/zinc/38/29/07/429382907.db2.gz PXCBMZYRUOWOAQ-ZDUSSCGKSA-N 1 2 305.447 2.762 20 30 DFEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000366275700 429445365 /nfs/dbraw/zinc/44/53/65/429445365.db2.gz YUTCKVXNYFSYMN-HOTGVXAUSA-N 1 2 312.373 2.510 20 30 DFEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000366275700 429445370 /nfs/dbraw/zinc/44/53/70/429445370.db2.gz YUTCKVXNYFSYMN-HOTGVXAUSA-N 1 2 312.373 2.510 20 30 DFEDLO C=CCC[C@H](NCc1c[nH+]c2ccc(Cl)cn12)C(=O)OCC ZINC000449656198 429471318 /nfs/dbraw/zinc/47/13/18/429471318.db2.gz JPZZYZFTZUCXOB-AWEZNQCLSA-N 1 2 321.808 2.975 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000366507570 429468057 /nfs/dbraw/zinc/46/80/57/429468057.db2.gz URLNGRXQHWFLSK-HNNXBMFYSA-N 1 2 316.792 2.885 20 30 DFEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(F)cc1 ZINC000491807014 429411804 /nfs/dbraw/zinc/41/18/04/429411804.db2.gz SEBZHZXFFAZFML-KRWDZBQOSA-N 1 2 321.355 2.815 20 30 DFEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491812922 429413817 /nfs/dbraw/zinc/41/38/17/429413817.db2.gz PIAUCVUNFUVZFA-LJQANCHMSA-N 1 2 320.392 2.773 20 30 DFEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491812922 429413820 /nfs/dbraw/zinc/41/38/20/429413820.db2.gz PIAUCVUNFUVZFA-LJQANCHMSA-N 1 2 320.392 2.773 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427538 429414576 /nfs/dbraw/zinc/41/45/76/429414576.db2.gz SODHXGVMKDUWOQ-RBUKOAKNSA-N 1 2 310.372 2.858 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427538 429414580 /nfs/dbraw/zinc/41/45/80/429414580.db2.gz SODHXGVMKDUWOQ-RBUKOAKNSA-N 1 2 310.372 2.858 20 30 DFEDLO COc1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)n1 ZINC000366576518 429478506 /nfs/dbraw/zinc/47/85/06/429478506.db2.gz ZTWJSYUICFXIPM-WBVHZDCISA-N 1 2 308.385 2.533 20 30 DFEDLO COc1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)n1 ZINC000366576518 429478513 /nfs/dbraw/zinc/47/85/13/429478513.db2.gz ZTWJSYUICFXIPM-WBVHZDCISA-N 1 2 308.385 2.533 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000492408256 429530742 /nfs/dbraw/zinc/53/07/42/429530742.db2.gz MPOMPNXVELEXOS-YXVBKTCISA-N 1 2 310.357 2.846 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000520483167 429517358 /nfs/dbraw/zinc/51/73/58/429517358.db2.gz GOPHEYGKHOZOGV-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCC1(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000449987367 429550100 /nfs/dbraw/zinc/55/01/00/429550100.db2.gz QCMSWIZAAWZEOU-DLBZAZTESA-N 1 2 320.477 2.692 20 30 DFEDLO C=C1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000521895812 429567433 /nfs/dbraw/zinc/56/74/33/429567433.db2.gz GSJAUXVXEYCSGG-LLVKDONJSA-N 1 2 301.312 2.635 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000522054120 429577358 /nfs/dbraw/zinc/57/73/58/429577358.db2.gz ZQBHVRKBIMZIAB-ZDUSSCGKSA-N 1 2 300.189 2.567 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000492408254 429531406 /nfs/dbraw/zinc/53/14/06/429531406.db2.gz MPOMPNXVELEXOS-MMQHEFTJSA-N 1 2 310.357 2.846 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428679076 429545093 /nfs/dbraw/zinc/54/50/93/429545093.db2.gz JJHFPTOYZIJTFT-UHFFFAOYSA-N 1 2 308.385 2.930 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492830662 429624933 /nfs/dbraw/zinc/62/49/33/429624933.db2.gz DDOGSHFKBYPCRF-FMQWLBJXSA-N 1 2 307.397 2.667 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895118 429638944 /nfs/dbraw/zinc/63/89/44/429638944.db2.gz HRWOJVWAHGJGNG-LJFOUZCWSA-N 1 2 306.369 2.721 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(C#N)c1F)C[C@H](C)O2 ZINC000430278185 429672596 /nfs/dbraw/zinc/67/25/96/429672596.db2.gz PGHIMKRTIIBWRL-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(C#N)c1F)C[C@H](C)O2 ZINC000430278185 429672598 /nfs/dbraw/zinc/67/25/98/429672598.db2.gz PGHIMKRTIIBWRL-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO COc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])ccn1 ZINC000459532911 429699113 /nfs/dbraw/zinc/69/91/13/429699113.db2.gz OILVPYWWCKUXGB-NSHDSACASA-N 1 2 312.329 2.721 20 30 DFEDLO COCc1cccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000459607999 429700582 /nfs/dbraw/zinc/70/05/82/429700582.db2.gz HKBPMOVRLAOAKA-UHFFFAOYSA-N 1 2 308.381 2.968 20 30 DFEDLO C=C(C)CN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000479276312 429720277 /nfs/dbraw/zinc/72/02/77/429720277.db2.gz KHOLMGCEIJUVKL-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO C=C(C)CN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000479276312 429720282 /nfs/dbraw/zinc/72/02/82/429720282.db2.gz KHOLMGCEIJUVKL-UHFFFAOYSA-N 1 2 309.413 2.871 20 30 DFEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000450918957 429728768 /nfs/dbraw/zinc/72/87/68/429728768.db2.gz XEHIOUZFABZINK-HOCLYGCPSA-N 1 2 320.458 2.753 20 30 DFEDLO COC(=O)C[C@](C)([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000450987394 429744641 /nfs/dbraw/zinc/74/46/41/429744641.db2.gz LDYOQUSDLMVQKA-INIZCTEOSA-N 1 2 304.365 2.887 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC#N)CC1 ZINC000527486210 429753058 /nfs/dbraw/zinc/75/30/58/429753058.db2.gz SUCHYSHEDWFCCZ-CYBMUJFWSA-N 1 2 306.431 2.777 20 30 DFEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1Br ZINC000451076415 429764943 /nfs/dbraw/zinc/76/49/43/429764943.db2.gz HOXJEACUJCTBRE-UHFFFAOYSA-N 1 2 310.191 2.691 20 30 DFEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OC)cc1Br ZINC000451076415 429764945 /nfs/dbraw/zinc/76/49/45/429764945.db2.gz HOXJEACUJCTBRE-UHFFFAOYSA-N 1 2 310.191 2.691 20 30 DFEDLO Cc1nc(N(C)C)nc(N[C@H](CCCC#N)c2ccccc2)[nH+]1 ZINC000431497389 429766606 /nfs/dbraw/zinc/76/66/06/429766606.db2.gz VVDBRBKNVAWDLA-OAHLLOKOSA-N 1 2 310.405 3.093 20 30 DFEDLO Cc1nc(N[C@H](CCCC#N)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000431497389 429766610 /nfs/dbraw/zinc/76/66/10/429766610.db2.gz VVDBRBKNVAWDLA-OAHLLOKOSA-N 1 2 310.405 3.093 20 30 DFEDLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000368056346 429775808 /nfs/dbraw/zinc/77/58/08/429775808.db2.gz LGQXBMMKKLSJAK-LLVKDONJSA-N 1 2 324.413 2.661 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368093461 429785318 /nfs/dbraw/zinc/78/53/18/429785318.db2.gz RENDXDVJNJDUQE-CQSZACIVSA-N 1 2 323.400 2.890 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368093461 429785323 /nfs/dbraw/zinc/78/53/23/429785323.db2.gz RENDXDVJNJDUQE-CQSZACIVSA-N 1 2 323.400 2.890 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451190977 429785574 /nfs/dbraw/zinc/78/55/74/429785574.db2.gz QVBDRVQNNBKFKW-OAHLLOKOSA-N 1 2 303.381 2.594 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000451190977 429785577 /nfs/dbraw/zinc/78/55/77/429785577.db2.gz QVBDRVQNNBKFKW-OAHLLOKOSA-N 1 2 303.381 2.594 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccn1 ZINC000451369483 429819236 /nfs/dbraw/zinc/81/92/36/429819236.db2.gz BAEKTNAZWVOBSX-MRXNPFEDSA-N 1 2 322.412 2.849 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000451369483 429819240 /nfs/dbraw/zinc/81/92/40/429819240.db2.gz BAEKTNAZWVOBSX-MRXNPFEDSA-N 1 2 322.412 2.849 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000368341270 429833358 /nfs/dbraw/zinc/83/33/58/429833358.db2.gz XLSNXRKRRKZIPL-OAHLLOKOSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)nc1 ZINC000368341270 429833360 /nfs/dbraw/zinc/83/33/60/429833360.db2.gz XLSNXRKRRKZIPL-OAHLLOKOSA-N 1 2 314.776 2.655 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000528073270 429844054 /nfs/dbraw/zinc/84/40/54/429844054.db2.gz CJMZXHUUFOZOQQ-AWEZNQCLSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000528073270 429844057 /nfs/dbraw/zinc/84/40/57/429844057.db2.gz CJMZXHUUFOZOQQ-AWEZNQCLSA-N 1 2 304.438 2.842 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1C#N ZINC000369117539 429913902 /nfs/dbraw/zinc/91/39/02/429913902.db2.gz QOPZJRNHVOSOFS-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1C#N ZINC000369117539 429913904 /nfs/dbraw/zinc/91/39/04/429913904.db2.gz QOPZJRNHVOSOFS-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369202460 429919588 /nfs/dbraw/zinc/91/95/88/429919588.db2.gz IKZVIPFVTQRVSB-AWEZNQCLSA-N 1 2 304.394 2.616 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)no1 ZINC000369202460 429919590 /nfs/dbraw/zinc/91/95/90/429919590.db2.gz IKZVIPFVTQRVSB-AWEZNQCLSA-N 1 2 304.394 2.616 20 30 DFEDLO C=CCC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000636955673 429959976 /nfs/dbraw/zinc/95/99/76/429959976.db2.gz XUTUXZRJVYTCSD-WBVHZDCISA-N 1 2 310.401 2.815 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573694690 429975539 /nfs/dbraw/zinc/97/55/39/429975539.db2.gz ACHFTXAXUQWFDR-GFCCVEGCSA-N 1 2 311.389 2.921 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573694690 429975541 /nfs/dbraw/zinc/97/55/41/429975541.db2.gz ACHFTXAXUQWFDR-GFCCVEGCSA-N 1 2 311.389 2.921 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1C ZINC000558555260 429977215 /nfs/dbraw/zinc/97/72/15/429977215.db2.gz GWCMTNYVKWGEGR-UHFFFAOYSA-N 1 2 310.401 2.519 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOc4c(F)cccc4C3)n2c1 ZINC000369375360 429933520 /nfs/dbraw/zinc/93/35/20/429933520.db2.gz NTUWTGNMLGASIA-UHFFFAOYSA-N 1 2 322.343 2.740 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000576579380 430107014 /nfs/dbraw/zinc/10/70/14/430107014.db2.gz CYRUZDDTTSEOIC-INIZCTEOSA-N 1 2 323.400 2.565 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000560707574 430063165 /nfs/dbraw/zinc/06/31/65/430063165.db2.gz YIYBVZHFLIQQLS-CYBMUJFWSA-N 1 2 321.384 2.530 20 30 DFEDLO CC(C)(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1c[nH]c[nH+]1 ZINC000561093114 430074676 /nfs/dbraw/zinc/07/46/76/430074676.db2.gz CTGZFOWEZLHEKI-HNNXBMFYSA-N 1 2 308.385 2.753 20 30 DFEDLO C[C@H](NC(=O)C1(C#N)CC(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000532064377 430151217 /nfs/dbraw/zinc/15/12/17/430151217.db2.gz BAZOJEBNQPJFSO-FVRSWCFKSA-N 1 2 308.385 2.989 20 30 DFEDLO CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)c2ccccc21 ZINC000580829827 430154780 /nfs/dbraw/zinc/15/47/80/430154780.db2.gz UMSRNCRHPUPQNU-MRXNPFEDSA-N 1 2 306.369 2.593 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000578428876 430121325 /nfs/dbraw/zinc/12/13/25/430121325.db2.gz MDEZYNFKXPGUIT-HNNXBMFYSA-N 1 2 323.787 3.542 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000531495990 430143444 /nfs/dbraw/zinc/14/34/44/430143444.db2.gz AZINRMVDNRAASE-UHFFFAOYSA-N 1 2 313.361 2.834 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000531495990 430143448 /nfs/dbraw/zinc/14/34/48/430143448.db2.gz AZINRMVDNRAASE-UHFFFAOYSA-N 1 2 313.361 2.834 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000531841559 430149459 /nfs/dbraw/zinc/14/94/59/430149459.db2.gz UXBXVGPZCYCALR-UONOGXRCSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000531841559 430149463 /nfs/dbraw/zinc/14/94/63/430149463.db2.gz UXBXVGPZCYCALR-UONOGXRCSA-N 1 2 317.408 2.753 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC#N)CC1 ZINC000541023003 430183404 /nfs/dbraw/zinc/18/34/04/430183404.db2.gz PFESXBFYAYWXNS-LLVKDONJSA-N 1 2 307.344 2.917 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000564098276 430194129 /nfs/dbraw/zinc/19/41/29/430194129.db2.gz KRRXCFYJTDYPPK-SNVBAGLBSA-N 1 2 318.402 2.525 20 30 DFEDLO C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000564730902 430197483 /nfs/dbraw/zinc/19/74/83/430197483.db2.gz IGDUGXJHEPLKTG-SMDDNHRTSA-N 1 2 302.765 2.869 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)cc(C)c(C(C)=O)c2C)nn1 ZINC000640842883 430270038 /nfs/dbraw/zinc/27/00/38/430270038.db2.gz WGRHEPOBRMVCQP-UHFFFAOYSA-N 1 2 324.428 2.567 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635261553 430240705 /nfs/dbraw/zinc/24/07/05/430240705.db2.gz FJYQOZYPUDLNPZ-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635261553 430240707 /nfs/dbraw/zinc/24/07/07/430240707.db2.gz FJYQOZYPUDLNPZ-KRWDZBQOSA-N 1 2 302.418 2.694 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000568105107 430318442 /nfs/dbraw/zinc/31/84/42/430318442.db2.gz OPYUWPNUSWUDHB-MNOVXSKESA-N 1 2 316.430 2.717 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H]2CCc3c2cccc3Cl)nn1 ZINC000641136248 430339249 /nfs/dbraw/zinc/33/92/49/430339249.db2.gz IIFDMQWOBYZBSS-INIZCTEOSA-N 1 2 300.793 2.580 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2sccc2C#N)CC1(C)C ZINC000583423090 430393334 /nfs/dbraw/zinc/39/33/34/430393334.db2.gz OKDBERBLANYOEB-GFCCVEGCSA-N 1 2 300.387 2.577 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635889420 430405512 /nfs/dbraw/zinc/40/55/12/430405512.db2.gz JVDJJKLVDMTTTJ-XHSDSOJGSA-N 1 2 305.422 2.568 20 30 DFEDLO CC(C)c1ccccc1OCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569248300 430437384 /nfs/dbraw/zinc/43/73/84/430437384.db2.gz KKFFASPHJMOLSK-GOSISDBHSA-N 1 2 317.433 2.539 20 30 DFEDLO C=CCCC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641620081 430430500 /nfs/dbraw/zinc/43/05/00/430430500.db2.gz NLIBVDDWYOPBOJ-UHFFFAOYSA-N 1 2 322.474 2.698 20 30 DFEDLO C=CCCC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641620081 430430503 /nfs/dbraw/zinc/43/05/03/430430503.db2.gz NLIBVDDWYOPBOJ-UHFFFAOYSA-N 1 2 322.474 2.698 20 30 DFEDLO CC#CCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000641825132 430484526 /nfs/dbraw/zinc/48/45/26/430484526.db2.gz WWDQNFPJCXTYKS-OAHLLOKOSA-N 1 2 314.364 2.693 20 30 DFEDLO N#Cc1nc(NCc2ccccc2-n2cc[nH+]c2)sc1Cl ZINC000590582060 430487650 /nfs/dbraw/zinc/48/76/50/430487650.db2.gz RBRONMBLPDSJJF-UHFFFAOYSA-N 1 2 315.789 3.466 20 30 DFEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)cc1I ZINC000569821092 430488613 /nfs/dbraw/zinc/48/86/13/430488613.db2.gz LRYNKLBSIUEGEN-MRVPVSSYSA-N 1 2 318.133 2.680 20 30 DFEDLO C=CCC[C@H](CO)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642271484 430509030 /nfs/dbraw/zinc/50/90/30/430509030.db2.gz VLLUQBXSLZMENS-LLVKDONJSA-N 1 2 300.337 2.989 20 30 DFEDLO N#Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1Cl ZINC000600774106 430533932 /nfs/dbraw/zinc/53/39/32/430533932.db2.gz BUXBTLCEISLIKS-UHFFFAOYSA-N 1 2 301.777 3.458 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981405 430593846 /nfs/dbraw/zinc/59/38/46/430593846.db2.gz MDKAPXDQUSTAGE-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000570981405 430593848 /nfs/dbraw/zinc/59/38/48/430593848.db2.gz MDKAPXDQUSTAGE-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO Cc1cccc(-c2cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000571407558 430627149 /nfs/dbraw/zinc/62/71/49/430627149.db2.gz BOONISVATBXXPG-IBGZPJMESA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000571975476 430663931 /nfs/dbraw/zinc/66/39/31/430663931.db2.gz WMJSVXWGPWBBGC-TVQRCGJNSA-N 1 2 300.749 2.844 20 30 DFEDLO CSc1ccc(Cl)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000555483178 430667480 /nfs/dbraw/zinc/66/74/80/430667480.db2.gz XURBYAPOMSNYSP-CQSZACIVSA-N 1 2 311.838 2.636 20 30 DFEDLO CCN1CCN(c2cccc(Cl)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000556214572 430681057 /nfs/dbraw/zinc/68/10/57/430681057.db2.gz RHZGJLDWVWCKRY-HNNXBMFYSA-N 1 2 315.808 2.818 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000661416382 430707743 /nfs/dbraw/zinc/70/77/43/430707743.db2.gz XTLPVDNOZDTASY-CABCVRRESA-N 1 2 302.422 2.928 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000661506088 430741608 /nfs/dbraw/zinc/74/16/08/430741608.db2.gz FESGECZXUWWGSH-BJJXKVORSA-N 1 2 313.401 2.888 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000661508830 430741997 /nfs/dbraw/zinc/74/19/97/430741997.db2.gz QZLLYKFADCXTPO-NUTKFTJISA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCCCN(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661546860 430754772 /nfs/dbraw/zinc/75/47/72/430754772.db2.gz DVJMPJVSHYEGTE-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651326021 430766256 /nfs/dbraw/zinc/76/62/56/430766256.db2.gz XAXSDUVZVOOHQN-GDBMZVCRSA-N 1 2 312.417 2.968 20 30 DFEDLO C=CC[C@@H]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000651815268 430887246 /nfs/dbraw/zinc/88/72/46/430887246.db2.gz FJYUPZPROLLKOL-QAPCUYQASA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@@H]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000651815268 430887250 /nfs/dbraw/zinc/88/72/50/430887250.db2.gz FJYUPZPROLLKOL-QAPCUYQASA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665386229 430917912 /nfs/dbraw/zinc/91/79/12/430917912.db2.gz RXLFBWOTEYHAHY-HOTGVXAUSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000665944217 431072762 /nfs/dbraw/zinc/07/27/62/431072762.db2.gz IMXCKMBEMYCQIQ-SJORKVTESA-N 1 2 310.401 2.987 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404058 431091250 /nfs/dbraw/zinc/09/12/50/431091250.db2.gz BLZITPAEPYBQRN-CABCVRRESA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404058 431091255 /nfs/dbraw/zinc/09/12/55/431091255.db2.gz BLZITPAEPYBQRN-CABCVRRESA-N 1 2 313.344 2.598 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1ncc(Cl)c(C)c1C#N)C2 ZINC000368429121 279133174 /nfs/dbraw/zinc/13/31/74/279133174.db2.gz LISAWKATRBIPKI-UHFFFAOYSA-N 1 2 301.781 2.749 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(SC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660069967 431257832 /nfs/dbraw/zinc/25/78/32/431257832.db2.gz MLBBLPKPOCDGBZ-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1cccc(SC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660069967 431257842 /nfs/dbraw/zinc/25/78/42/431257842.db2.gz MLBBLPKPOCDGBZ-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000649689198 431235232 /nfs/dbraw/zinc/23/52/32/431235232.db2.gz HGZMFMOARCZNHM-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000649689198 431235237 /nfs/dbraw/zinc/23/52/37/431235237.db2.gz HGZMFMOARCZNHM-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215491 431324705 /nfs/dbraw/zinc/32/47/05/431324705.db2.gz KOKAJVGQLYEQIR-CVEARBPZSA-N 1 2 323.481 2.531 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653269360 431341873 /nfs/dbraw/zinc/34/18/73/431341873.db2.gz KJXFLLRGLGJOOA-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666956067 431425285 /nfs/dbraw/zinc/42/52/85/431425285.db2.gz LJGUISPOEUDONI-ZDUSSCGKSA-N 1 2 313.376 2.869 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666956067 431425290 /nfs/dbraw/zinc/42/52/90/431425290.db2.gz LJGUISPOEUDONI-ZDUSSCGKSA-N 1 2 313.376 2.869 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(OCCC(C)C)CC2)nn1 ZINC000653496876 431402050 /nfs/dbraw/zinc/40/20/50/431402050.db2.gz KLYNJDZFNFNDFV-UHFFFAOYSA-N 1 2 306.454 2.881 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000666901649 431402323 /nfs/dbraw/zinc/40/23/23/431402323.db2.gz JCHUDHWRXDKRAK-SFHVURJKSA-N 1 2 311.385 2.762 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)nn1 ZINC000653585372 431448504 /nfs/dbraw/zinc/44/85/04/431448504.db2.gz NXVQVVMUNTUGLD-KBXCAEBGSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)nn1 ZINC000653585372 431448507 /nfs/dbraw/zinc/44/85/07/431448507.db2.gz NXVQVVMUNTUGLD-KBXCAEBGSA-N 1 2 312.417 2.678 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)nn1 ZINC000653613941 431458688 /nfs/dbraw/zinc/45/86/88/431458688.db2.gz HAERLZVOXKVLGU-AWEZNQCLSA-N 1 2 303.435 2.860 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)nn1 ZINC000653613942 431460729 /nfs/dbraw/zinc/46/07/29/431460729.db2.gz HAERLZVOXKVLGU-CQSZACIVSA-N 1 2 303.435 2.860 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)nn1 ZINC000653556079 431434957 /nfs/dbraw/zinc/43/49/57/431434957.db2.gz MYNUKHVXTBEECS-SFHVURJKSA-N 1 2 312.417 2.898 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)nn1 ZINC000653556079 431434963 /nfs/dbraw/zinc/43/49/63/431434963.db2.gz MYNUKHVXTBEECS-SFHVURJKSA-N 1 2 312.417 2.898 20 30 DFEDLO C=C[C@@H]1CCCCN1c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663851436 431567732 /nfs/dbraw/zinc/56/77/32/431567732.db2.gz AKNFVZLHCXKDEW-LLVKDONJSA-N 1 2 300.410 2.708 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000664144866 431672045 /nfs/dbraw/zinc/67/20/45/431672045.db2.gz PNSQMQTXCDGKHB-HUUCEWRRSA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000664144866 431672051 /nfs/dbraw/zinc/67/20/51/431672051.db2.gz PNSQMQTXCDGKHB-HUUCEWRRSA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660952892 431675417 /nfs/dbraw/zinc/67/54/17/431675417.db2.gz RGHDGCWNPSPXMC-JKSUJKDBSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660952888 431675575 /nfs/dbraw/zinc/67/55/75/431675575.db2.gz RGHDGCWNPSPXMC-CVEARBPZSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CCCCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661034973 431708281 /nfs/dbraw/zinc/70/82/81/431708281.db2.gz DFLQFWFRXYTCSG-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)nn1 ZINC000657462494 431765324 /nfs/dbraw/zinc/76/53/24/431765324.db2.gz UEFNTXTXVKEKJN-MRXNPFEDSA-N 1 2 316.380 2.779 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(SCC)c2)nn1 ZINC000657441362 431752774 /nfs/dbraw/zinc/75/27/74/431752774.db2.gz WAIAUCMKMRKREP-UHFFFAOYSA-N 1 2 303.435 2.651 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)COC ZINC000661241751 431792146 /nfs/dbraw/zinc/79/21/46/431792146.db2.gz FRARGADHSSTOKP-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)COC ZINC000661241751 431792151 /nfs/dbraw/zinc/79/21/51/431792151.db2.gz FRARGADHSSTOKP-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nc2ccccc2s1)[C@@H](C)COC ZINC000661242845 431792657 /nfs/dbraw/zinc/79/26/57/431792657.db2.gz UTIXRXBCRYCKRO-LBPRGKRZSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)[C@@H](C)COC ZINC000661242845 431792663 /nfs/dbraw/zinc/79/26/63/431792663.db2.gz UTIXRXBCRYCKRO-LBPRGKRZSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@@H](C)COC ZINC000661248604 431795572 /nfs/dbraw/zinc/79/55/72/431795572.db2.gz VQVSPCJVSKQKPB-NSHDSACASA-N 1 2 305.378 2.969 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@@H](C)COC ZINC000661248604 431795578 /nfs/dbraw/zinc/79/55/78/431795578.db2.gz VQVSPCJVSKQKPB-NSHDSACASA-N 1 2 305.378 2.969 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)[C@@H](C)COC ZINC000661248657 431795645 /nfs/dbraw/zinc/79/56/45/431795645.db2.gz WSKYMYFORNBKPK-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)[C@@H](C)COC ZINC000661248657 431795653 /nfs/dbraw/zinc/79/56/53/431795653.db2.gz WSKYMYFORNBKPK-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc(OC)c1O ZINC000657568840 431812859 /nfs/dbraw/zinc/81/28/59/431812859.db2.gz LQXIMBQPMITVQM-FZMZJTMJSA-N 1 2 314.389 2.516 20 30 DFEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000661380414 431837967 /nfs/dbraw/zinc/83/79/67/431837967.db2.gz GSZSIAVHCFYTSS-LBPRGKRZSA-N 1 2 308.451 2.888 20 30 DFEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000661380414 431837970 /nfs/dbraw/zinc/83/79/70/431837970.db2.gz GSZSIAVHCFYTSS-LBPRGKRZSA-N 1 2 308.451 2.888 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC000378329306 293497147 /nfs/dbraw/zinc/49/71/47/293497147.db2.gz CPJKVTVBESIBLP-UHFFFAOYSA-N 1 2 307.401 2.666 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000296162152 294424375 /nfs/dbraw/zinc/42/43/75/294424375.db2.gz KOCGXXJMBWJEDK-AWEZNQCLSA-N 1 2 309.373 2.907 20 30 DFEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000158359265 295361990 /nfs/dbraw/zinc/36/19/90/295361990.db2.gz YFLXYSMNZSWIEJ-LBPRGKRZSA-N 1 2 305.341 2.563 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000535206385 301250974 /nfs/dbraw/zinc/25/09/74/301250974.db2.gz MKDINXJUPKBQNN-NEPJUHHUSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000535206385 301250976 /nfs/dbraw/zinc/25/09/76/301250976.db2.gz MKDINXJUPKBQNN-NEPJUHHUSA-N 1 2 304.415 2.671 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000540883705 301372454 /nfs/dbraw/zinc/37/24/54/301372454.db2.gz CVSWXFQOFPTGKA-UHFFFAOYSA-N 1 2 314.776 2.955 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000563066476 302033305 /nfs/dbraw/zinc/03/33/05/302033305.db2.gz QDPXZQJETGRHMU-CYBMUJFWSA-N 1 2 321.446 2.674 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c(C#N)c1C ZINC000563066476 302033307 /nfs/dbraw/zinc/03/33/07/302033307.db2.gz QDPXZQJETGRHMU-CYBMUJFWSA-N 1 2 321.446 2.674 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000563519352 302079413 /nfs/dbraw/zinc/07/94/13/302079413.db2.gz SKGPTIKEYBVKCN-WBVHZDCISA-N 1 2 320.396 2.511 20 30 DFEDLO Cc1cccc(CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000566167065 302265146 /nfs/dbraw/zinc/26/51/46/302265146.db2.gz KQKHNFHTKOLRKP-UHFFFAOYSA-N 1 2 320.440 2.622 20 30 DFEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1ccncc1 ZINC000566243049 302269536 /nfs/dbraw/zinc/26/95/36/302269536.db2.gz RKWPYGYJOUZXHB-MRXNPFEDSA-N 1 2 318.384 2.579 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1ccncc1 ZINC000566243049 302269538 /nfs/dbraw/zinc/26/95/38/302269538.db2.gz RKWPYGYJOUZXHB-MRXNPFEDSA-N 1 2 318.384 2.579 20 30 DFEDLO N#Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccn1 ZINC000566404256 302284433 /nfs/dbraw/zinc/28/44/33/302284433.db2.gz PYTBPRCRWFRGSG-SHTZXODSSA-N 1 2 321.384 2.501 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000566605253 302298137 /nfs/dbraw/zinc/29/81/37/302298137.db2.gz HEBKGKSIAXIKCA-UHFFFAOYSA-N 1 2 313.426 2.904 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2ccc(C#N)cc2)CC1(C)C ZINC000296138829 303000009 /nfs/dbraw/zinc/00/00/09/303000009.db2.gz COPCVMCVLYGFHC-HNNXBMFYSA-N 1 2 323.400 2.584 20 30 DFEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000181023253 316048926 /nfs/dbraw/zinc/04/89/26/316048926.db2.gz AMYXLKJNKPBDDM-UHFFFAOYSA-N 1 2 314.410 2.837 20 30 DFEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000181023253 316048929 /nfs/dbraw/zinc/04/89/29/316048929.db2.gz AMYXLKJNKPBDDM-UHFFFAOYSA-N 1 2 314.410 2.837 20 30 DFEDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C#N)c1 ZINC000182870875 316120770 /nfs/dbraw/zinc/12/07/70/316120770.db2.gz DHZHJIUGTGYCSD-AWEZNQCLSA-N 1 2 308.385 2.963 20 30 DFEDLO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cnn1C ZINC000183343313 316138833 /nfs/dbraw/zinc/13/88/33/316138833.db2.gz UGYKUMDRXOBFDY-NSHDSACASA-N 1 2 322.372 2.501 20 30 DFEDLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000185099974 316180068 /nfs/dbraw/zinc/18/00/68/316180068.db2.gz KTRVLJMTQLXCKG-CYBMUJFWSA-N 1 2 300.387 2.694 20 30 DFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000574820012 318042820 /nfs/dbraw/zinc/04/28/20/318042820.db2.gz MGELTBBXQDBSLP-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000574820012 318042823 /nfs/dbraw/zinc/04/28/23/318042823.db2.gz MGELTBBXQDBSLP-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO Cc1cc(Nc2ncncc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000577949647 318228025 /nfs/dbraw/zinc/22/80/25/318228025.db2.gz YXJNSPNMLSKYDW-ZDUSSCGKSA-N 1 2 308.389 2.596 20 30 DFEDLO Cc1csc(NC(=O)NCc2ccc[nH+]c2N(C)C)c1C#N ZINC000578245356 318248495 /nfs/dbraw/zinc/24/84/95/318248495.db2.gz LYKSJLVFMFVZED-UHFFFAOYSA-N 1 2 315.402 2.711 20 30 DFEDLO CC1(C)C[NH+](CC(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000569352906 332023297 /nfs/dbraw/zinc/02/32/97/332023297.db2.gz IIAKOBZBUMTYJG-UHFFFAOYSA-N 1 2 301.390 2.649 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000518542585 332077556 /nfs/dbraw/zinc/07/75/56/332077556.db2.gz ZZIWTIXWARYWAY-NSHGMRRFSA-N 1 2 321.424 2.903 20 30 DFEDLO Cc1cccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000092821818 332131201 /nfs/dbraw/zinc/13/12/01/332131201.db2.gz CXIRVAQWAFCQNL-FQEVSTJZSA-N 1 2 323.440 2.893 20 30 DFEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000092821818 332131203 /nfs/dbraw/zinc/13/12/03/332131203.db2.gz CXIRVAQWAFCQNL-FQEVSTJZSA-N 1 2 323.440 2.893 20 30 DFEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)cc2c1OCCO2 ZINC000093091342 332133888 /nfs/dbraw/zinc/13/38/88/332133888.db2.gz RHRBKKPVDCKWOO-UHFFFAOYSA-N 1 2 302.374 2.592 20 30 DFEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)cc2c1OCCO2 ZINC000093091342 332133889 /nfs/dbraw/zinc/13/38/89/332133889.db2.gz RHRBKKPVDCKWOO-UHFFFAOYSA-N 1 2 302.374 2.592 20 30 DFEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)cc(OC)c1OC ZINC000093091526 332134017 /nfs/dbraw/zinc/13/40/17/332134017.db2.gz CTYZQTFCBSKMLI-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)cc(OC)c1OC ZINC000093091526 332134018 /nfs/dbraw/zinc/13/40/18/332134018.db2.gz CTYZQTFCBSKMLI-UHFFFAOYSA-N 1 2 304.390 2.838 20 30 DFEDLO Cc1cccnc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000093193694 332135522 /nfs/dbraw/zinc/13/55/22/332135522.db2.gz ZCZTZVYPDDABJF-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC000427077095 332166322 /nfs/dbraw/zinc/16/63/22/332166322.db2.gz LOAZSXQHXXSSDK-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC000427077095 332166325 /nfs/dbraw/zinc/16/63/25/332166325.db2.gz LOAZSXQHXXSSDK-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO C[C@H](C#N)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368088424 332268331 /nfs/dbraw/zinc/26/83/31/332268331.db2.gz FKUFDRVJERGBTQ-HIFRSBDPSA-N 1 2 307.438 2.867 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000184967657 335100580 /nfs/dbraw/zinc/10/05/80/335100580.db2.gz ZQZWGDSXYCBPHP-GJZGRUSLSA-N 1 2 322.474 2.840 20 30 DFEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000157677409 332532033 /nfs/dbraw/zinc/53/20/33/332532033.db2.gz QRDDKENDUYWNNX-UHFFFAOYSA-N 1 2 311.212 2.775 20 30 DFEDLO N#CC1(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CCC1 ZINC000580156348 332967399 /nfs/dbraw/zinc/96/73/99/332967399.db2.gz HRMYRAKZACUJFD-QGZVFWFLSA-N 1 2 307.397 2.873 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000177083129 332970780 /nfs/dbraw/zinc/97/07/80/332970780.db2.gz LWXSNHRZAPZXGL-OAHLLOKOSA-N 1 2 303.793 2.681 20 30 DFEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127700 335115142 /nfs/dbraw/zinc/11/51/42/335115142.db2.gz KFDALDWVSHMOBH-GTJPDFRWSA-N 1 2 317.376 2.756 20 30 DFEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127700 335115143 /nfs/dbraw/zinc/11/51/43/335115143.db2.gz KFDALDWVSHMOBH-GTJPDFRWSA-N 1 2 317.376 2.756 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174692337 333089414 /nfs/dbraw/zinc/08/94/14/333089414.db2.gz OHNZYDHIYDDJOW-AWEZNQCLSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174692337 333089416 /nfs/dbraw/zinc/08/94/16/333089416.db2.gz OHNZYDHIYDDJOW-AWEZNQCLSA-N 1 2 317.408 2.971 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294264921 335120434 /nfs/dbraw/zinc/12/04/34/335120434.db2.gz SHCZZNPKUMLMNH-HOCLYGCPSA-N 1 2 313.401 2.939 20 30 DFEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000294520555 335124081 /nfs/dbraw/zinc/12/40/81/335124081.db2.gz IDHFVFJPQIVJPS-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000185265074 335124186 /nfs/dbraw/zinc/12/41/86/335124186.db2.gz BPJTXRSLYGWQKP-MRXNPFEDSA-N 1 2 315.461 2.975 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1OCCCC#N ZINC000179868208 333156067 /nfs/dbraw/zinc/15/60/67/333156067.db2.gz CMHSJMPTUYLMLG-CQSZACIVSA-N 1 2 304.390 2.598 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1OCCCC#N ZINC000179868208 333156069 /nfs/dbraw/zinc/15/60/69/333156069.db2.gz CMHSJMPTUYLMLG-CQSZACIVSA-N 1 2 304.390 2.598 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063499 333165532 /nfs/dbraw/zinc/16/55/32/333165532.db2.gz DRBBLGPOZKIGSP-NSHDSACASA-N 1 2 311.788 2.671 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063499 333165533 /nfs/dbraw/zinc/16/55/33/333165533.db2.gz DRBBLGPOZKIGSP-NSHDSACASA-N 1 2 311.788 2.671 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000363997276 333217726 /nfs/dbraw/zinc/21/77/26/333217726.db2.gz UJNHZAUFKBXAOY-LBPRGKRZSA-N 1 2 315.392 2.746 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000363997276 333217727 /nfs/dbraw/zinc/21/77/27/333217727.db2.gz UJNHZAUFKBXAOY-LBPRGKRZSA-N 1 2 315.392 2.746 20 30 DFEDLO N#CC1(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)CCC1 ZINC000497219388 333223493 /nfs/dbraw/zinc/22/34/93/333223493.db2.gz GTOLUFCFVUWGHU-UHFFFAOYSA-N 1 2 311.385 2.695 20 30 DFEDLO N#CC1(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)CCC1 ZINC000497219388 333223494 /nfs/dbraw/zinc/22/34/94/333223494.db2.gz GTOLUFCFVUWGHU-UHFFFAOYSA-N 1 2 311.385 2.695 20 30 DFEDLO CCOC(=O)c1csc(CC/[NH+]=C/c2ccccc2O)n1 ZINC000188554020 333248825 /nfs/dbraw/zinc/24/88/25/333248825.db2.gz PBWLZNJDJZBYLG-CXUHLZMHSA-N 1 2 304.371 2.687 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1)C1CC1 ZINC000192239827 333286566 /nfs/dbraw/zinc/28/65/66/333286566.db2.gz ABDIWHOGBCDHKT-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1)C1CC1 ZINC000192239827 333286567 /nfs/dbraw/zinc/28/65/67/333286567.db2.gz ABDIWHOGBCDHKT-KRWDZBQOSA-N 1 2 317.820 2.507 20 30 DFEDLO C#CCOc1ccccc1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000364333298 333289541 /nfs/dbraw/zinc/28/95/41/333289541.db2.gz BABLIHUUADXBGJ-AWEZNQCLSA-N 1 2 324.384 2.594 20 30 DFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCO[C@H]1CCCCO1 ZINC000194715466 333315679 /nfs/dbraw/zinc/31/56/79/333315679.db2.gz NKRBYCFXIGUMAJ-HNNXBMFYSA-N 1 2 312.797 2.715 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000185438539 335133345 /nfs/dbraw/zinc/13/33/45/335133345.db2.gz JEDRMPJLHXFLIP-AWEZNQCLSA-N 1 2 307.463 2.780 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000185438539 335133347 /nfs/dbraw/zinc/13/33/47/335133347.db2.gz JEDRMPJLHXFLIP-AWEZNQCLSA-N 1 2 307.463 2.780 20 30 DFEDLO N#CCC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000365284216 333401637 /nfs/dbraw/zinc/40/16/37/333401637.db2.gz YJMQHEMOKLYMSW-KRWDZBQOSA-N 1 2 303.450 2.793 20 30 DFEDLO Cc1csc([C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000525885965 335139076 /nfs/dbraw/zinc/13/90/76/335139076.db2.gz WEXBIKAOFFYTJW-ZDUSSCGKSA-N 1 2 318.446 2.541 20 30 DFEDLO Cc1csc([C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000525885965 335139077 /nfs/dbraw/zinc/13/90/77/335139077.db2.gz WEXBIKAOFFYTJW-ZDUSSCGKSA-N 1 2 318.446 2.541 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000525886351 335141581 /nfs/dbraw/zinc/14/15/81/335141581.db2.gz DEAQOBACFZTKEW-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000525886351 335141582 /nfs/dbraw/zinc/14/15/82/335141582.db2.gz DEAQOBACFZTKEW-INIZCTEOSA-N 1 2 315.392 2.915 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000296851390 335147024 /nfs/dbraw/zinc/14/70/24/335147024.db2.gz UGRIKEIRRHSVKC-GJZGRUSLSA-N 1 2 315.417 2.746 20 30 DFEDLO Cc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nn1C ZINC000414365287 333945550 /nfs/dbraw/zinc/94/55/50/333945550.db2.gz OIFFVUGWYKEGQZ-UHFFFAOYSA-N 1 2 307.319 2.889 20 30 DFEDLO C=CCOc1ccc(/C=C/c2nc(C[NH2+]C)no2)cc1OC ZINC000414500903 333999154 /nfs/dbraw/zinc/99/91/54/333999154.db2.gz MLYBHIGVUNBQFF-SOFGYWHQSA-N 1 2 301.346 2.533 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269652314 334002761 /nfs/dbraw/zinc/00/27/61/334002761.db2.gz UKRWDZYIAGWLDI-GOEBONIOSA-N 1 2 311.389 2.616 20 30 DFEDLO N#CCN(Cc1c[nH+]c2ccc(Br)cn12)C1CC1 ZINC000271119304 334018863 /nfs/dbraw/zinc/01/88/63/334018863.db2.gz DHPDTCZWKCVECR-UHFFFAOYSA-N 1 2 305.179 2.585 20 30 DFEDLO N#CC1(c2ccc(C(=O)NCc3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000271934165 334028951 /nfs/dbraw/zinc/02/89/51/334028951.db2.gz NBSVZKIIHGAPSC-UHFFFAOYSA-N 1 2 320.396 2.705 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000272501103 334035812 /nfs/dbraw/zinc/03/58/12/334035812.db2.gz DRXUOBOWGUZUBQ-UHFFFAOYSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000273171013 334043998 /nfs/dbraw/zinc/04/39/98/334043998.db2.gz DSSRMUSXXORLKZ-IRXDYDNUSA-N 1 2 323.400 2.715 20 30 DFEDLO Cc1cnc([C@@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)s1 ZINC000273181469 334044291 /nfs/dbraw/zinc/04/42/91/334044291.db2.gz HBSJCDNPIQRDAS-UVSFYCKTSA-N 1 2 305.403 2.575 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000273326678 334045437 /nfs/dbraw/zinc/04/54/37/334045437.db2.gz IEQWRDPBWMTNMC-NNLQFVHNSA-N 1 2 320.389 2.774 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000273813857 334051677 /nfs/dbraw/zinc/05/16/77/334051677.db2.gz BNAUBNCMUGGQSH-SNVBAGLBSA-N 1 2 313.195 2.945 20 30 DFEDLO Cc1nc(C)c(CO[NH+]=C(N)COc2ccccc2F)s1 ZINC000275485066 334071469 /nfs/dbraw/zinc/07/14/69/334071469.db2.gz NWMDKADETNWRLE-UHFFFAOYSA-N 1 2 309.366 2.767 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000275704016 334072833 /nfs/dbraw/zinc/07/28/33/334072833.db2.gz QTZBDLGTLUVGDG-CYBMUJFWSA-N 1 2 306.431 2.777 20 30 DFEDLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCCCC#N)[nH+]cn1 ZINC000275861221 334073455 /nfs/dbraw/zinc/07/34/55/334073455.db2.gz ZEVOSXXXUMDYGL-CJNGLKHVSA-N 1 2 303.410 2.808 20 30 DFEDLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCCCC#N)nc[nH+]1 ZINC000275861221 334073456 /nfs/dbraw/zinc/07/34/56/334073456.db2.gz ZEVOSXXXUMDYGL-CJNGLKHVSA-N 1 2 303.410 2.808 20 30 DFEDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000276340413 334075733 /nfs/dbraw/zinc/07/57/33/334075733.db2.gz GAEZCUOWVXNVIB-ZDUSSCGKSA-N 1 2 302.374 2.505 20 30 DFEDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000276340413 334075735 /nfs/dbraw/zinc/07/57/35/334075735.db2.gz GAEZCUOWVXNVIB-ZDUSSCGKSA-N 1 2 302.374 2.505 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C1=O ZINC000343601019 335176113 /nfs/dbraw/zinc/17/61/13/335176113.db2.gz JSVHXAADVWODHD-CQSZACIVSA-N 1 2 305.447 2.629 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C1=O ZINC000343601019 335176114 /nfs/dbraw/zinc/17/61/14/335176114.db2.gz JSVHXAADVWODHD-CQSZACIVSA-N 1 2 305.447 2.629 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278810222 334101742 /nfs/dbraw/zinc/10/17/42/334101742.db2.gz HJBRZJJGHKAKFJ-ZIAGYGMSSA-N 1 2 302.353 2.507 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278810222 334101743 /nfs/dbraw/zinc/10/17/43/334101743.db2.gz HJBRZJJGHKAKFJ-ZIAGYGMSSA-N 1 2 302.353 2.507 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccccc1SC ZINC000280449720 334117423 /nfs/dbraw/zinc/11/74/23/334117423.db2.gz NMXWJDWBJMVFPN-UHFFFAOYSA-N 1 2 305.447 2.602 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000280449720 334117424 /nfs/dbraw/zinc/11/74/24/334117424.db2.gz NMXWJDWBJMVFPN-UHFFFAOYSA-N 1 2 305.447 2.602 20 30 DFEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCCC#N ZINC000281605060 334127440 /nfs/dbraw/zinc/12/74/40/334127440.db2.gz KFHQCTLFYBJIJX-CQSZACIVSA-N 1 2 303.410 2.833 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(CC#N)cc3)cn2c1 ZINC000340100673 334127518 /nfs/dbraw/zinc/12/75/18/334127518.db2.gz KXGWSVFYAUJNOX-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO N#CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccn1 ZINC000281912319 334129464 /nfs/dbraw/zinc/12/94/64/334129464.db2.gz GPFRPLGXPWVMDV-UHFFFAOYSA-N 1 2 312.417 2.898 20 30 DFEDLO N#CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccn1 ZINC000281912319 334129465 /nfs/dbraw/zinc/12/94/65/334129465.db2.gz GPFRPLGXPWVMDV-UHFFFAOYSA-N 1 2 312.417 2.898 20 30 DFEDLO N#CC1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000282640021 334136139 /nfs/dbraw/zinc/13/61/39/334136139.db2.gz IHCNYAVPCQOQNA-UHFFFAOYSA-N 1 2 308.385 2.932 20 30 DFEDLO CC(C)(C)OC(=O)c1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000283924607 334141823 /nfs/dbraw/zinc/14/18/23/334141823.db2.gz DYDICVDBTQTLKL-CQSZACIVSA-N 1 2 320.389 2.610 20 30 DFEDLO NC(=[NH+]OCc1cccc(OCC(F)(F)F)c1)[C@H]1CCCO1 ZINC000284577608 334143914 /nfs/dbraw/zinc/14/39/14/334143914.db2.gz XGRZFLKOAPUJFT-GFCCVEGCSA-N 1 2 318.295 2.596 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000292112360 334184660 /nfs/dbraw/zinc/18/46/60/334184660.db2.gz HHDSDMVWPWWIRF-KRWDZBQOSA-N 1 2 310.397 2.981 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000292112360 334184662 /nfs/dbraw/zinc/18/46/62/334184662.db2.gz HHDSDMVWPWWIRF-KRWDZBQOSA-N 1 2 310.397 2.981 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000292640900 334190061 /nfs/dbraw/zinc/19/00/61/334190061.db2.gz OROQFENTLQIYJJ-HNNXBMFYSA-N 1 2 316.792 2.973 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353204918 334195113 /nfs/dbraw/zinc/19/51/13/334195113.db2.gz SXBTYQODUWTSFR-CABCVRRESA-N 1 2 311.372 2.884 20 30 DFEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353204918 334195114 /nfs/dbraw/zinc/19/51/14/334195114.db2.gz SXBTYQODUWTSFR-CABCVRRESA-N 1 2 311.372 2.884 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000294239831 334207276 /nfs/dbraw/zinc/20/72/76/334207276.db2.gz PASGTSSEUXSDHY-ZDUSSCGKSA-N 1 2 307.825 2.958 20 30 DFEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC12CCCC2 ZINC000294458188 334210007 /nfs/dbraw/zinc/21/00/07/334210007.db2.gz NTDJQUPPLFBWAR-LJQANCHMSA-N 1 2 324.428 2.772 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cccc(CC#N)c2)CC1(C)C ZINC000295867725 334228176 /nfs/dbraw/zinc/22/81/76/334228176.db2.gz LDJGAQQCAUYXIP-OAHLLOKOSA-N 1 2 308.385 2.709 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000298442843 334248897 /nfs/dbraw/zinc/24/88/97/334248897.db2.gz MWKGECAYIVKNAA-IHRRRGAJSA-N 1 2 315.421 2.595 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000298705869 334250906 /nfs/dbraw/zinc/25/09/06/334250906.db2.gz GLEOKYBMXLDMGQ-QWHCGFSZSA-N 1 2 305.447 2.675 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000298705869 334250907 /nfs/dbraw/zinc/25/09/07/334250907.db2.gz GLEOKYBMXLDMGQ-QWHCGFSZSA-N 1 2 305.447 2.675 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2cccc(CC#N)c2)c[nH+]1 ZINC000298808724 334251661 /nfs/dbraw/zinc/25/16/61/334251661.db2.gz NWRUZYAPSMIACL-UHFFFAOYSA-N 1 2 322.412 2.924 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000299226201 334254074 /nfs/dbraw/zinc/25/40/74/334254074.db2.gz NOSJPFOENMRKNM-DGCLKSJQSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000299226201 334254076 /nfs/dbraw/zinc/25/40/76/334254076.db2.gz NOSJPFOENMRKNM-DGCLKSJQSA-N 1 2 316.323 2.537 20 30 DFEDLO CCOc1cccc(/C=[NH+]/C2CCC(NC(C)=O)CC2)c1O ZINC000299691685 334257207 /nfs/dbraw/zinc/25/72/07/334257207.db2.gz ZCNOCSZHUILZGI-WOJGMQOQSA-N 1 2 304.390 2.657 20 30 DFEDLO C#CC[N@@H+](CN1CCSC1=S)[C@@H]1CCc2ccccc21 ZINC000049320259 334325497 /nfs/dbraw/zinc/32/54/97/334325497.db2.gz YMDRZFRCJXNPOT-OAHLLOKOSA-N 1 2 302.468 2.900 20 30 DFEDLO C#CC[N@H+](CN1CCSC1=S)[C@@H]1CCc2ccccc21 ZINC000049320259 334325498 /nfs/dbraw/zinc/32/54/98/334325498.db2.gz YMDRZFRCJXNPOT-OAHLLOKOSA-N 1 2 302.468 2.900 20 30 DFEDLO C=CCOc1cccnc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000341536934 334455848 /nfs/dbraw/zinc/45/58/48/334455848.db2.gz RVIFVLLSOGTZNG-UHFFFAOYSA-N 1 2 322.368 2.533 20 30 DFEDLO CCCCc1noc([C@@H](C)[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000342005672 334500614 /nfs/dbraw/zinc/50/06/14/334500614.db2.gz ZKRSYGMHWUCPQQ-CYBMUJFWSA-N 1 2 306.410 2.725 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000341988651 334503327 /nfs/dbraw/zinc/50/33/27/334503327.db2.gz JPLLRHAWPVKXFM-UHFFFAOYSA-N 1 2 318.402 2.550 20 30 DFEDLO C=C1CC[NH+](CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000341992738 334503896 /nfs/dbraw/zinc/50/38/96/334503896.db2.gz COTQBGCHECHVSR-IBGZPJMESA-N 1 2 314.429 2.915 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000428043571 334712523 /nfs/dbraw/zinc/71/25/23/334712523.db2.gz QAWOSZVBCPKRGX-SFHVURJKSA-N 1 2 314.429 2.700 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1scnc1C)CCC2 ZINC000328722364 334748266 /nfs/dbraw/zinc/74/82/66/334748266.db2.gz RWKKKBGTPKBGNT-LBPRGKRZSA-N 1 2 319.434 2.538 20 30 DFEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C[C@@H](C)O1 ZINC000328928898 334769030 /nfs/dbraw/zinc/76/90/30/334769030.db2.gz YFSGGLAPFUBDTG-KBUPBQIOSA-N 1 2 324.465 2.836 20 30 DFEDLO COC(C)(C)C[C@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330401352 334778235 /nfs/dbraw/zinc/77/82/35/334778235.db2.gz OGLQZUZBKYEDGZ-JSGCOSHPSA-N 1 2 322.453 2.776 20 30 DFEDLO Cc1[nH]c(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000331310108 334852942 /nfs/dbraw/zinc/85/29/42/334852942.db2.gz YQTFJYJFBYUHJZ-CABZTGNLSA-N 1 2 305.300 2.506 20 30 DFEDLO N#CCc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000343757171 335191054 /nfs/dbraw/zinc/19/10/54/335191054.db2.gz NJGIUBAJLQRQAB-MRXNPFEDSA-N 1 2 302.324 2.854 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1c(F)cccc1F ZINC000345134894 335300442 /nfs/dbraw/zinc/30/04/42/335300442.db2.gz QCNSXCNZVYKJNB-MNOVXSKESA-N 1 2 307.344 2.566 20 30 DFEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345147706 335301500 /nfs/dbraw/zinc/30/15/00/335301500.db2.gz WIJWESFUWBDSRB-PBHICJAKSA-N 1 2 323.396 2.910 20 30 DFEDLO N#C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1c1ccccc1 ZINC000346416583 335409533 /nfs/dbraw/zinc/40/95/33/335409533.db2.gz ZRLSYFWJLUDKQB-IAGOWNOFSA-N 1 2 316.364 2.714 20 30 DFEDLO C#CCNC(=O)c1ccccc1NCc1cn2cccc(C)c2[nH+]1 ZINC000102886791 335931116 /nfs/dbraw/zinc/93/11/16/335931116.db2.gz NVSSIRYRWVQKEX-UHFFFAOYSA-N 1 2 318.380 2.618 20 30 DFEDLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329223405 335952818 /nfs/dbraw/zinc/95/28/18/335952818.db2.gz XZOZIUDYVCLRPC-TUKIKUTGSA-N 1 2 316.405 2.837 20 30 DFEDLO O=C(CN1CCn2cc[nH+]c2C1)NC1(c2ccccc2)CCC1 ZINC000329317538 335963304 /nfs/dbraw/zinc/96/33/04/335963304.db2.gz HXYDMZCZZOVSNB-UHFFFAOYSA-N 1 2 310.401 2.735 20 30 DFEDLO C[C@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000329340411 335966123 /nfs/dbraw/zinc/96/61/23/335966123.db2.gz OGBMEYYYHBHGKR-KRWDZBQOSA-N 1 2 303.406 2.824 20 30 DFEDLO CC[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329413095 335973517 /nfs/dbraw/zinc/97/35/17/335973517.db2.gz CMJWIMWTNDNDJZ-HIFRSBDPSA-N 1 2 320.437 2.534 20 30 DFEDLO Cc1csc([C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000329472031 335980928 /nfs/dbraw/zinc/98/09/28/335980928.db2.gz ZIZAHFZOGRVPPP-PWSUYJOCSA-N 1 2 304.419 2.971 20 30 DFEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@@H]1CCCCO1 ZINC000329481307 335982395 /nfs/dbraw/zinc/98/23/95/335982395.db2.gz RCKXCVOYEHAFDV-MJBXVCDLSA-N 1 2 306.410 2.808 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329636551 336020848 /nfs/dbraw/zinc/02/08/48/336020848.db2.gz YEKIQVQRWMKVII-HKGGGCDWSA-N 1 2 314.433 2.692 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329636551 336020849 /nfs/dbraw/zinc/02/08/49/336020849.db2.gz YEKIQVQRWMKVII-HKGGGCDWSA-N 1 2 314.433 2.692 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCSC1)C2 ZINC000329659472 336029435 /nfs/dbraw/zinc/02/94/35/336029435.db2.gz NUNYIVQZZNCFEF-NWDGAFQWSA-N 1 2 322.478 2.505 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCSC1)C2 ZINC000329659472 336029438 /nfs/dbraw/zinc/02/94/38/336029438.db2.gz NUNYIVQZZNCFEF-NWDGAFQWSA-N 1 2 322.478 2.505 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)C1CC1 ZINC000329668064 336034501 /nfs/dbraw/zinc/03/45/01/336034501.db2.gz LQRJXMBTQWZGQO-SJLPKXTDSA-N 1 2 319.449 2.916 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1)C1CC1 ZINC000329668064 336034502 /nfs/dbraw/zinc/03/45/02/336034502.db2.gz LQRJXMBTQWZGQO-SJLPKXTDSA-N 1 2 319.449 2.916 20 30 DFEDLO CC#CCCCC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000351490257 336037983 /nfs/dbraw/zinc/03/79/83/336037983.db2.gz FRUJGSGEVHTAKN-HUUCEWRRSA-N 1 2 322.449 2.970 20 30 DFEDLO CC#CCCCC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000351490257 336037984 /nfs/dbraw/zinc/03/79/84/336037984.db2.gz FRUJGSGEVHTAKN-HUUCEWRRSA-N 1 2 322.449 2.970 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000351520302 336039888 /nfs/dbraw/zinc/03/98/88/336039888.db2.gz XDNKNJHNAUFVIV-OAQYLSRUSA-N 1 2 304.459 2.831 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000351520302 336039889 /nfs/dbraw/zinc/03/98/89/336039889.db2.gz XDNKNJHNAUFVIV-OAQYLSRUSA-N 1 2 304.459 2.831 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCCS1 ZINC000329748731 336076831 /nfs/dbraw/zinc/07/68/31/336076831.db2.gz GZXAVMGRUWNJPX-GJZGRUSLSA-N 1 2 322.478 2.856 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 ZINC000329770023 336079804 /nfs/dbraw/zinc/07/98/04/336079804.db2.gz FRWFWFRVUMNBDN-WCQYABFASA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 ZINC000329770023 336079805 /nfs/dbraw/zinc/07/98/05/336079805.db2.gz FRWFWFRVUMNBDN-WCQYABFASA-N 1 2 309.435 2.929 20 30 DFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000329776039 336080625 /nfs/dbraw/zinc/08/06/25/336080625.db2.gz NQENVNMXOATYSQ-BHYGNILZSA-N 1 2 318.417 2.582 20 30 DFEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000329776039 336080626 /nfs/dbraw/zinc/08/06/26/336080626.db2.gz NQENVNMXOATYSQ-BHYGNILZSA-N 1 2 318.417 2.582 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329801917 336083631 /nfs/dbraw/zinc/08/36/31/336083631.db2.gz YXPAUHCCVDQSEB-CQSZACIVSA-N 1 2 320.437 2.516 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000329801917 336083632 /nfs/dbraw/zinc/08/36/32/336083632.db2.gz YXPAUHCCVDQSEB-CQSZACIVSA-N 1 2 320.437 2.516 20 30 DFEDLO CC(C)[C@H](C(=O)N[C@H]1CCc2cn[nH]c2C1)[NH+]1CCCCC1 ZINC000329846056 336088902 /nfs/dbraw/zinc/08/89/02/336088902.db2.gz MBGDLURWKZNYSI-GOEBONIOSA-N 1 2 304.438 2.734 20 30 DFEDLO Cc1ncoc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329965824 336100782 /nfs/dbraw/zinc/10/07/82/336100782.db2.gz RJJQDTBBGXOGJE-NSHDSACASA-N 1 2 302.378 2.797 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCSCC[C@H]1C)CCC2 ZINC000330056469 336109856 /nfs/dbraw/zinc/10/98/56/336109856.db2.gz VXKNJFVRJYOSJU-KGLIPLIRSA-N 1 2 322.478 2.810 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330069786 336110867 /nfs/dbraw/zinc/11/08/67/336110867.db2.gz HMOZTIYAKDGIGI-WXQHOCMDSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330069786 336110868 /nfs/dbraw/zinc/11/08/68/336110868.db2.gz HMOZTIYAKDGIGI-WXQHOCMDSA-N 1 2 324.465 2.647 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000330098227 336113355 /nfs/dbraw/zinc/11/33/55/336113355.db2.gz BNYRJLYQTAWLRP-RHSMWYFYSA-N 1 2 310.438 2.546 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000330098227 336113356 /nfs/dbraw/zinc/11/33/56/336113356.db2.gz BNYRJLYQTAWLRP-RHSMWYFYSA-N 1 2 310.438 2.546 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCOC(C)(C)[C@@H]3C)ccc2[nH+]1 ZINC000330131085 336116347 /nfs/dbraw/zinc/11/63/47/336116347.db2.gz PMQFDHORIKCGGR-LBPRGKRZSA-N 1 2 302.378 2.688 20 30 DFEDLO CCc1nnc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)[nH]1 ZINC000330141622 336117465 /nfs/dbraw/zinc/11/74/65/336117465.db2.gz XUSUCNSSRXEWEP-UHFFFAOYSA-N 1 2 319.453 2.836 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000330141622 336117467 /nfs/dbraw/zinc/11/74/67/336117467.db2.gz XUSUCNSSRXEWEP-UHFFFAOYSA-N 1 2 319.453 2.836 20 30 DFEDLO CCc1nc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n[nH]1 ZINC000330141622 336117469 /nfs/dbraw/zinc/11/74/69/336117469.db2.gz XUSUCNSSRXEWEP-UHFFFAOYSA-N 1 2 319.453 2.836 20 30 DFEDLO CC(C)[C@@H]1N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC12CCC2 ZINC000330162985 336119548 /nfs/dbraw/zinc/11/95/48/336119548.db2.gz APSNXTQKTADEOF-ZFWWWQNUSA-N 1 2 302.422 2.622 20 30 DFEDLO CC(C)[C@@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC12CCC2 ZINC000330162985 336119549 /nfs/dbraw/zinc/11/95/49/336119549.db2.gz APSNXTQKTADEOF-ZFWWWQNUSA-N 1 2 302.422 2.622 20 30 DFEDLO [O-]C(NC1C2CC3CC(C2)CC1C3)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330227681 336127106 /nfs/dbraw/zinc/12/71/06/336127106.db2.gz CCXZZOZDOBOPAD-RWUOKQAASA-N 1 2 314.433 2.526 20 30 DFEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1C2CC3CC(C2)CC1C3 ZINC000330227681 336127108 /nfs/dbraw/zinc/12/71/08/336127108.db2.gz CCXZZOZDOBOPAD-RWUOKQAASA-N 1 2 314.433 2.526 20 30 DFEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330248449 336129742 /nfs/dbraw/zinc/12/97/42/336129742.db2.gz ZJBPKYXYYQBOHB-CQSZACIVSA-N 1 2 322.430 2.613 20 30 DFEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330248449 336129744 /nfs/dbraw/zinc/12/97/44/336129744.db2.gz ZJBPKYXYYQBOHB-CQSZACIVSA-N 1 2 322.430 2.613 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2ccsc2)CCO1 ZINC000330282148 336133219 /nfs/dbraw/zinc/13/32/19/336133219.db2.gz AKJANKOWJVSOKA-OCCSQVGLSA-N 1 2 305.403 2.901 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000331466138 336136846 /nfs/dbraw/zinc/13/68/46/336136846.db2.gz LKHUTJWPCNUQGP-ZFWWWQNUSA-N 1 2 309.373 2.901 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000332167753 336161272 /nfs/dbraw/zinc/16/12/72/336161272.db2.gz KIXSDVOURQBEDL-XHDPSFHLSA-N 1 2 301.781 2.703 20 30 DFEDLO Cc1sc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C#N)nc(=O)c2c1C ZINC000332288293 336166601 /nfs/dbraw/zinc/16/66/01/336166601.db2.gz ZERZLLPJXWNOEG-QWRGUYRKSA-N 1 2 302.403 2.796 20 30 DFEDLO CCN1CCN(C(=O)N[C@H]2CC[C@H](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330334670 336167916 /nfs/dbraw/zinc/16/79/16/336167916.db2.gz QVAAFNBHKROZSS-RBSFLKMASA-N 1 2 319.453 2.581 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000351990214 336186349 /nfs/dbraw/zinc/18/63/49/336186349.db2.gz ZEHVFBGPZUYQPQ-LSDHHAIUSA-N 1 2 323.412 2.710 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000351990214 336186351 /nfs/dbraw/zinc/18/63/51/336186351.db2.gz ZEHVFBGPZUYQPQ-LSDHHAIUSA-N 1 2 323.412 2.710 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352179661 336199479 /nfs/dbraw/zinc/19/94/79/336199479.db2.gz ADJQPRALIOTAAY-QGZVFWFLSA-N 1 2 310.401 2.904 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482027 336221341 /nfs/dbraw/zinc/22/13/41/336221341.db2.gz GKVMDIVCXJCDTL-OAHLLOKOSA-N 1 2 317.408 2.670 20 30 DFEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352481996 336221352 /nfs/dbraw/zinc/22/13/52/336221352.db2.gz GFBRHTCLAYSOMP-HUUCEWRRSA-N 1 2 317.408 2.888 20 30 DFEDLO C=CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000352550736 336224214 /nfs/dbraw/zinc/22/42/14/336224214.db2.gz QCMATMDKFRJQSY-MJSXRHKHSA-N 1 2 309.406 2.514 20 30 DFEDLO C=CC[N@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000352550736 336224215 /nfs/dbraw/zinc/22/42/15/336224215.db2.gz QCMATMDKFRJQSY-MJSXRHKHSA-N 1 2 309.406 2.514 20 30 DFEDLO CC1CC(C#N)(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000532326923 336241482 /nfs/dbraw/zinc/24/14/82/336241482.db2.gz ZDUFURJOEWEIBN-XYEKJYRLSA-N 1 2 314.433 2.551 20 30 DFEDLO C=CCN(Cc1[nH+]ccn1CC(F)(F)F)CC(F)(F)F ZINC000112348087 336399328 /nfs/dbraw/zinc/39/93/28/336399328.db2.gz ULWXFSARIURPRU-UHFFFAOYSA-N 1 2 301.234 2.996 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000355336883 336504572 /nfs/dbraw/zinc/50/45/72/336504572.db2.gz RMRQZCWTRZJVHO-ZDUSSCGKSA-N 1 2 310.401 2.886 20 30 DFEDLO N#CC[C@H](CC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000355547309 336513781 /nfs/dbraw/zinc/51/37/81/336513781.db2.gz RINBUYWMMFMPRW-MRXNPFEDSA-N 1 2 322.412 2.923 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000357653989 336593449 /nfs/dbraw/zinc/59/34/49/336593449.db2.gz KCQNTBGWOQIHLM-GFCCVEGCSA-N 1 2 319.361 2.604 20 30 DFEDLO C=CCCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000359055314 336655508 /nfs/dbraw/zinc/65/55/08/336655508.db2.gz MXEQSSVHYQOLGQ-GOSISDBHSA-N 1 2 316.445 2.841 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000114723725 336664330 /nfs/dbraw/zinc/66/43/30/336664330.db2.gz CRVBBGQOLUSFRL-UHFFFAOYSA-N 1 2 324.808 2.970 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(F)(C#N)CC1 ZINC000359360784 336669352 /nfs/dbraw/zinc/66/93/52/336669352.db2.gz MXXIKAQHYYQKEN-UHFFFAOYSA-N 1 2 314.364 2.589 20 30 DFEDLO CCCN(CC#N)C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369854709 336873201 /nfs/dbraw/zinc/87/32/01/336873201.db2.gz ZMZMNAYUKMMMGE-INIZCTEOSA-N 1 2 322.412 2.875 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000371042280 336893468 /nfs/dbraw/zinc/89/34/68/336893468.db2.gz IMXYYGSNMVVMPO-AWEZNQCLSA-N 1 2 309.373 2.508 20 30 DFEDLO OCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000305081463 337012941 /nfs/dbraw/zinc/01/29/41/337012941.db2.gz QWLFAHGGIFDIDZ-UHFFFAOYSA-N 1 2 300.789 2.581 20 30 DFEDLO OCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000305081463 337012942 /nfs/dbraw/zinc/01/29/42/337012942.db2.gz QWLFAHGGIFDIDZ-UHFFFAOYSA-N 1 2 300.789 2.581 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)OCC ZINC000375956840 337024326 /nfs/dbraw/zinc/02/43/26/337024326.db2.gz ZFOYMWVKCOLYHA-OAHLLOKOSA-N 1 2 305.422 2.549 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000376172466 337028956 /nfs/dbraw/zinc/02/89/56/337028956.db2.gz MWEUEDRXNVMNMQ-HZPDHXFCSA-N 1 2 307.397 2.580 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000376172466 337028957 /nfs/dbraw/zinc/02/89/57/337028957.db2.gz MWEUEDRXNVMNMQ-HZPDHXFCSA-N 1 2 307.397 2.580 20 30 DFEDLO C=C(CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000377034398 337045789 /nfs/dbraw/zinc/04/57/89/337045789.db2.gz WOCWSGXVWIAHRV-MRXNPFEDSA-N 1 2 310.401 2.632 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000377043430 337045915 /nfs/dbraw/zinc/04/59/15/337045915.db2.gz FAHMZMVZSVESBM-UHFFFAOYSA-N 1 2 303.410 2.560 20 30 DFEDLO O=C([C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000378223835 337068434 /nfs/dbraw/zinc/06/84/34/337068434.db2.gz ZTBTXWKWMVQTTR-SFHVURJKSA-N 1 2 314.404 2.654 20 30 DFEDLO O=C([C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000378223835 337068435 /nfs/dbraw/zinc/06/84/35/337068435.db2.gz ZTBTXWKWMVQTTR-SFHVURJKSA-N 1 2 314.404 2.654 20 30 DFEDLO C#CCOCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378278576 337069259 /nfs/dbraw/zinc/06/92/59/337069259.db2.gz YVQSBSYVRXJDCZ-UHFFFAOYSA-N 1 2 321.380 2.580 20 30 DFEDLO C#CCC[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000378541837 337075428 /nfs/dbraw/zinc/07/54/28/337075428.db2.gz WWGCAMGVFOEXKW-IBGZPJMESA-N 1 2 323.440 2.945 20 30 DFEDLO C#CCC[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000378541837 337075429 /nfs/dbraw/zinc/07/54/29/337075429.db2.gz WWGCAMGVFOEXKW-IBGZPJMESA-N 1 2 323.440 2.945 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCCCC#N ZINC000171738716 337089022 /nfs/dbraw/zinc/08/90/22/337089022.db2.gz LFTMNQVRNZNDKG-UHFFFAOYSA-N 1 2 313.405 2.728 20 30 DFEDLO C=C(C)CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180593083 337176541 /nfs/dbraw/zinc/17/65/41/337176541.db2.gz FUGFBDQQEGPIIY-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000181624494 337183424 /nfs/dbraw/zinc/18/34/24/337183424.db2.gz FKHVWOXMIWWOGG-UHFFFAOYSA-N 1 2 303.406 2.559 20 30 DFEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000182144340 337186764 /nfs/dbraw/zinc/18/67/64/337186764.db2.gz KCDGYILOORZLLX-STQMWFEESA-N 1 2 310.357 2.690 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000582918688 337217758 /nfs/dbraw/zinc/21/77/58/337217758.db2.gz IPQNAEFYCLJRHM-GOSISDBHSA-N 1 2 304.409 2.982 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000582918688 337217759 /nfs/dbraw/zinc/21/77/59/337217759.db2.gz IPQNAEFYCLJRHM-GOSISDBHSA-N 1 2 304.409 2.982 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186108146 337253649 /nfs/dbraw/zinc/25/36/49/337253649.db2.gz QZZDKRPVGQWARR-NZVBXONLSA-N 1 2 323.799 2.545 20 30 DFEDLO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186108146 337253650 /nfs/dbraw/zinc/25/36/50/337253650.db2.gz QZZDKRPVGQWARR-NZVBXONLSA-N 1 2 323.799 2.545 20 30 DFEDLO N#CC1(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000186406825 337255922 /nfs/dbraw/zinc/25/59/22/337255922.db2.gz ASOKOWFXYJRYPG-UHFFFAOYSA-N 1 2 312.417 2.594 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189814903 337283298 /nfs/dbraw/zinc/28/32/98/337283298.db2.gz ROMMPKWLGUZLJU-OAHLLOKOSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189814903 337283299 /nfs/dbraw/zinc/28/32/99/337283299.db2.gz ROMMPKWLGUZLJU-OAHLLOKOSA-N 1 2 305.447 2.789 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000191074636 337293582 /nfs/dbraw/zinc/29/35/82/337293582.db2.gz DOMMJMMHKBTFFE-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000191074636 337293583 /nfs/dbraw/zinc/29/35/83/337293583.db2.gz DOMMJMMHKBTFFE-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(F)cc1Cl ZINC000191077859 337293599 /nfs/dbraw/zinc/29/35/99/337293599.db2.gz CVNOXDXSPBYGSJ-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(F)cc1Cl ZINC000191077859 337293600 /nfs/dbraw/zinc/29/36/00/337293600.db2.gz CVNOXDXSPBYGSJ-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191119604 337294239 /nfs/dbraw/zinc/29/42/39/337294239.db2.gz GDVYITKZLCXLPJ-UHFFFAOYSA-N 1 2 316.323 2.778 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191119604 337294240 /nfs/dbraw/zinc/29/42/40/337294240.db2.gz GDVYITKZLCXLPJ-UHFFFAOYSA-N 1 2 316.323 2.778 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000584665768 337380717 /nfs/dbraw/zinc/38/07/17/337380717.db2.gz ZHBGZVLIHDFAIK-QEJZJMRPSA-N 1 2 309.793 2.735 20 30 DFEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H](CC)O1 ZINC000420949088 337514481 /nfs/dbraw/zinc/51/44/81/337514481.db2.gz OILFXJKFZSAWNG-BZUAXINKSA-N 1 2 321.465 2.607 20 30 DFEDLO C=C1CC[NH+](CC(=O)c2cc(C)n(CCCOC)c2C)CC1 ZINC000264508184 337632837 /nfs/dbraw/zinc/63/28/37/337632837.db2.gz WXTJVJVGWYLHDI-UHFFFAOYSA-N 1 2 304.434 2.976 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000527695415 337760378 /nfs/dbraw/zinc/76/03/78/337760378.db2.gz CPNJIOJNFPOHCY-UHFFFAOYSA-N 1 2 305.447 2.722 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(C)cc2Br)nn1 ZINC000424169212 337791324 /nfs/dbraw/zinc/79/13/24/337791324.db2.gz HONHLAGGHKXGKQ-UHFFFAOYSA-N 1 2 321.222 2.825 20 30 DFEDLO CCC(C#N)(CC)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000528312566 337801601 /nfs/dbraw/zinc/80/16/01/337801601.db2.gz VDCWQKXTVPKBFP-UHFFFAOYSA-N 1 2 303.406 2.995 20 30 DFEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000106419011 337817842 /nfs/dbraw/zinc/81/78/42/337817842.db2.gz DGXRYSKAUAYCNE-HNNXBMFYSA-N 1 2 324.771 2.911 20 30 DFEDLO C[C@H](CC(=O)Nc1ncccc1OCCCC#N)n1cc[nH+]c1 ZINC000516475095 338013151 /nfs/dbraw/zinc/01/31/51/338013151.db2.gz DLDMQUNDYBECJF-CYBMUJFWSA-N 1 2 313.361 2.550 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000430121031 338098051 /nfs/dbraw/zinc/09/80/51/338098051.db2.gz LDXSYCIPNUGLKQ-UHFFFAOYSA-N 1 2 323.458 2.508 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432555523 338158812 /nfs/dbraw/zinc/15/88/12/338158812.db2.gz HHQRKHGFYSUHFZ-OAHLLOKOSA-N 1 2 303.406 2.847 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433304533 338190660 /nfs/dbraw/zinc/19/06/60/338190660.db2.gz LCRKMXBKHWTEGN-OAHLLOKOSA-N 1 2 301.434 2.905 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433304533 338190661 /nfs/dbraw/zinc/19/06/61/338190661.db2.gz LCRKMXBKHWTEGN-OAHLLOKOSA-N 1 2 301.434 2.905 20 30 DFEDLO C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC(C)(C)C#N ZINC000433314944 338191740 /nfs/dbraw/zinc/19/17/40/338191740.db2.gz CPIPDIQPFJCEJM-UHFFFAOYSA-N 1 2 324.428 2.534 20 30 DFEDLO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC(C)(C)C#N ZINC000433314944 338191741 /nfs/dbraw/zinc/19/17/41/338191741.db2.gz CPIPDIQPFJCEJM-UHFFFAOYSA-N 1 2 324.428 2.534 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCO[C@H](CC)C2)c1C ZINC000439480086 338371284 /nfs/dbraw/zinc/37/12/84/338371284.db2.gz WSGJMVKLNBVPHF-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCO[C@H](CC)C2)c1C ZINC000439480086 338371285 /nfs/dbraw/zinc/37/12/85/338371285.db2.gz WSGJMVKLNBVPHF-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCC1(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000454553653 338866548 /nfs/dbraw/zinc/86/65/48/338866548.db2.gz VTGYXEYRELCVKQ-JKSUJKDBSA-N 1 2 323.481 2.531 20 30 DFEDLO N#CCc1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000455956607 338915296 /nfs/dbraw/zinc/91/52/96/338915296.db2.gz YBTBOQKTLQLDSD-UHFFFAOYSA-N 1 2 321.384 2.502 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cccc(O)c1Br ZINC000459533452 339034396 /nfs/dbraw/zinc/03/43/96/339034396.db2.gz VQIKFUAIIPHEBQ-UHFFFAOYSA-N 1 2 300.196 2.789 20 30 DFEDLO C=CC(C)(C)CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000458983381 339010097 /nfs/dbraw/zinc/01/00/97/339010097.db2.gz DDJWWCBKMXBOMW-UHFFFAOYSA-N 1 2 318.343 2.799 20 30 DFEDLO C=CCN(CC1CCCCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459166541 339015088 /nfs/dbraw/zinc/01/50/88/339015088.db2.gz DTQCZTWWOXHHDP-UHFFFAOYSA-N 1 2 304.438 2.741 20 30 DFEDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000459468075 339030823 /nfs/dbraw/zinc/03/08/23/339030823.db2.gz QNEBMWYRVUBPNS-OBJOEFQTSA-N 1 2 316.361 2.512 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000459474022 339031312 /nfs/dbraw/zinc/03/13/12/339031312.db2.gz YJVUADMXNQDSHI-QWRGUYRKSA-N 1 2 316.386 2.623 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cccc(O)c1Br ZINC000459533452 339034395 /nfs/dbraw/zinc/03/43/95/339034395.db2.gz VQIKFUAIIPHEBQ-UHFFFAOYSA-N 1 2 300.196 2.789 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)C(=O)OC ZINC000482438536 339631425 /nfs/dbraw/zinc/63/14/25/339631425.db2.gz MFPKXGOXQRHNST-IKGGRYGDSA-N 1 2 303.402 2.657 20 30 DFEDLO C#CCN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C1CCCCC1 ZINC000490852806 339841922 /nfs/dbraw/zinc/84/19/22/339841922.db2.gz NXAWWNMZCQYJBQ-HNNXBMFYSA-N 1 2 314.433 2.738 20 30 DFEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1cn2cc(C)ccc2[nH+]1 ZINC000491209189 339853568 /nfs/dbraw/zinc/85/35/68/339853568.db2.gz CUHUCZVSGHQEAF-GOSISDBHSA-N 1 2 316.364 2.842 20 30 DFEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C1CCCCC1 ZINC000491425845 339861735 /nfs/dbraw/zinc/86/17/35/339861735.db2.gz CSUUGCBQVJIVAN-INIZCTEOSA-N 1 2 314.433 2.849 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000492413676 339899996 /nfs/dbraw/zinc/89/99/96/339899996.db2.gz YKDWFYOEPIGOTE-YXBWYFRISA-N 1 2 322.412 2.947 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](C(C)(C)C#N)C[C@H]21 ZINC000496472862 340006197 /nfs/dbraw/zinc/00/61/97/340006197.db2.gz AHUSZRUQRNTUKG-BFHYXJOUSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](C(C)(C)C#N)C[C@H]21 ZINC000496472862 340006198 /nfs/dbraw/zinc/00/61/98/340006198.db2.gz AHUSZRUQRNTUKG-BFHYXJOUSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](C(C)(C)C#N)C[C@@H]21 ZINC000496472864 340006206 /nfs/dbraw/zinc/00/62/06/340006206.db2.gz AHUSZRUQRNTUKG-MELADBBJSA-N 1 2 307.438 2.914 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](C(C)(C)C#N)C[C@@H]21 ZINC000496472864 340006207 /nfs/dbraw/zinc/00/62/07/340006207.db2.gz AHUSZRUQRNTUKG-MELADBBJSA-N 1 2 307.438 2.914 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000510917107 340314707 /nfs/dbraw/zinc/31/47/07/340314707.db2.gz BEVJPAUYTQYXKZ-UHFFFAOYSA-N 1 2 309.429 2.791 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000173941162 340378332 /nfs/dbraw/zinc/37/83/32/340378332.db2.gz HIVAFTSTBGYEAI-INIZCTEOSA-N 1 2 323.387 2.929 20 30 DFEDLO N#CCc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000194070091 340588590 /nfs/dbraw/zinc/58/85/90/340588590.db2.gz BWHXOUFPWSVLAU-UHFFFAOYSA-N 1 2 309.373 2.771 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132390506 341121863 /nfs/dbraw/zinc/12/18/63/341121863.db2.gz RHQNAENKUNJOAV-COLVAYQJSA-N 1 2 309.360 2.584 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132390506 341121864 /nfs/dbraw/zinc/12/18/64/341121864.db2.gz RHQNAENKUNJOAV-COLVAYQJSA-N 1 2 309.360 2.584 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2cncc(Br)c2)c1 ZINC000545927203 341146545 /nfs/dbraw/zinc/14/65/45/341146545.db2.gz YBCXZSXWDWIYQC-UHFFFAOYSA-N 1 2 303.163 2.917 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000546617434 341175034 /nfs/dbraw/zinc/17/50/34/341175034.db2.gz HJLYOBFWJLPXDO-XOYHFGRZSA-N 1 2 317.458 2.893 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(CC#N)CC1 ZINC000546915501 341186411 /nfs/dbraw/zinc/18/64/11/341186411.db2.gz MHBAVLBDSVLRNZ-UHFFFAOYSA-N 1 2 310.401 2.751 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547671668 341226539 /nfs/dbraw/zinc/22/65/39/341226539.db2.gz ZNMFZAGJPMTCPB-OAHLLOKOSA-N 1 2 323.400 2.821 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000548499682 341264314 /nfs/dbraw/zinc/26/43/14/341264314.db2.gz RFUSDYAZMQCLLK-QGZVFWFLSA-N 1 2 312.413 2.668 20 30 DFEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000548499682 341264315 /nfs/dbraw/zinc/26/43/15/341264315.db2.gz RFUSDYAZMQCLLK-QGZVFWFLSA-N 1 2 312.413 2.668 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000548741856 341271459 /nfs/dbraw/zinc/27/14/59/341271459.db2.gz KROIMKONCMCOQL-TWGQIWQCSA-N 1 2 311.429 2.784 20 30 DFEDLO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249277764 341395844 /nfs/dbraw/zinc/39/58/44/341395844.db2.gz NMMNYSLJRHYFOY-HUUCEWRRSA-N 1 2 309.360 2.537 20 30 DFEDLO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249277764 341395845 /nfs/dbraw/zinc/39/58/45/341395845.db2.gz NMMNYSLJRHYFOY-HUUCEWRRSA-N 1 2 309.360 2.537 20 30 DFEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000567692548 341627937 /nfs/dbraw/zinc/62/79/37/341627937.db2.gz WTTZRELMCCTQSJ-CYBMUJFWSA-N 1 2 308.447 2.507 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000155080838 500676371 /nfs/dbraw/zinc/67/63/71/500676371.db2.gz ULBQPNHDSAXBFK-MRXNPFEDSA-N 1 2 301.365 2.557 20 30 DFEDLO C[C@@H](CNc1ncc(Br)cc1C#N)Cn1cc[nH+]c1 ZINC000294776313 534096961 /nfs/dbraw/zinc/09/69/61/534096961.db2.gz ADAZZVFYRMGCHZ-JTQLQIEISA-N 1 2 320.194 2.660 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000483404036 517346890 /nfs/dbraw/zinc/34/68/90/517346890.db2.gz JINVHHRNKWDNSP-UHFFFAOYSA-N 1 2 319.836 2.581 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365202991 526188587 /nfs/dbraw/zinc/18/85/87/526188587.db2.gz RFMHVNMAWDPDBA-OAHLLOKOSA-N 1 2 308.385 2.620 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C#N)cc1)C2 ZINC000332591308 526814238 /nfs/dbraw/zinc/81/42/38/526814238.db2.gz AQDCSGFLNLPACN-OAHLLOKOSA-N 1 2 322.412 2.797 20 30 DFEDLO CCO[C@@H]1C[C@](O)(CNc2cc(C)[nH+]c(C)c2C#N)C1(C)C ZINC000302670531 527990644 /nfs/dbraw/zinc/99/06/44/527990644.db2.gz DMBQFJCZJDBYIF-WBVHZDCISA-N 1 2 303.406 2.548 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369541429 535862446 /nfs/dbraw/zinc/86/24/46/535862446.db2.gz NXEWTYOCRRYRRG-QZTJIDSGSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369541429 535862451 /nfs/dbraw/zinc/86/24/51/535862451.db2.gz NXEWTYOCRRYRRG-QZTJIDSGSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000681904645 545747721 /nfs/dbraw/zinc/74/77/21/545747721.db2.gz XTXNYKBNNIVWBQ-INIZCTEOSA-N 1 2 319.449 2.667 20 30 DFEDLO C=CCCOCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684072704 546146963 /nfs/dbraw/zinc/14/69/63/546146963.db2.gz QFMUMFSSVAWWDT-UHFFFAOYSA-N 1 2 317.433 2.518 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000684928917 546304195 /nfs/dbraw/zinc/30/41/95/546304195.db2.gz GZLKVWAQBJLTBI-HUUCEWRRSA-N 1 2 320.437 2.553 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000684928917 546304198 /nfs/dbraw/zinc/30/41/98/546304198.db2.gz GZLKVWAQBJLTBI-HUUCEWRRSA-N 1 2 320.437 2.553 20 30 DFEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1CCc2ccccc21 ZINC000819701383 607442057 /nfs/dbraw/zinc/44/20/57/607442057.db2.gz FDWZIDBDTPJOJH-MRXNPFEDSA-N 1 2 319.368 2.582 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1CCc2ccccc21 ZINC000819701383 607442059 /nfs/dbraw/zinc/44/20/59/607442059.db2.gz FDWZIDBDTPJOJH-MRXNPFEDSA-N 1 2 319.368 2.582 20 30 DFEDLO C=CC[N@H+](Cc1cncs1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914393 608632071 /nfs/dbraw/zinc/63/20/71/608632071.db2.gz HZZTUNDWRWXBRV-UHFFFAOYSA-N 1 2 312.402 2.511 20 30 DFEDLO C=CC[N@@H+](Cc1cncs1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914393 608632075 /nfs/dbraw/zinc/63/20/75/608632075.db2.gz HZZTUNDWRWXBRV-UHFFFAOYSA-N 1 2 312.402 2.511 20 30 DFEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000823915386 608633274 /nfs/dbraw/zinc/63/32/74/608633274.db2.gz WSSCKZFBAQJSPC-UHFFFAOYSA-N 1 2 320.356 2.520 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000823915386 608633275 /nfs/dbraw/zinc/63/32/75/608633275.db2.gz WSSCKZFBAQJSPC-UHFFFAOYSA-N 1 2 320.356 2.520 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824085153 608679860 /nfs/dbraw/zinc/67/98/60/608679860.db2.gz CPAOSSFUZWQYAJ-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824085153 608679862 /nfs/dbraw/zinc/67/98/62/608679862.db2.gz CPAOSSFUZWQYAJ-UHFFFAOYSA-N 1 2 304.423 2.690 20 30 DFEDLO Cc1ccc([C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357357 231002817 /nfs/dbraw/zinc/00/28/17/231002817.db2.gz SEKGAOKJLPKNHP-WMZOPIPTSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CCO2)o1 ZINC000305357357 231002820 /nfs/dbraw/zinc/00/28/20/231002820.db2.gz SEKGAOKJLPKNHP-WMZOPIPTSA-N 1 2 312.369 2.567 20 30 DFEDLO N#Cc1cccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c1 ZINC000305713763 231024410 /nfs/dbraw/zinc/02/44/10/231024410.db2.gz STALDECIVHQLGL-UHFFFAOYSA-N 1 2 322.412 2.774 20 30 DFEDLO C[NH+](C)C1(C/N=C/c2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000005291278 398350535 /nfs/dbraw/zinc/35/05/35/398350535.db2.gz OIKIRHVLDOCHSI-GZTJUZNOSA-N 1 2 305.378 2.984 20 30 DFEDLO Cc1cc(N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000592007051 398372065 /nfs/dbraw/zinc/37/20/65/398372065.db2.gz YJHNQCWDVWSGIH-GXTWGEPZSA-N 1 2 301.390 2.606 20 30 DFEDLO CC[N@@H+](CC(=O)NCc1cccc(OC(C)C)c1)C[C@@H](C)C#N ZINC000066424794 398376322 /nfs/dbraw/zinc/37/63/22/398376322.db2.gz FZJXAEPAWDUTKO-HNNXBMFYSA-N 1 2 317.433 2.572 20 30 DFEDLO CC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)C[C@@H](C)C#N ZINC000066424794 398376324 /nfs/dbraw/zinc/37/63/24/398376324.db2.gz FZJXAEPAWDUTKO-HNNXBMFYSA-N 1 2 317.433 2.572 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000579139587 398378602 /nfs/dbraw/zinc/37/86/02/398378602.db2.gz MJQFIZUROJSDFZ-JTQLQIEISA-N 1 2 304.375 2.623 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469279 398379618 /nfs/dbraw/zinc/37/96/18/398379618.db2.gz VKSBCFIZWBYHBD-JKSUJKDBSA-N 1 2 301.434 2.904 20 30 DFEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469279 398379620 /nfs/dbraw/zinc/37/96/20/398379620.db2.gz VKSBCFIZWBYHBD-JKSUJKDBSA-N 1 2 301.434 2.904 20 30 DFEDLO C=CCCCCCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000579371705 398379792 /nfs/dbraw/zinc/37/97/92/398379792.db2.gz VMTHTDBGZSBYLE-HNNXBMFYSA-N 1 2 319.453 2.544 20 30 DFEDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccncc3C#N)CC2)c1 ZINC000592074854 398379859 /nfs/dbraw/zinc/37/98/59/398379859.db2.gz FVHKNEIVYQPQNC-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000592091723 398382724 /nfs/dbraw/zinc/38/27/24/398382724.db2.gz BDKZXLHASBNAJZ-CQSZACIVSA-N 1 2 320.396 2.931 20 30 DFEDLO Cc1cc(N2CCN(c3ccsc3C#N)CC2)c(C#N)c[nH+]1 ZINC000596352567 398392802 /nfs/dbraw/zinc/39/28/02/398392802.db2.gz OFXDWXHVKGHZIH-UHFFFAOYSA-N 1 2 309.398 2.521 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190521547 334943148 /nfs/dbraw/zinc/94/31/48/334943148.db2.gz PEJGXIOHRYUKFE-AWEZNQCLSA-N 1 2 321.465 2.607 20 30 DFEDLO N#Cc1ccc(NC(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000024276525 398430036 /nfs/dbraw/zinc/43/00/36/398430036.db2.gz XHCOYOOGWFIERG-UHFFFAOYSA-N 1 2 308.366 2.937 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000592523351 398440588 /nfs/dbraw/zinc/44/05/88/398440588.db2.gz YWCSCZKXHPBKHS-CYBMUJFWSA-N 1 2 303.164 2.983 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000592523351 398440590 /nfs/dbraw/zinc/44/05/90/398440590.db2.gz YWCSCZKXHPBKHS-CYBMUJFWSA-N 1 2 303.164 2.983 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592499984 398434666 /nfs/dbraw/zinc/43/46/66/398434666.db2.gz IGHZARBSVQQGNJ-ZDUSSCGKSA-N 1 2 319.368 2.557 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592499984 398434668 /nfs/dbraw/zinc/43/46/68/398434668.db2.gz IGHZARBSVQQGNJ-ZDUSSCGKSA-N 1 2 319.368 2.557 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592499983 398434785 /nfs/dbraw/zinc/43/47/85/398434785.db2.gz IGHZARBSVQQGNJ-CYBMUJFWSA-N 1 2 319.368 2.557 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592499983 398434788 /nfs/dbraw/zinc/43/47/88/398434788.db2.gz IGHZARBSVQQGNJ-CYBMUJFWSA-N 1 2 319.368 2.557 20 30 DFEDLO C=C(Br)C[N@H+]1CCCN(c2nc(C)cs2)CC1 ZINC000067460292 398436046 /nfs/dbraw/zinc/43/60/46/398436046.db2.gz RSGDSHWNIHZPBQ-UHFFFAOYSA-N 1 2 316.268 2.872 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCN(c2nc(C)cs2)CC1 ZINC000067460292 398436050 /nfs/dbraw/zinc/43/60/50/398436050.db2.gz RSGDSHWNIHZPBQ-UHFFFAOYSA-N 1 2 316.268 2.872 20 30 DFEDLO CCOc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(Cl)c1OC ZINC000592524400 398442160 /nfs/dbraw/zinc/44/21/60/398442160.db2.gz XHVDFPUGXIQVTF-MRXNPFEDSA-N 1 2 324.808 2.598 20 30 DFEDLO CCOc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(Cl)c1OC ZINC000592524400 398442162 /nfs/dbraw/zinc/44/21/62/398442162.db2.gz XHVDFPUGXIQVTF-MRXNPFEDSA-N 1 2 324.808 2.598 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000267691858 398444331 /nfs/dbraw/zinc/44/43/31/398444331.db2.gz QYGBMLIOTLHMME-RHSMWYFYSA-N 1 2 323.400 2.690 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000592522468 398441102 /nfs/dbraw/zinc/44/11/02/398441102.db2.gz NLYGNPDNPCQLCQ-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000592522468 398441105 /nfs/dbraw/zinc/44/11/05/398441105.db2.gz NLYGNPDNPCQLCQ-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057907695 334954032 /nfs/dbraw/zinc/95/40/32/334954032.db2.gz CRYKXYVVAGQCBK-UHFFFAOYSA-N 1 2 324.428 2.786 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592354 398455886 /nfs/dbraw/zinc/45/58/86/398455886.db2.gz NXLJAJKSHAHEDA-FUHWJXTLSA-N 1 2 314.433 2.519 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592354 398455888 /nfs/dbraw/zinc/45/58/88/398455888.db2.gz NXLJAJKSHAHEDA-FUHWJXTLSA-N 1 2 314.433 2.519 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596633097 398466309 /nfs/dbraw/zinc/46/63/09/398466309.db2.gz WMHLINXPCZDLHS-INIZCTEOSA-N 1 2 309.373 2.500 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596633097 398466311 /nfs/dbraw/zinc/46/63/11/398466311.db2.gz WMHLINXPCZDLHS-INIZCTEOSA-N 1 2 309.373 2.500 20 30 DFEDLO OC1(C(F)(F)F)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000089971032 398473545 /nfs/dbraw/zinc/47/35/45/398473545.db2.gz FUIIXLLIISFSNH-UHFFFAOYSA-N 1 2 301.283 2.566 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000292038438 398481487 /nfs/dbraw/zinc/48/14/87/398481487.db2.gz AEXTUEGKZJCLRW-CQSZACIVSA-N 1 2 308.809 2.790 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000292038438 398481490 /nfs/dbraw/zinc/48/14/90/398481490.db2.gz AEXTUEGKZJCLRW-CQSZACIVSA-N 1 2 308.809 2.790 20 30 DFEDLO N#CCCCCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000588150763 398485027 /nfs/dbraw/zinc/48/50/27/398485027.db2.gz ACVYHJCXEXRBFL-UHFFFAOYSA-N 1 2 300.406 2.641 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(F)c1 ZINC000029593648 398487991 /nfs/dbraw/zinc/48/79/91/398487991.db2.gz QJMKHXLJVXPZLQ-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000305869525 398507284 /nfs/dbraw/zinc/50/72/84/398507284.db2.gz ZXVGGXVEFQZOJG-LBPRGKRZSA-N 1 2 314.364 2.694 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1(C(F)F)CCCC1 ZINC000588860927 398511809 /nfs/dbraw/zinc/51/18/09/398511809.db2.gz DFBUVMPAZBQTFT-UHFFFAOYSA-N 1 2 306.320 2.730 20 30 DFEDLO N#CCCN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596895685 398524608 /nfs/dbraw/zinc/52/46/08/398524608.db2.gz XHMYTDDUEXOOHP-MRXNPFEDSA-N 1 2 321.384 2.588 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000589128842 398529112 /nfs/dbraw/zinc/52/91/12/398529112.db2.gz OPNHFSCOHRJAHW-QGZVFWFLSA-N 1 2 322.412 2.978 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000279708537 215079460 /nfs/dbraw/zinc/07/94/60/215079460.db2.gz JZSQPBKVHFDIBU-HNNXBMFYSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)CC1 ZINC000279708537 215079461 /nfs/dbraw/zinc/07/94/61/215079461.db2.gz JZSQPBKVHFDIBU-HNNXBMFYSA-N 1 2 318.442 2.990 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272622492 210024036 /nfs/dbraw/zinc/02/40/36/210024036.db2.gz IZBVGAKKSAGTGZ-OAHLLOKOSA-N 1 2 312.373 2.698 20 30 DFEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272622492 210024041 /nfs/dbraw/zinc/02/40/41/210024041.db2.gz IZBVGAKKSAGTGZ-OAHLLOKOSA-N 1 2 312.373 2.698 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000075679707 282555764 /nfs/dbraw/zinc/55/57/64/282555764.db2.gz QWYGXJAORCMPDB-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596986952 398541459 /nfs/dbraw/zinc/54/14/59/398541459.db2.gz ZTQYVMZQWIYDNO-QGZVFWFLSA-N 1 2 322.412 2.754 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596986946 398541271 /nfs/dbraw/zinc/54/12/71/398541271.db2.gz ZLWOOJURFPHJCY-INIZCTEOSA-N 1 2 322.412 2.823 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596986946 398541274 /nfs/dbraw/zinc/54/12/74/398541274.db2.gz ZLWOOJURFPHJCY-INIZCTEOSA-N 1 2 322.412 2.823 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C#N ZINC000589287545 398543089 /nfs/dbraw/zinc/54/30/89/398543089.db2.gz LQGUKOIBPXPBRQ-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cn1 ZINC000597015150 398548045 /nfs/dbraw/zinc/54/80/45/398548045.db2.gz WDWWAGHFSFHXJZ-SFHVURJKSA-N 1 2 322.412 2.549 20 30 DFEDLO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cn1 ZINC000597015150 398548048 /nfs/dbraw/zinc/54/80/48/398548048.db2.gz WDWWAGHFSFHXJZ-SFHVURJKSA-N 1 2 322.412 2.549 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116886 398549409 /nfs/dbraw/zinc/54/94/09/398549409.db2.gz KDCUXISLJDVKJE-BONVTDFDSA-N 1 2 323.343 2.826 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC3(F)F)C2)c(C#N)c1C ZINC000593116886 398549411 /nfs/dbraw/zinc/54/94/11/398549411.db2.gz KDCUXISLJDVKJE-BONVTDFDSA-N 1 2 323.343 2.826 20 30 DFEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125456 398553421 /nfs/dbraw/zinc/55/34/21/398553421.db2.gz NHCWRKDHPZJDHL-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125456 398553426 /nfs/dbraw/zinc/55/34/26/398553426.db2.gz NHCWRKDHPZJDHL-SFHVURJKSA-N 1 2 322.408 2.931 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 ZINC000593153272 398559487 /nfs/dbraw/zinc/55/94/87/398559487.db2.gz KCRWJLJKUMOXFP-OAHLLOKOSA-N 1 2 305.765 2.660 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C#N)cn1 ZINC000589534139 398559675 /nfs/dbraw/zinc/55/96/75/398559675.db2.gz IMRYBUBDOSALIL-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO CC(C)C[C@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597074814 398560197 /nfs/dbraw/zinc/56/01/97/398560197.db2.gz FMZWMOQCDKXSKO-CVEARBPZSA-N 1 2 310.401 2.986 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000597115090 398569384 /nfs/dbraw/zinc/56/93/84/398569384.db2.gz GMLRDBWPHPITRU-SNVBAGLBSA-N 1 2 316.311 2.579 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1nc(C)c(C#N)cc1Cl)C2 ZINC000589686209 398570454 /nfs/dbraw/zinc/57/04/54/398570454.db2.gz DKPJZLZESDNSTB-UHFFFAOYSA-N 1 2 301.781 2.749 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000339749588 398578407 /nfs/dbraw/zinc/57/84/07/398578407.db2.gz IZOFHYZODKHNPP-LBPRGKRZSA-N 1 2 322.430 2.515 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000339749588 398578409 /nfs/dbraw/zinc/57/84/09/398578409.db2.gz IZOFHYZODKHNPP-LBPRGKRZSA-N 1 2 322.430 2.515 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597200486 398589091 /nfs/dbraw/zinc/58/90/91/398589091.db2.gz YCTABCKWMSWWRZ-YPMHNXCESA-N 1 2 317.345 2.538 20 30 DFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000593312188 398595864 /nfs/dbraw/zinc/59/58/64/398595864.db2.gz NWRVQQXAFVZXLI-HNNXBMFYSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000597228942 398597949 /nfs/dbraw/zinc/59/79/49/398597949.db2.gz IWGZGHYMHNYFCK-KRWDZBQOSA-N 1 2 310.357 2.541 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000597228942 398597952 /nfs/dbraw/zinc/59/79/52/398597952.db2.gz IWGZGHYMHNYFCK-KRWDZBQOSA-N 1 2 310.357 2.541 20 30 DFEDLO COc1cc(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1C#N ZINC000597231823 398599080 /nfs/dbraw/zinc/59/90/80/398599080.db2.gz OXNSIGCKTWGFQH-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1cc(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1C#N ZINC000597231823 398599083 /nfs/dbraw/zinc/59/90/83/398599083.db2.gz OXNSIGCKTWGFQH-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000093100201 398619176 /nfs/dbraw/zinc/61/91/76/398619176.db2.gz MSMNASUDWHTUKV-UHFFFAOYSA-N 1 2 302.296 2.947 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000093100201 398619180 /nfs/dbraw/zinc/61/91/80/398619180.db2.gz MSMNASUDWHTUKV-UHFFFAOYSA-N 1 2 302.296 2.947 20 30 DFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)CC#N ZINC000597318919 398619457 /nfs/dbraw/zinc/61/94/57/398619457.db2.gz LOCPTGOHWBBTOP-OAHLLOKOSA-N 1 2 314.433 2.696 20 30 DFEDLO C=CCC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCOCC1 ZINC000351282915 398627695 /nfs/dbraw/zinc/62/76/95/398627695.db2.gz CFIFSASMVREHOQ-UHFFFAOYSA-N 1 2 324.384 2.932 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCCc1ccc(F)cc1 ZINC000072691558 398630732 /nfs/dbraw/zinc/63/07/32/398630732.db2.gz SHXWPJLDALMKMC-UHFFFAOYSA-N 1 2 319.424 2.746 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCCc1ccc(F)cc1 ZINC000072691558 398630736 /nfs/dbraw/zinc/63/07/36/398630736.db2.gz SHXWPJLDALMKMC-UHFFFAOYSA-N 1 2 319.424 2.746 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000155922831 186123494 /nfs/dbraw/zinc/12/34/94/186123494.db2.gz FTDSCADPBUGKBA-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)NCC(C)(C)CCC#N)cn21 ZINC000353107049 398638238 /nfs/dbraw/zinc/63/82/38/398638238.db2.gz CWZDOQGLUBMDHF-UHFFFAOYSA-N 1 2 313.405 2.772 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000597420515 398638363 /nfs/dbraw/zinc/63/83/63/398638363.db2.gz FQKCLOKYUAJDEQ-GJZGRUSLSA-N 1 2 308.385 2.676 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000597420515 398638366 /nfs/dbraw/zinc/63/83/66/398638366.db2.gz FQKCLOKYUAJDEQ-GJZGRUSLSA-N 1 2 308.385 2.676 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCC[C@]2(C)C(=O)OC)cc(OC)c1O ZINC000189988991 186259464 /nfs/dbraw/zinc/25/94/64/186259464.db2.gz HONWLYRQSFNLNI-GOSISDBHSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)cc(OC)c1O ZINC000189988991 186259465 /nfs/dbraw/zinc/25/94/65/186259465.db2.gz HONWLYRQSFNLNI-GOSISDBHSA-N 1 2 319.401 2.657 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364965729 398647456 /nfs/dbraw/zinc/64/74/56/398647456.db2.gz ZRZVPLMCYSRHEF-HNNXBMFYSA-N 1 2 302.422 2.624 20 30 DFEDLO CC[C@H](C#N)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000593495778 398646088 /nfs/dbraw/zinc/64/60/88/398646088.db2.gz IPVIQRNBMQVEAT-MRXNPFEDSA-N 1 2 314.433 2.696 20 30 DFEDLO COc1cccc(-c2noc(C[NH+]3CCC(C)(C#N)CC3)n2)c1 ZINC000364786686 398646171 /nfs/dbraw/zinc/64/61/71/398646171.db2.gz JHNIFKMCEOWJFB-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000593551654 398654493 /nfs/dbraw/zinc/65/44/93/398654493.db2.gz CJASSXZPTNDLHB-HUUCEWRRSA-N 1 2 310.401 2.886 20 30 DFEDLO C[NH+](C)[C@@H](CNc1cnccc1C#N)c1c(F)cccc1F ZINC000094159894 398655799 /nfs/dbraw/zinc/65/57/99/398655799.db2.gz JFFSGGNLCCWCGP-HNNXBMFYSA-N 1 2 302.328 2.946 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000045027402 398659597 /nfs/dbraw/zinc/65/95/97/398659597.db2.gz WAWLTXRJGFVJKM-UHFFFAOYSA-N 1 2 310.357 2.501 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590731848 398661612 /nfs/dbraw/zinc/66/16/12/398661612.db2.gz ZCGXAXBUPGCDRC-OAHLLOKOSA-N 1 2 311.385 2.925 20 30 DFEDLO N#CC1(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000590766866 398669305 /nfs/dbraw/zinc/66/93/05/398669305.db2.gz KKMKKFLNTWGNNV-UHFFFAOYSA-N 1 2 314.776 2.836 20 30 DFEDLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1Br ZINC000397761496 398682150 /nfs/dbraw/zinc/68/21/50/398682150.db2.gz RTXFUAGJQNJKRP-LLVKDONJSA-N 1 2 311.227 2.617 20 30 DFEDLO Cc1nn(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c1Br ZINC000397761496 398682159 /nfs/dbraw/zinc/68/21/59/398682159.db2.gz RTXFUAGJQNJKRP-LLVKDONJSA-N 1 2 311.227 2.617 20 30 DFEDLO N#Cc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045959730 398690232 /nfs/dbraw/zinc/69/02/32/398690232.db2.gz VUUGMQNXBWTAGI-UHFFFAOYSA-N 1 2 321.384 2.744 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331953150 234314233 /nfs/dbraw/zinc/31/42/33/234314233.db2.gz SUDQGDZSHPIVNS-GOSISDBHSA-N 1 2 324.428 2.791 20 30 DFEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000331953150 234314235 /nfs/dbraw/zinc/31/42/35/234314235.db2.gz SUDQGDZSHPIVNS-GOSISDBHSA-N 1 2 324.428 2.791 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000597787177 398695163 /nfs/dbraw/zinc/69/51/63/398695163.db2.gz YAFWIDIFLDZYLR-BRWVUGGUSA-N 1 2 320.396 2.589 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000597787178 398695177 /nfs/dbraw/zinc/69/51/77/398695177.db2.gz YAFWIDIFLDZYLR-ZACQAIPSSA-N 1 2 320.396 2.589 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597799656 398697815 /nfs/dbraw/zinc/69/78/15/398697815.db2.gz NDCOBQZWWXFRHH-KGLIPLIRSA-N 1 2 316.405 2.562 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000597856146 398705191 /nfs/dbraw/zinc/70/51/91/398705191.db2.gz DMORCVGRBOZTHG-UHFFFAOYSA-N 1 2 321.384 2.940 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000597856146 398705195 /nfs/dbraw/zinc/70/51/95/398705195.db2.gz DMORCVGRBOZTHG-UHFFFAOYSA-N 1 2 321.384 2.940 20 30 DFEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590955504 398707421 /nfs/dbraw/zinc/70/74/21/398707421.db2.gz AMLWTJFDBHOHBM-SECBINFHSA-N 1 2 300.318 2.922 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000590956038 398708003 /nfs/dbraw/zinc/70/80/03/398708003.db2.gz IAYMEOVQKXYGKH-SFHVURJKSA-N 1 2 308.385 2.975 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000590956038 398708005 /nfs/dbraw/zinc/70/80/05/398708005.db2.gz IAYMEOVQKXYGKH-SFHVURJKSA-N 1 2 308.385 2.975 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000593961549 398708644 /nfs/dbraw/zinc/70/86/44/398708644.db2.gz GWBSHQSWIOSBHW-CYBMUJFWSA-N 1 2 308.385 2.837 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000590970787 398710857 /nfs/dbraw/zinc/71/08/57/398710857.db2.gz IYVWUGNALIZXFR-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000590970787 398710862 /nfs/dbraw/zinc/71/08/62/398710862.db2.gz IYVWUGNALIZXFR-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO CCn1cnnc1[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591030319 398717851 /nfs/dbraw/zinc/71/78/51/398717851.db2.gz SXEZGMBQLVOWOC-OAHLLOKOSA-N 1 2 317.437 2.535 20 30 DFEDLO CCn1cnnc1[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591030319 398717854 /nfs/dbraw/zinc/71/78/54/398717854.db2.gz SXEZGMBQLVOWOC-OAHLLOKOSA-N 1 2 317.437 2.535 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCc1ccc(F)cc1 ZINC000109813351 398719271 /nfs/dbraw/zinc/71/92/71/398719271.db2.gz DBJZVINTVWJMKM-UHFFFAOYSA-N 1 2 319.424 2.746 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCc1ccc(F)cc1 ZINC000109813351 398719273 /nfs/dbraw/zinc/71/92/73/398719273.db2.gz DBJZVINTVWJMKM-UHFFFAOYSA-N 1 2 319.424 2.746 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000594009795 398720363 /nfs/dbraw/zinc/72/03/63/398720363.db2.gz KNJFAIXMVJCRHK-QAPCUYQASA-N 1 2 317.433 2.790 20 30 DFEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000594029489 398725663 /nfs/dbraw/zinc/72/56/63/398725663.db2.gz XCHWSIRAOSDGBG-QGZVFWFLSA-N 1 2 310.401 2.949 20 30 DFEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)CC(F)(F)F ZINC000591193355 398738506 /nfs/dbraw/zinc/73/85/06/398738506.db2.gz OTBQZMNIJPZUIA-SECBINFHSA-N 1 2 312.299 2.740 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC(CC#N)C1 ZINC000598030619 398740429 /nfs/dbraw/zinc/74/04/29/398740429.db2.gz SOROBAKYIROOCE-UHFFFAOYSA-N 1 2 310.401 2.751 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000591322693 398748765 /nfs/dbraw/zinc/74/87/65/398748765.db2.gz IFTNJRAEWQJWMK-DOTOQJQBSA-N 1 2 320.396 2.511 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC000591316047 398748112 /nfs/dbraw/zinc/74/81/12/398748112.db2.gz UPHHOELBDQWQKD-QGZVFWFLSA-N 1 2 308.385 2.729 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1nc[nH+]c2c1OCCN2 ZINC000591370716 398753923 /nfs/dbraw/zinc/75/39/23/398753923.db2.gz HABKHHFOSCNNLO-CQSZACIVSA-N 1 2 307.357 2.642 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1[nH+]cnc2c1OCCN2 ZINC000591370716 398753925 /nfs/dbraw/zinc/75/39/25/398753925.db2.gz HABKHHFOSCNNLO-CQSZACIVSA-N 1 2 307.357 2.642 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1F ZINC000047725599 398759021 /nfs/dbraw/zinc/75/90/21/398759021.db2.gz FDCFXQFWWVQICK-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1F ZINC000047725599 398759022 /nfs/dbraw/zinc/75/90/22/398759022.db2.gz FDCFXQFWWVQICK-UHFFFAOYSA-N 1 2 317.408 2.922 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000281383040 334982096 /nfs/dbraw/zinc/98/20/96/334982096.db2.gz NUJKSHOSNJSQFQ-PBHICJAKSA-N 1 2 310.401 2.890 20 30 DFEDLO N#Cc1ccc(N2CCCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302216065 283156475 /nfs/dbraw/zinc/15/64/75/283156475.db2.gz JGMXPALYTFFLJB-UHFFFAOYSA-N 1 2 323.356 2.578 20 30 DFEDLO N#CCCCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000594209079 398766546 /nfs/dbraw/zinc/76/65/46/398766546.db2.gz KITYUJBXINXDMW-YFHOEESVSA-N 1 2 311.429 2.928 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000074918583 398775244 /nfs/dbraw/zinc/77/52/44/398775244.db2.gz JFCBKIZHGBRRKP-CZUORRHYSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594285712 398779077 /nfs/dbraw/zinc/77/90/77/398779077.db2.gz APSFSMFQCNBJKA-GFCCVEGCSA-N 1 2 300.337 2.674 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000594285712 398779079 /nfs/dbraw/zinc/77/90/79/398779079.db2.gz APSFSMFQCNBJKA-GFCCVEGCSA-N 1 2 300.337 2.674 20 30 DFEDLO Cc1nc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)sc1C ZINC000591822234 398792016 /nfs/dbraw/zinc/79/20/16/398792016.db2.gz LIUXKXMGSMMENU-UHFFFAOYSA-N 1 2 313.430 2.662 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000049637290 398796644 /nfs/dbraw/zinc/79/66/44/398796644.db2.gz KHHHZYAAJUXOAE-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO C[C@@]1(C#N)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598416513 398809494 /nfs/dbraw/zinc/80/94/94/398809494.db2.gz BRBSMWKVYQUMES-QAPCUYQASA-N 1 2 308.385 2.694 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1F ZINC000594511885 398813248 /nfs/dbraw/zinc/81/32/48/398813248.db2.gz QZKTZRXTRZVKPA-YGRLFVJLSA-N 1 2 315.352 2.518 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000179525302 199050419 /nfs/dbraw/zinc/05/04/19/199050419.db2.gz AOSGTRLYBUIUMX-QPJJXVBHSA-N 1 2 307.397 2.982 20 30 DFEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)o1 ZINC000179603097 199062814 /nfs/dbraw/zinc/06/28/14/199062814.db2.gz STWDACHIUCHUMZ-UHFFFAOYSA-N 1 2 313.357 2.620 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)o1 ZINC000179603097 199062816 /nfs/dbraw/zinc/06/28/16/199062816.db2.gz STWDACHIUCHUMZ-UHFFFAOYSA-N 1 2 313.357 2.620 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)nc1 ZINC000179985745 199103153 /nfs/dbraw/zinc/10/31/53/199103153.db2.gz DYTDQUKHWIGKQM-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000076010624 398832939 /nfs/dbraw/zinc/83/29/39/398832939.db2.gz PSUMHJHFUDJTNH-HNNXBMFYSA-N 1 2 320.458 2.879 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000076010624 398832943 /nfs/dbraw/zinc/83/29/43/398832943.db2.gz PSUMHJHFUDJTNH-HNNXBMFYSA-N 1 2 320.458 2.879 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C#N)cc1 ZINC000076077414 398837900 /nfs/dbraw/zinc/83/79/00/398837900.db2.gz HPVMVFLYBHUBDE-CJNGLKHVSA-N 1 2 323.400 2.932 20 30 DFEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)CC(C)(C)C#N)CCCC1 ZINC000598596697 398838707 /nfs/dbraw/zinc/83/87/07/398838707.db2.gz SWBLMEGHBZPVOU-ZDUSSCGKSA-N 1 2 310.438 2.531 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)cn1 ZINC000598624454 398843258 /nfs/dbraw/zinc/84/32/58/398843258.db2.gz COYBEDAOUJTYMH-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)cn1 ZINC000598624454 398843261 /nfs/dbraw/zinc/84/32/61/398843261.db2.gz COYBEDAOUJTYMH-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000076153575 398843652 /nfs/dbraw/zinc/84/36/52/398843652.db2.gz KXGQZPFEMZNTEH-JKSUJKDBSA-N 1 2 310.353 2.617 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000076153575 398843653 /nfs/dbraw/zinc/84/36/53/398843653.db2.gz KXGQZPFEMZNTEH-JKSUJKDBSA-N 1 2 310.353 2.617 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CCCC1 ZINC000076153651 398843816 /nfs/dbraw/zinc/84/38/16/398843816.db2.gz TWGXYIQUWGHVEF-ROUUACIJSA-N 1 2 311.429 2.817 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000076153651 398843819 /nfs/dbraw/zinc/84/38/19/398843819.db2.gz TWGXYIQUWGHVEF-ROUUACIJSA-N 1 2 311.429 2.817 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1CO ZINC000598645290 398847065 /nfs/dbraw/zinc/84/70/65/398847065.db2.gz CBBCBFOEIRNRET-SMDDNHRTSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1CO ZINC000598645290 398847068 /nfs/dbraw/zinc/84/70/68/398847068.db2.gz CBBCBFOEIRNRET-SMDDNHRTSA-N 1 2 323.234 2.771 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1C ZINC000594713162 398847433 /nfs/dbraw/zinc/84/74/33/398847433.db2.gz YQTCROUPTPCZFT-SFHVURJKSA-N 1 2 308.381 2.913 20 30 DFEDLO C[C@@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)N(C)CCC#N ZINC000598651159 398848443 /nfs/dbraw/zinc/84/84/43/398848443.db2.gz WSFSXIYKBUXSCX-YPMHNXCESA-N 1 2 301.381 2.551 20 30 DFEDLO C[C@H](CC#N)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000594733764 398851306 /nfs/dbraw/zinc/85/13/06/398851306.db2.gz DYVWQNRPWWCSSD-UKRRQHHQSA-N 1 2 312.373 2.660 20 30 DFEDLO C[C@H](CC#N)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000594733764 398851308 /nfs/dbraw/zinc/85/13/08/398851308.db2.gz DYVWQNRPWWCSSD-UKRRQHHQSA-N 1 2 312.373 2.660 20 30 DFEDLO N#CC1(c2ccc(C[NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)cc2)CC1 ZINC000594944807 398878357 /nfs/dbraw/zinc/87/83/57/398878357.db2.gz CPUGHIKUDIJUOV-HNNXBMFYSA-N 1 2 323.400 2.501 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276361751 212829753 /nfs/dbraw/zinc/82/97/53/212829753.db2.gz RXDHDCPYXHUMRZ-ZBFHGGJFSA-N 1 2 303.406 2.525 20 30 DFEDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186892551 200027488 /nfs/dbraw/zinc/02/74/88/200027488.db2.gz ZVZDZODHZAARRH-UHFFFAOYSA-N 1 2 305.809 2.654 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000187172644 200071745 /nfs/dbraw/zinc/07/17/45/200071745.db2.gz QVKDXBWHAUCMTH-UHFFFAOYSA-N 1 2 301.777 2.601 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000187172644 200071746 /nfs/dbraw/zinc/07/17/46/200071746.db2.gz QVKDXBWHAUCMTH-UHFFFAOYSA-N 1 2 301.777 2.601 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000077790454 398925161 /nfs/dbraw/zinc/92/51/61/398925161.db2.gz UMNZQNVXBQWYKG-UHFFFAOYSA-N 1 2 308.813 2.624 20 30 DFEDLO C=C(Cl)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000077790012 398925508 /nfs/dbraw/zinc/92/55/08/398925508.db2.gz ZWBPRYRMCVYXRT-UHFFFAOYSA-N 1 2 306.797 2.787 20 30 DFEDLO C=CCC[C@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000189011470 200335368 /nfs/dbraw/zinc/33/53/68/200335368.db2.gz RXINMUDAZVKJAT-SFHVURJKSA-N 1 2 316.445 2.527 20 30 DFEDLO N#CCCN1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595391400 398931381 /nfs/dbraw/zinc/93/13/81/398931381.db2.gz KAZFKLJVPCLBDV-UHFFFAOYSA-N 1 2 311.401 2.588 20 30 DFEDLO C/C=C/C[C@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000599201313 398938864 /nfs/dbraw/zinc/93/88/64/398938864.db2.gz IXICBKUDJIUPPB-HSWBROFVSA-N 1 2 310.405 2.923 20 30 DFEDLO C=CC[N@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595500237 398951190 /nfs/dbraw/zinc/95/11/90/398951190.db2.gz CNXQVCFMJLAPPL-OAHLLOKOSA-N 1 2 301.415 2.891 20 30 DFEDLO C=CC[N@@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595500237 398951192 /nfs/dbraw/zinc/95/11/92/398951192.db2.gz CNXQVCFMJLAPPL-OAHLLOKOSA-N 1 2 301.415 2.891 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599306673 398951533 /nfs/dbraw/zinc/95/15/33/398951533.db2.gz AJZKJLMBUGMYPC-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599306673 398951535 /nfs/dbraw/zinc/95/15/35/398951535.db2.gz AJZKJLMBUGMYPC-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO C=CCCSCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000595518207 398955169 /nfs/dbraw/zinc/95/51/69/398955169.db2.gz SKOOWNJXODKGOM-UHFFFAOYSA-N 1 2 318.446 2.751 20 30 DFEDLO COC(=O)C1([N@H+](Cc2ccc(OC)c(C#N)c2)C2CC2)CCC1 ZINC000595542032 398962884 /nfs/dbraw/zinc/96/28/84/398962884.db2.gz MEFMXYXLQSADEX-UHFFFAOYSA-N 1 2 314.385 2.627 20 30 DFEDLO COC(=O)C1([N@@H+](Cc2ccc(OC)c(C#N)c2)C2CC2)CCC1 ZINC000595542032 398962888 /nfs/dbraw/zinc/96/28/88/398962888.db2.gz MEFMXYXLQSADEX-UHFFFAOYSA-N 1 2 314.385 2.627 20 30 DFEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC(C)C ZINC000078527424 398964540 /nfs/dbraw/zinc/96/45/40/398964540.db2.gz DIZVJQUQLPAYKD-UHFFFAOYSA-N 1 2 317.433 2.514 20 30 DFEDLO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000193267638 201017169 /nfs/dbraw/zinc/01/71/69/201017169.db2.gz QELOZWRISQHJGD-CYBMUJFWSA-N 1 2 306.431 2.518 20 30 DFEDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C#N)cs2)[C@@H]1C ZINC000595561981 398972651 /nfs/dbraw/zinc/97/26/51/398972651.db2.gz HEZUSWMZSRUMRR-DMDPSCGWSA-N 1 2 307.419 2.567 20 30 DFEDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C#N)cs2)[C@@H]1C ZINC000595561981 398972657 /nfs/dbraw/zinc/97/26/57/398972657.db2.gz HEZUSWMZSRUMRR-DMDPSCGWSA-N 1 2 307.419 2.567 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCSC(C)(C)C1 ZINC000083416186 291276662 /nfs/dbraw/zinc/27/66/62/291276662.db2.gz XIXBOLJUWYOPRZ-CQSZACIVSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)C1 ZINC000083416186 291276663 /nfs/dbraw/zinc/27/66/63/291276663.db2.gz XIXBOLJUWYOPRZ-CQSZACIVSA-N 1 2 304.415 2.600 20 30 DFEDLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595609322 398997145 /nfs/dbraw/zinc/99/71/45/398997145.db2.gz IPYKIWULOFHIRD-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595609322 398997151 /nfs/dbraw/zinc/99/71/51/398997151.db2.gz IPYKIWULOFHIRD-CYBMUJFWSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595609330 398997915 /nfs/dbraw/zinc/99/79/15/398997915.db2.gz IPYKIWULOFHIRD-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595609330 398997918 /nfs/dbraw/zinc/99/79/18/398997918.db2.gz IPYKIWULOFHIRD-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611879 398999744 /nfs/dbraw/zinc/99/97/44/398999744.db2.gz OIYNVLKMHGCEGA-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611879 398999753 /nfs/dbraw/zinc/99/97/53/398999753.db2.gz OIYNVLKMHGCEGA-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595616553 399002466 /nfs/dbraw/zinc/00/24/66/399002466.db2.gz RUPVQLHKAXSMRA-JSGCOSHPSA-N 1 2 314.389 2.721 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c(C#N)c1C ZINC000595616553 399002474 /nfs/dbraw/zinc/00/24/74/399002474.db2.gz RUPVQLHKAXSMRA-JSGCOSHPSA-N 1 2 314.389 2.721 20 30 DFEDLO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621040 399005720 /nfs/dbraw/zinc/00/57/20/399005720.db2.gz RMFMVCUDJLWTNV-GFCCVEGCSA-N 1 2 306.435 2.578 20 30 DFEDLO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621040 399005722 /nfs/dbraw/zinc/00/57/22/399005722.db2.gz RMFMVCUDJLWTNV-GFCCVEGCSA-N 1 2 306.435 2.578 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536840 399006552 /nfs/dbraw/zinc/00/65/52/399006552.db2.gz UMOBCJURHWGJEV-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536840 399006557 /nfs/dbraw/zinc/00/65/57/399006557.db2.gz UMOBCJURHWGJEV-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)o1 ZINC000600208416 399006653 /nfs/dbraw/zinc/00/66/53/399006653.db2.gz LFDQHNZQKDJVAU-UHFFFAOYSA-N 1 2 320.396 2.950 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621739 399006673 /nfs/dbraw/zinc/00/66/73/399006673.db2.gz YANPJJLEQRXWRU-YPMHNXCESA-N 1 2 306.435 2.713 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)sc1C ZINC000595621739 399006677 /nfs/dbraw/zinc/00/66/77/399006677.db2.gz YANPJJLEQRXWRU-YPMHNXCESA-N 1 2 306.435 2.713 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)nc1 ZINC000595630425 399010784 /nfs/dbraw/zinc/01/07/84/399010784.db2.gz XYJSKBKIHDMQJD-UHFFFAOYSA-N 1 2 312.442 2.899 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000599550043 399012534 /nfs/dbraw/zinc/01/25/34/399012534.db2.gz VSPFSFYWDJWTGA-RYUDHWBXSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000599550043 399012539 /nfs/dbraw/zinc/01/25/39/399012539.db2.gz VSPFSFYWDJWTGA-RYUDHWBXSA-N 1 2 302.349 2.663 20 30 DFEDLO C=CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638906 399013568 /nfs/dbraw/zinc/01/35/68/399013568.db2.gz OFPZXMYGQRRZFM-NSHDSACASA-N 1 2 312.341 2.765 20 30 DFEDLO C=CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638906 399013574 /nfs/dbraw/zinc/01/35/74/399013574.db2.gz OFPZXMYGQRRZFM-NSHDSACASA-N 1 2 312.341 2.765 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553439 399013771 /nfs/dbraw/zinc/01/37/71/399013771.db2.gz URYYMWRRLVGXNT-OWCLPIDISA-N 1 2 316.426 2.742 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553439 399013774 /nfs/dbraw/zinc/01/37/74/399013774.db2.gz URYYMWRRLVGXNT-OWCLPIDISA-N 1 2 316.426 2.742 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000595674297 399029324 /nfs/dbraw/zinc/02/93/24/399029324.db2.gz ISNAXBHUAGYAAX-MRXNPFEDSA-N 1 2 313.401 2.759 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000595674297 399029327 /nfs/dbraw/zinc/02/93/27/399029327.db2.gz ISNAXBHUAGYAAX-MRXNPFEDSA-N 1 2 313.401 2.759 20 30 DFEDLO Cc1ccn2cc(CNC(=O)/C=C\c3cccc(C#N)c3)[nH+]c2c1 ZINC000057255536 399029580 /nfs/dbraw/zinc/02/95/80/399029580.db2.gz VRICWWOPOQZGRY-WAYWQWQTSA-N 1 2 316.364 2.844 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595687382 399035401 /nfs/dbraw/zinc/03/54/01/399035401.db2.gz CBDRZAXATLZBPQ-MAZHCROVSA-N 1 2 301.365 2.603 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000595689556 399036915 /nfs/dbraw/zinc/03/69/15/399036915.db2.gz MNBXSOFKLPTZFS-CMPLNLGQSA-N 1 2 314.311 2.590 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000595693139 399038021 /nfs/dbraw/zinc/03/80/21/399038021.db2.gz SAYCXWJSXZEYCP-CFVMTHIKSA-N 1 2 301.365 2.603 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)c1nnnn1C1CCCCC1 ZINC000595694523 399038264 /nfs/dbraw/zinc/03/82/64/399038264.db2.gz OCTNGGBXTUDFOQ-KCQAQPDRSA-N 1 2 302.426 2.911 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000595698969 399042395 /nfs/dbraw/zinc/04/23/95/399042395.db2.gz PYOWFYZXDHLEJS-KGLIPLIRSA-N 1 2 315.442 2.797 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595702161 399044213 /nfs/dbraw/zinc/04/42/13/399044213.db2.gz HFPQPYMUASYUOG-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595702161 399044218 /nfs/dbraw/zinc/04/42/18/399044218.db2.gz HFPQPYMUASYUOG-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000595704138 399045967 /nfs/dbraw/zinc/04/59/67/399045967.db2.gz QQLDEJOBROZTPT-VXGBXAGGSA-N 1 2 314.414 2.907 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599663821 399051306 /nfs/dbraw/zinc/05/13/06/399051306.db2.gz KLLJNKUVXMSKGU-CQSZACIVSA-N 1 2 323.400 2.696 20 30 DFEDLO C=CCCSCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000595724785 399055239 /nfs/dbraw/zinc/05/52/39/399055239.db2.gz QAVPHDGYFVAUEU-OAHLLOKOSA-N 1 2 321.446 2.554 20 30 DFEDLO C=C(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275286096 212250465 /nfs/dbraw/zinc/25/04/65/212250465.db2.gz XDCDIVMPSKFXCA-AWEZNQCLSA-N 1 2 303.406 2.777 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599684508 399062034 /nfs/dbraw/zinc/06/20/34/399062034.db2.gz QFGACBOVRXNDKL-COLVAYQJSA-N 1 2 321.218 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599684508 399062036 /nfs/dbraw/zinc/06/20/36/399062036.db2.gz QFGACBOVRXNDKL-COLVAYQJSA-N 1 2 321.218 2.666 20 30 DFEDLO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755654 399070566 /nfs/dbraw/zinc/07/05/66/399070566.db2.gz CIGIXNPNNVFAMG-UKRRQHHQSA-N 1 2 321.218 2.789 20 30 DFEDLO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC000595755654 399070571 /nfs/dbraw/zinc/07/05/71/399070571.db2.gz CIGIXNPNNVFAMG-UKRRQHHQSA-N 1 2 321.218 2.789 20 30 DFEDLO N#Cc1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000079651581 399072199 /nfs/dbraw/zinc/07/21/99/399072199.db2.gz RORMYQCSSZAJIC-HNNXBMFYSA-N 1 2 306.369 2.808 20 30 DFEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000595759676 399074355 /nfs/dbraw/zinc/07/43/55/399074355.db2.gz MORZJGBBCVIBRH-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000595759676 399074358 /nfs/dbraw/zinc/07/43/58/399074358.db2.gz MORZJGBBCVIBRH-UHFFFAOYSA-N 1 2 321.380 2.564 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000595787005 399085308 /nfs/dbraw/zinc/08/53/08/399085308.db2.gz RZEBJPCLLSPOAT-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000595787005 399085314 /nfs/dbraw/zinc/08/53/14/399085314.db2.gz RZEBJPCLLSPOAT-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO CCN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000595838520 399106305 /nfs/dbraw/zinc/10/63/05/399106305.db2.gz VXCSKQWWZTUIRN-KBXCAEBGSA-N 1 2 317.408 2.971 20 30 DFEDLO CCN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)[C@@H](C)c1ccc(F)cc1 ZINC000595838520 399106313 /nfs/dbraw/zinc/10/63/13/399106313.db2.gz VXCSKQWWZTUIRN-KBXCAEBGSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834529 399105884 /nfs/dbraw/zinc/10/58/84/399105884.db2.gz LUVBMUOWOXSRKW-MLGOLLRUSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834529 399105886 /nfs/dbraw/zinc/10/58/86/399105886.db2.gz LUVBMUOWOXSRKW-MLGOLLRUSA-N 1 2 305.809 2.580 20 30 DFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836504 399106749 /nfs/dbraw/zinc/10/67/49/399106749.db2.gz ZBNLBZBQKSARSR-LJQANCHMSA-N 1 2 313.445 2.969 20 30 DFEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836504 399106755 /nfs/dbraw/zinc/10/67/55/399106755.db2.gz ZBNLBZBQKSARSR-LJQANCHMSA-N 1 2 313.445 2.969 20 30 DFEDLO C=CCn1c(SCc2[nH+]ccn2C)nc2sccc2c1=O ZINC000059337824 399109571 /nfs/dbraw/zinc/10/95/71/399109571.db2.gz DHACYUKIYHOJGG-UHFFFAOYSA-N 1 2 318.427 2.670 20 30 DFEDLO C[C@]1(C#N)CCN(Cc2cncc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842486 399109453 /nfs/dbraw/zinc/10/94/53/399109453.db2.gz RVTRWXYZVSGILT-RTBURBONSA-N 1 2 323.444 2.553 20 30 DFEDLO C[C@]1(C#N)CCN(Cc2cncc(C[N@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595842486 399109460 /nfs/dbraw/zinc/10/94/60/399109460.db2.gz RVTRWXYZVSGILT-RTBURBONSA-N 1 2 323.444 2.553 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000093416626 193246249 /nfs/dbraw/zinc/24/62/49/193246249.db2.gz OVTNPMFFZIJSQU-UHFFFAOYSA-N 1 2 321.343 2.638 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1=CCSC1 ZINC000595889240 399124033 /nfs/dbraw/zinc/12/40/33/399124033.db2.gz SNOJERVCXUZQKE-UHFFFAOYSA-N 1 2 312.398 2.713 20 30 DFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1=CCSC1 ZINC000595889240 399124038 /nfs/dbraw/zinc/12/40/38/399124038.db2.gz SNOJERVCXUZQKE-UHFFFAOYSA-N 1 2 312.398 2.713 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595892555 399125839 /nfs/dbraw/zinc/12/58/39/399125839.db2.gz SYNIRPOPQIDCGK-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595892555 399125843 /nfs/dbraw/zinc/12/58/43/399125843.db2.gz SYNIRPOPQIDCGK-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810095 193310140 /nfs/dbraw/zinc/31/01/40/193310140.db2.gz DUVXJGHIXBYOTK-QGZVFWFLSA-N 1 2 310.401 2.554 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810095 193310143 /nfs/dbraw/zinc/31/01/43/193310143.db2.gz DUVXJGHIXBYOTK-QGZVFWFLSA-N 1 2 310.401 2.554 20 30 DFEDLO CC(C)n1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000178868090 399127740 /nfs/dbraw/zinc/12/77/40/399127740.db2.gz WGQQPDWZFOOTQD-IBGZPJMESA-N 1 2 323.444 2.846 20 30 DFEDLO Cc1ccc([C@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)o1 ZINC000093864780 193320707 /nfs/dbraw/zinc/32/07/07/193320707.db2.gz XNDYBXPDHHKWQR-QGZVFWFLSA-N 1 2 322.368 2.681 20 30 DFEDLO C[C@H](N1CC[NH+](Cc2cc(C#N)cs2)CC1)C(F)(F)F ZINC000093883680 193322850 /nfs/dbraw/zinc/32/28/50/193322850.db2.gz KVDQTUVFFPGPRK-JTQLQIEISA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000263711785 203525426 /nfs/dbraw/zinc/52/54/26/203525426.db2.gz QRFFQUQJJFREOB-LBPRGKRZSA-N 1 2 314.393 2.521 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916013 399135281 /nfs/dbraw/zinc/13/52/81/399135281.db2.gz KJFPMNMJNUKSOE-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595916013 399135286 /nfs/dbraw/zinc/13/52/86/399135286.db2.gz KJFPMNMJNUKSOE-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)c(F)c1 ZINC000274907285 212024553 /nfs/dbraw/zinc/02/45/53/212024553.db2.gz VESRQVFNRXYUJV-HNNXBMFYSA-N 1 2 305.332 2.693 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000595919014 399136989 /nfs/dbraw/zinc/13/69/89/399136989.db2.gz PZCIFZNGKCVIIE-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000595919014 399136990 /nfs/dbraw/zinc/13/69/90/399136990.db2.gz PZCIFZNGKCVIIE-BDJLRTHQSA-N 1 2 310.344 2.811 20 30 DFEDLO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000181708727 399140546 /nfs/dbraw/zinc/14/05/46/399140546.db2.gz VQPDAORHWQVGES-YFKPBYRVSA-N 1 2 319.167 2.726 20 30 DFEDLO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000181708727 399140551 /nfs/dbraw/zinc/14/05/51/399140551.db2.gz VQPDAORHWQVGES-YFKPBYRVSA-N 1 2 319.167 2.726 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181388733 399139625 /nfs/dbraw/zinc/13/96/25/399139625.db2.gz RUEYPWOVULKINF-OAHLLOKOSA-N 1 2 302.422 2.658 20 30 DFEDLO CC(=O)N1CC[N@H+](CC#Cc2cccc(Cl)c2)C(C)(C)C1 ZINC000182178136 399143347 /nfs/dbraw/zinc/14/33/47/399143347.db2.gz UXENXWPKULIBLJ-UHFFFAOYSA-N 1 2 304.821 2.634 20 30 DFEDLO CC(=O)N1CC[N@@H+](CC#Cc2cccc(Cl)c2)C(C)(C)C1 ZINC000182178136 399143350 /nfs/dbraw/zinc/14/33/50/399143350.db2.gz UXENXWPKULIBLJ-UHFFFAOYSA-N 1 2 304.821 2.634 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)c(C#N)c1 ZINC000600776011 399142055 /nfs/dbraw/zinc/14/20/55/399142055.db2.gz KXLAGKZMNSZSFM-UHFFFAOYSA-N 1 2 320.396 2.630 20 30 DFEDLO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000596069573 399162626 /nfs/dbraw/zinc/16/26/26/399162626.db2.gz MPDCSYPXHGWWNE-ZDUSSCGKSA-N 1 2 312.360 2.569 20 30 DFEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278172390 214003214 /nfs/dbraw/zinc/00/32/14/214003214.db2.gz UVVPZYHDWVUOTG-MELADBBJSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278172390 214003217 /nfs/dbraw/zinc/00/32/17/214003217.db2.gz UVVPZYHDWVUOTG-MELADBBJSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCOc1cccc(C[N@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000193489974 399177010 /nfs/dbraw/zinc/17/70/10/399177010.db2.gz CCJKRJFVSRYKHR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000193489974 399177013 /nfs/dbraw/zinc/17/70/13/399177013.db2.gz CCJKRJFVSRYKHR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000271708094 209143610 /nfs/dbraw/zinc/14/36/10/209143610.db2.gz IMZHMCKZHXXCFL-GFCCVEGCSA-N 1 2 319.405 2.596 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000063388318 399186477 /nfs/dbraw/zinc/18/64/77/399186477.db2.gz JUKJFNHCQFHHOY-INIZCTEOSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000063388318 399186485 /nfs/dbraw/zinc/18/64/85/399186485.db2.gz JUKJFNHCQFHHOY-INIZCTEOSA-N 1 2 311.429 2.805 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(C#N)ccn1 ZINC000288317258 220081173 /nfs/dbraw/zinc/08/11/73/220081173.db2.gz XJFMATUVJJKWAB-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581654 399195499 /nfs/dbraw/zinc/19/54/99/399195499.db2.gz GONDNKNHUWZVRY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581654 399195503 /nfs/dbraw/zinc/19/55/03/399195503.db2.gz GONDNKNHUWZVRY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016591553 182051077 /nfs/dbraw/zinc/05/10/77/182051077.db2.gz PTCBYARLQVHJGB-GFCCVEGCSA-N 1 2 311.307 2.771 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016591553 182051078 /nfs/dbraw/zinc/05/10/78/182051078.db2.gz PTCBYARLQVHJGB-GFCCVEGCSA-N 1 2 311.307 2.771 20 30 DFEDLO O[C@@H](C[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000192073852 335023188 /nfs/dbraw/zinc/02/31/88/335023188.db2.gz FOPUMDGZRFCQSE-RTWAWAEBSA-N 1 2 321.420 2.863 20 30 DFEDLO O[C@@H](C[C@@H]1COCC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000192073852 335023189 /nfs/dbraw/zinc/02/31/89/335023189.db2.gz FOPUMDGZRFCQSE-RTWAWAEBSA-N 1 2 321.420 2.863 20 30 DFEDLO Cc1[nH]c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2[nH+]1 ZINC000064722690 399230684 /nfs/dbraw/zinc/23/06/84/399230684.db2.gz WVBKKUXRIHAPAY-UHFFFAOYSA-N 1 2 305.341 2.794 20 30 DFEDLO N#Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc(C2CC2)n1 ZINC000601111848 399231230 /nfs/dbraw/zinc/23/12/30/399231230.db2.gz YJCQCYRUGHYUIP-ZDUSSCGKSA-N 1 2 320.400 2.559 20 30 DFEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000192237855 335024082 /nfs/dbraw/zinc/02/40/82/335024082.db2.gz JMHWVAURHLVERI-MNOVXSKESA-N 1 2 315.442 2.735 20 30 DFEDLO C#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000192237855 335024083 /nfs/dbraw/zinc/02/40/83/335024083.db2.gz JMHWVAURHLVERI-MNOVXSKESA-N 1 2 315.442 2.735 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000192234008 335024087 /nfs/dbraw/zinc/02/40/87/335024087.db2.gz KKAYZIVVLKWZTQ-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000192234008 335024088 /nfs/dbraw/zinc/02/40/88/335024088.db2.gz KKAYZIVVLKWZTQ-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO Oc1cccc(CN2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000192108699 335026171 /nfs/dbraw/zinc/02/61/71/335026171.db2.gz RIBDOEIHLLUIBA-UHFFFAOYSA-N 1 2 306.409 2.562 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)nc1 ZINC000618905470 399255366 /nfs/dbraw/zinc/25/53/66/399255366.db2.gz DQHPIQPJTWPXIZ-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)nc1 ZINC000618905470 399255368 /nfs/dbraw/zinc/25/53/68/399255368.db2.gz DQHPIQPJTWPXIZ-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000286646589 335036421 /nfs/dbraw/zinc/03/64/21/335036421.db2.gz WENCLSDAERLZIX-UHFFFAOYSA-N 1 2 320.383 2.626 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286645859 335036501 /nfs/dbraw/zinc/03/65/01/335036501.db2.gz CLMPNFTZCFNUSL-MRXNPFEDSA-N 1 2 317.433 2.772 20 30 DFEDLO N#Cc1cccc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601240499 399262434 /nfs/dbraw/zinc/26/24/34/399262434.db2.gz JIPXXDAVRXIKFB-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608436150 399263680 /nfs/dbraw/zinc/26/36/80/399263680.db2.gz HDQKHYMHJLCRPH-HOCLYGCPSA-N 1 2 312.417 2.968 20 30 DFEDLO COC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000601315988 399275596 /nfs/dbraw/zinc/27/55/96/399275596.db2.gz FDSLKKXSASIQNB-MRXNPFEDSA-N 1 2 307.825 2.559 20 30 DFEDLO CC[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1[nH]cc[nH+]1 ZINC000614923138 399281505 /nfs/dbraw/zinc/28/15/05/399281505.db2.gz IZQCBDNXNYXVAI-CYBMUJFWSA-N 1 2 307.357 2.769 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000041106034 183166020 /nfs/dbraw/zinc/16/60/20/183166020.db2.gz JWKPMOQUOKHVAQ-UHFFFAOYSA-N 1 2 321.424 2.755 20 30 DFEDLO CC1(C)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C#N ZINC000601532497 399296806 /nfs/dbraw/zinc/29/68/06/399296806.db2.gz CTIZNWRMNJHMRC-KRWDZBQOSA-N 1 2 322.412 2.956 20 30 DFEDLO Cc1csc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)n1 ZINC000609039164 399302953 /nfs/dbraw/zinc/30/29/53/399302953.db2.gz RKAXNCRHWJTFFU-JTQLQIEISA-N 1 2 313.390 2.678 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609145909 399306368 /nfs/dbraw/zinc/30/63/68/399306368.db2.gz WEUUNLJBDWVUIS-CQSZACIVSA-N 1 2 321.380 2.952 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609145909 399306369 /nfs/dbraw/zinc/30/63/69/399306369.db2.gz WEUUNLJBDWVUIS-CQSZACIVSA-N 1 2 321.380 2.952 20 30 DFEDLO C=CCCSCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601664022 399317204 /nfs/dbraw/zinc/31/72/04/399317204.db2.gz KNKBHSLNSZGYPV-UHFFFAOYSA-N 1 2 315.442 2.840 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c(C#N)c1C ZINC000609540400 399322435 /nfs/dbraw/zinc/32/24/35/399322435.db2.gz UYSOXQIQCRGNTF-CYBMUJFWSA-N 1 2 313.357 2.789 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c(C#N)c1C ZINC000609540400 399322437 /nfs/dbraw/zinc/32/24/37/399322437.db2.gz UYSOXQIQCRGNTF-CYBMUJFWSA-N 1 2 313.357 2.789 20 30 DFEDLO CCN(CCC(F)(F)F)c1[nH+]cnc2c1cnn2CCC#N ZINC000609585923 399325030 /nfs/dbraw/zinc/32/50/30/399325030.db2.gz YMLPERFMUNHUDH-UHFFFAOYSA-N 1 2 312.299 2.519 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286825789 335039891 /nfs/dbraw/zinc/03/98/91/335039891.db2.gz LRBGLXDJWAYMHT-HIFRSBDPSA-N 1 2 305.422 2.606 20 30 DFEDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000104716561 194029554 /nfs/dbraw/zinc/02/95/54/194029554.db2.gz WDSKZFRXTXKYRA-GFCCVEGCSA-N 1 2 312.373 2.854 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286327 399353838 /nfs/dbraw/zinc/35/38/38/399353838.db2.gz NYVWSDVFLKIOSR-LLVKDONJSA-N 1 2 311.223 2.529 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286327 399353839 /nfs/dbraw/zinc/35/38/39/399353839.db2.gz NYVWSDVFLKIOSR-LLVKDONJSA-N 1 2 311.223 2.529 20 30 DFEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(C#N)c1 ZINC000610340391 399358314 /nfs/dbraw/zinc/35/83/14/399358314.db2.gz PYUBKCWUTKHLKE-GFCCVEGCSA-N 1 2 317.356 2.785 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)o2)c1 ZINC000610367717 399361842 /nfs/dbraw/zinc/36/18/42/399361842.db2.gz CCNVUNPTIACYPC-HZPDHXFCSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)o2)c1 ZINC000610367717 399361843 /nfs/dbraw/zinc/36/18/43/399361843.db2.gz CCNVUNPTIACYPC-HZPDHXFCSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610410215 399365064 /nfs/dbraw/zinc/36/50/64/399365064.db2.gz ITMQKHBEHBKPLQ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000610410215 399365066 /nfs/dbraw/zinc/36/50/66/399365066.db2.gz ITMQKHBEHBKPLQ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000619589423 399365598 /nfs/dbraw/zinc/36/55/98/399365598.db2.gz MVILFRYTZYLOEK-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601967437 399371423 /nfs/dbraw/zinc/37/14/23/399371423.db2.gz ITXMLVYPRQYYTA-ABAIWWIYSA-N 1 2 309.772 2.936 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000623361695 399373289 /nfs/dbraw/zinc/37/32/89/399373289.db2.gz KXBKMDAZCPVODQ-OAHLLOKOSA-N 1 2 312.417 2.952 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505478 399375326 /nfs/dbraw/zinc/37/53/26/399375326.db2.gz MEZDPAGABYHZJX-DOTOQJQBSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505478 399375329 /nfs/dbraw/zinc/37/53/29/399375329.db2.gz MEZDPAGABYHZJX-DOTOQJQBSA-N 1 2 303.381 2.627 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610514541 399376163 /nfs/dbraw/zinc/37/61/63/399376163.db2.gz PRRJRDMDIZNBLN-AWEZNQCLSA-N 1 2 305.809 2.513 20 30 DFEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000610543019 399379641 /nfs/dbraw/zinc/37/96/41/399379641.db2.gz NNMAFUGNNRSWQI-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000610543019 399379643 /nfs/dbraw/zinc/37/96/43/399379643.db2.gz NNMAFUGNNRSWQI-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000623404581 399381312 /nfs/dbraw/zinc/38/13/12/399381312.db2.gz BOECZXLGYKYOCP-OAHLLOKOSA-N 1 2 314.433 2.789 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000619719214 399382307 /nfs/dbraw/zinc/38/23/07/399382307.db2.gz MXYDTVXJZWDVSF-PBHICJAKSA-N 1 2 314.429 2.630 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000619719215 399382554 /nfs/dbraw/zinc/38/25/54/399382554.db2.gz MXYDTVXJZWDVSF-RHSMWYFYSA-N 1 2 314.429 2.630 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000619719590 399382639 /nfs/dbraw/zinc/38/26/39/399382639.db2.gz NSHOLKYQXQUFIN-CABCVRRESA-N 1 2 305.349 2.591 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000619719590 399382642 /nfs/dbraw/zinc/38/26/42/399382642.db2.gz NSHOLKYQXQUFIN-CABCVRRESA-N 1 2 305.349 2.591 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(C#N)c1 ZINC000610586490 399383371 /nfs/dbraw/zinc/38/33/71/399383371.db2.gz QVENHKLFTSPBPR-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(C#N)c1 ZINC000610586490 399383375 /nfs/dbraw/zinc/38/33/75/399383375.db2.gz QVENHKLFTSPBPR-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO CCc1c[nH]c(CC(=O)Nc2nc(C)c(SCC#N)s2)[nH+]1 ZINC000602089227 399393565 /nfs/dbraw/zinc/39/35/65/399393565.db2.gz SUZSQNNKZKPXMX-UHFFFAOYSA-N 1 2 321.431 2.534 20 30 DFEDLO N#CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCC1 ZINC000602102231 399394911 /nfs/dbraw/zinc/39/49/11/399394911.db2.gz GVVGCTZBGDKOFS-GFCCVEGCSA-N 1 2 314.311 2.671 20 30 DFEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCCCC1 ZINC000602116359 399397518 /nfs/dbraw/zinc/39/75/18/399397518.db2.gz MMUQYTQQWWCYDV-MRXNPFEDSA-N 1 2 324.384 2.780 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729944 399398481 /nfs/dbraw/zinc/39/84/81/399398481.db2.gz PZTLIANWYPPRIH-WDEREUQCSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610729944 399398484 /nfs/dbraw/zinc/39/84/84/399398484.db2.gz PZTLIANWYPPRIH-WDEREUQCSA-N 1 2 317.216 2.967 20 30 DFEDLO CCc1c[nH]c(CC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[nH+]1 ZINC000602126527 399398831 /nfs/dbraw/zinc/39/88/31/399398831.db2.gz VKAQFDDAEIREJC-UHFFFAOYSA-N 1 2 312.373 2.812 20 30 DFEDLO CC(C)C[C@H](C(=O)NCC1CCC(C#N)CC1)n1cc[nH+]c1 ZINC000602151096 399401716 /nfs/dbraw/zinc/40/17/16/399401716.db2.gz QIXBMVRNQOJUDG-UYSNPLJNSA-N 1 2 302.422 2.916 20 30 DFEDLO CC(C)C[C@@H](C(=O)NCC1CCC(C#N)CC1)n1cc[nH+]c1 ZINC000602151095 399401734 /nfs/dbraw/zinc/40/17/34/399401734.db2.gz QIXBMVRNQOJUDG-GPANFISMSA-N 1 2 302.422 2.916 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177499 399405595 /nfs/dbraw/zinc/40/55/95/399405595.db2.gz AMJAAEISVVDQJA-SDDRHHMPSA-N 1 2 314.311 2.575 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)C3(C#N)CCCCC3)sc2C1 ZINC000057427124 184038233 /nfs/dbraw/zinc/03/82/33/184038233.db2.gz JCCLQKUBAQEGPH-UHFFFAOYSA-N 1 2 304.419 2.544 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)C3(C#N)CCCCC3)sc2C1 ZINC000057427124 184038235 /nfs/dbraw/zinc/03/82/35/184038235.db2.gz JCCLQKUBAQEGPH-UHFFFAOYSA-N 1 2 304.419 2.544 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000616047306 399415794 /nfs/dbraw/zinc/41/57/94/399415794.db2.gz KOGHCTGNDIRPIU-CABZTGNLSA-N 1 2 312.200 2.990 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000616135063 399425023 /nfs/dbraw/zinc/42/50/23/399425023.db2.gz IBILDNIVFKXARC-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000616135063 399425026 /nfs/dbraw/zinc/42/50/26/399425026.db2.gz IBILDNIVFKXARC-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO COc1ccccc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000058324174 184105170 /nfs/dbraw/zinc/10/51/70/184105170.db2.gz ZUDKJQIMMKVURU-UHFFFAOYSA-N 1 2 307.397 2.889 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000058881609 184130375 /nfs/dbraw/zinc/13/03/75/184130375.db2.gz IIOXJKWBFLWILG-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000058881609 184130377 /nfs/dbraw/zinc/13/03/77/184130377.db2.gz IIOXJKWBFLWILG-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179609 399442813 /nfs/dbraw/zinc/44/28/13/399442813.db2.gz GFNXMHKTUYJRFA-SNVBAGLBSA-N 1 2 313.735 2.737 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179609 399442814 /nfs/dbraw/zinc/44/28/14/399442814.db2.gz GFNXMHKTUYJRFA-SNVBAGLBSA-N 1 2 313.735 2.737 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ccc(C#N)nn1 ZINC000611242536 399450392 /nfs/dbraw/zinc/45/03/92/399450392.db2.gz QNHVJNSHWYYUSE-HNNXBMFYSA-N 1 2 318.384 2.675 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000602474965 399455584 /nfs/dbraw/zinc/45/55/84/399455584.db2.gz JWTPWTJVPZVJOD-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000602474965 399455588 /nfs/dbraw/zinc/45/55/88/399455588.db2.gz JWTPWTJVPZVJOD-LJQANCHMSA-N 1 2 305.381 2.627 20 30 DFEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602608178 399489373 /nfs/dbraw/zinc/48/93/73/399489373.db2.gz QKOUJAJKMPYRAE-ZCFIWIBFSA-N 1 2 304.169 2.668 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578420 399496154 /nfs/dbraw/zinc/49/61/54/399496154.db2.gz CWAFMQBVNKPCSJ-YPMHNXCESA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578420 399496156 /nfs/dbraw/zinc/49/61/56/399496156.db2.gz CWAFMQBVNKPCSJ-YPMHNXCESA-N 1 2 323.343 2.589 20 30 DFEDLO COc1cc(C[NH2+]CC2(C#N)CC2)c(F)cc1Br ZINC000602642793 399499891 /nfs/dbraw/zinc/49/98/91/399499891.db2.gz NPTOTEHQKLAWIB-UHFFFAOYSA-N 1 2 313.170 2.990 20 30 DFEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)n1 ZINC000602654097 399503998 /nfs/dbraw/zinc/50/39/98/399503998.db2.gz IYOUQMWKYQYFOM-UHFFFAOYSA-N 1 2 314.433 2.566 20 30 DFEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)n1 ZINC000602654097 399504000 /nfs/dbraw/zinc/50/40/00/399504000.db2.gz IYOUQMWKYQYFOM-UHFFFAOYSA-N 1 2 314.433 2.566 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000119826600 195043992 /nfs/dbraw/zinc/04/39/92/195043992.db2.gz GQXKQUMGBZCQAN-ZDUSSCGKSA-N 1 2 324.384 2.743 20 30 DFEDLO C=CCC[C@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C(=O)OCC ZINC000602679385 399516980 /nfs/dbraw/zinc/51/69/80/399516980.db2.gz FHEKJTQIYFSWGG-GJZGRUSLSA-N 1 2 308.422 2.573 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCCn1c(C)[nH+]c2ccccc21)OCC ZINC000270154554 208216066 /nfs/dbraw/zinc/21/60/66/208216066.db2.gz WXWXVFOLWNHLJL-QGZVFWFLSA-N 1 2 315.417 2.832 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCCn1c(C)[nH+]c2ccccc21)OCC ZINC000270154553 208216384 /nfs/dbraw/zinc/21/63/84/208216384.db2.gz WXWXVFOLWNHLJL-KRWDZBQOSA-N 1 2 315.417 2.832 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625367839 399535788 /nfs/dbraw/zinc/53/57/88/399535788.db2.gz NATNORIPKUMDGM-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625367839 399535793 /nfs/dbraw/zinc/53/57/93/399535793.db2.gz NATNORIPKUMDGM-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)C(=O)OC ZINC000602735321 399547648 /nfs/dbraw/zinc/54/76/48/399547648.db2.gz UYCJGJCUXTUUFS-DYVFJYSZSA-N 1 2 315.417 2.981 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)C(=O)OC ZINC000602735628 399547989 /nfs/dbraw/zinc/54/79/89/399547989.db2.gz YSXQSNVMMGECCQ-HOCLYGCPSA-N 1 2 318.417 2.810 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166811 399596961 /nfs/dbraw/zinc/59/69/61/399596961.db2.gz RWNDOTOFCNITIM-AEFFLSMTSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000612166811 399596963 /nfs/dbraw/zinc/59/69/63/399596963.db2.gz RWNDOTOFCNITIM-AEFFLSMTSA-N 1 2 315.392 2.947 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156438409 197113377 /nfs/dbraw/zinc/11/33/77/197113377.db2.gz KDJZSECSMFVPMF-SJORKVTESA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156438409 197113378 /nfs/dbraw/zinc/11/33/78/197113378.db2.gz KDJZSECSMFVPMF-SJORKVTESA-N 1 2 312.369 2.567 20 30 DFEDLO C[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)N1CC#N ZINC000602848263 399600792 /nfs/dbraw/zinc/60/07/92/399600792.db2.gz GLMYJCFVCZBGLM-HUUCEWRRSA-N 1 2 301.821 2.610 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H](C)N1CC#N ZINC000602856541 399604854 /nfs/dbraw/zinc/60/48/54/399604854.db2.gz KJCPYCYBUFLGFJ-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H](C)N1CC#N ZINC000602856541 399604855 /nfs/dbraw/zinc/60/48/55/399604855.db2.gz KJCPYCYBUFLGFJ-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000602865214 399608046 /nfs/dbraw/zinc/60/80/46/399608046.db2.gz UVQWGZGORIJLPF-LPHOPBHVSA-N 1 2 321.424 2.978 20 30 DFEDLO C[C@H](CC#N)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000602870060 399610029 /nfs/dbraw/zinc/61/00/29/399610029.db2.gz KKSWHIHVCGVBNQ-SECBINFHSA-N 1 2 307.195 2.728 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000602865535 399608605 /nfs/dbraw/zinc/60/86/05/399608605.db2.gz WFZSUELPZFBFSF-UWVGGRQHSA-N 1 2 315.295 2.804 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H](C)N1CC#N ZINC000602867349 399608693 /nfs/dbraw/zinc/60/86/93/399608693.db2.gz YCCTVFXEWBMLJA-BETUJISGSA-N 1 2 306.479 2.859 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H](C)N1CC#N ZINC000602867349 399608699 /nfs/dbraw/zinc/60/86/99/399608699.db2.gz YCCTVFXEWBMLJA-BETUJISGSA-N 1 2 306.479 2.859 20 30 DFEDLO CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)CC#N)sc2c1 ZINC000602869243 399610181 /nfs/dbraw/zinc/61/01/81/399610181.db2.gz MZTNNVUVVRDPNE-SNVBAGLBSA-N 1 2 318.402 2.525 20 30 DFEDLO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)ccc1Br ZINC000602871127 399610220 /nfs/dbraw/zinc/61/02/20/399610220.db2.gz YJYCBWRDSSLUQR-GHMZBOCLSA-N 1 2 324.222 2.976 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602888568 399616051 /nfs/dbraw/zinc/61/60/51/399616051.db2.gz VKKNFZXJDKGWRV-GFCCVEGCSA-N 1 2 322.206 2.601 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602888568 399616052 /nfs/dbraw/zinc/61/60/52/399616052.db2.gz VKKNFZXJDKGWRV-GFCCVEGCSA-N 1 2 322.206 2.601 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120832483 195246449 /nfs/dbraw/zinc/24/64/49/195246449.db2.gz FWALOCYLYWJFMT-UHFFFAOYSA-N 1 2 308.385 2.884 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602900014 399620207 /nfs/dbraw/zinc/62/02/07/399620207.db2.gz WXCXRTCAKBIUCC-OAHLLOKOSA-N 1 2 307.401 2.878 20 30 DFEDLO CC(C)c1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602909798 399623159 /nfs/dbraw/zinc/62/31/59/399623159.db2.gz OXRMIBVSSLRSBR-UHFFFAOYSA-N 1 2 311.389 2.839 20 30 DFEDLO CSC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000602920465 399626922 /nfs/dbraw/zinc/62/69/22/399626922.db2.gz OIJACGKIDQVOGP-UHFFFAOYSA-N 1 2 323.849 2.978 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923224 399627880 /nfs/dbraw/zinc/62/78/80/399627880.db2.gz AZRMAVJEWCXMMA-INIZCTEOSA-N 1 2 319.767 2.959 20 30 DFEDLO COCCOc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000296597779 533223547 /nfs/dbraw/zinc/22/35/47/533223547.db2.gz XHZUQJQJIIUJKV-IUODEOHRSA-N 1 2 312.373 2.898 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(F)CC2)c(C#N)c1C ZINC000602993209 399652757 /nfs/dbraw/zinc/65/27/57/399652757.db2.gz UHQUIXJPNXOBFP-NSHDSACASA-N 1 2 307.369 2.919 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1C#N ZINC000612461896 399658509 /nfs/dbraw/zinc/65/85/09/399658509.db2.gz YDMZNWVRXTYTGG-JTQLQIEISA-N 1 2 313.357 2.801 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000603021995 399659865 /nfs/dbraw/zinc/65/98/65/399659865.db2.gz LZGHXIJTVTUERA-MJEQTWJJSA-N 1 2 323.387 2.869 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)ccn1 ZINC000612539370 399672964 /nfs/dbraw/zinc/67/29/64/399672964.db2.gz AUDZRBMKFCWTHS-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)ccn1 ZINC000612539370 399672968 /nfs/dbraw/zinc/67/29/68/399672968.db2.gz AUDZRBMKFCWTHS-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@H]1CCC[C@@H]1C#N ZINC000602981817 399649541 /nfs/dbraw/zinc/64/95/41/399649541.db2.gz JZPKZUGLRQOSFM-PWSUYJOCSA-N 1 2 314.311 2.542 20 30 DFEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)[C@H]1CCC[C@@H]1C#N ZINC000602981817 399649545 /nfs/dbraw/zinc/64/95/45/399649545.db2.gz JZPKZUGLRQOSFM-PWSUYJOCSA-N 1 2 314.311 2.542 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000624470235 399682320 /nfs/dbraw/zinc/68/23/20/399682320.db2.gz VJNWSXUVFGLHNV-UHFFFAOYSA-N 1 2 316.449 2.511 20 30 DFEDLO C=CCCC1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCCC1 ZINC000617417027 399696698 /nfs/dbraw/zinc/69/66/98/399696698.db2.gz IFHFSXZIJYWNDD-UHFFFAOYSA-N 1 2 320.477 2.884 20 30 DFEDLO CC(C)n1cc[nH+]c1Cn1cc(COc2ccccc2C#N)nn1 ZINC000603223506 399715411 /nfs/dbraw/zinc/71/54/11/399715411.db2.gz SBKDPRZEUTZOBU-UHFFFAOYSA-N 1 2 322.372 2.554 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289260497 335061492 /nfs/dbraw/zinc/06/14/92/335061492.db2.gz MOWFRAOVVGBQPI-QZTJIDSGSA-N 1 2 311.381 2.585 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289260497 335061493 /nfs/dbraw/zinc/06/14/93/335061493.db2.gz MOWFRAOVVGBQPI-QZTJIDSGSA-N 1 2 311.381 2.585 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1OC ZINC000289657421 335062382 /nfs/dbraw/zinc/06/23/82/335062382.db2.gz COHJTHBFOMIXMJ-QGZVFWFLSA-N 1 2 309.381 2.556 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1OC ZINC000289657421 335062383 /nfs/dbraw/zinc/06/23/83/335062383.db2.gz COHJTHBFOMIXMJ-QGZVFWFLSA-N 1 2 309.381 2.556 20 30 DFEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000289370257 335062821 /nfs/dbraw/zinc/06/28/21/335062821.db2.gz BDMWVTMXNGGEMH-UHFFFAOYSA-N 1 2 319.408 2.522 20 30 DFEDLO C=CCN(C(=O)Cn1c(CC)[nH+]c2ccccc21)[C@H](C)COC ZINC000617576280 399744743 /nfs/dbraw/zinc/74/47/43/399744743.db2.gz PWEMWMNGSRRYDK-CQSZACIVSA-N 1 2 315.417 2.648 20 30 DFEDLO Cc1cccn2cc(Cc3noc(-c4ccc(C#N)nc4)n3)[nH+]c12 ZINC000612918768 399750522 /nfs/dbraw/zinc/75/05/22/399750522.db2.gz GRXRYYDZEVQPKW-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO Cc1cc(N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c(C#N)c[nH+]1 ZINC000603406216 399768237 /nfs/dbraw/zinc/76/82/37/399768237.db2.gz QWQJIXBZDPQNBL-GOSISDBHSA-N 1 2 317.396 2.848 20 30 DFEDLO CC(C)(Nc1ncc(Br)cc1C#N)c1[nH]cc[nH+]1 ZINC000603407195 399768329 /nfs/dbraw/zinc/76/83/29/399768329.db2.gz QKVYWKOOEFUSPJ-UHFFFAOYSA-N 1 2 306.167 2.786 20 30 DFEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccs2)CC1 ZINC000603590882 399792292 /nfs/dbraw/zinc/79/22/92/399792292.db2.gz NYIJLSWVMYQDKL-UHFFFAOYSA-N 1 2 314.414 2.807 20 30 DFEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1 ZINC000264456872 542955832 /nfs/dbraw/zinc/95/58/32/542955832.db2.gz JJMKVVADSNMDGS-UHFFFAOYSA-N 1 2 301.390 2.604 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1OC ZINC000289982880 335067461 /nfs/dbraw/zinc/06/74/61/335067461.db2.gz ZYZMLBNMXUUHLV-GOSISDBHSA-N 1 2 323.408 2.947 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1OC ZINC000289982880 335067462 /nfs/dbraw/zinc/06/74/62/335067462.db2.gz ZYZMLBNMXUUHLV-GOSISDBHSA-N 1 2 323.408 2.947 20 30 DFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1c[nH+]c[nH]1 ZINC000328833977 543098237 /nfs/dbraw/zinc/09/82/37/543098237.db2.gz LNFAPCQAKFIIIU-JTQLQIEISA-N 1 2 306.391 2.573 20 30 DFEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1c[nH]c[nH+]1 ZINC000328833977 543098239 /nfs/dbraw/zinc/09/82/39/543098239.db2.gz LNFAPCQAKFIIIU-JTQLQIEISA-N 1 2 306.391 2.573 20 30 DFEDLO O=C(N[C@@H]1CCOc2ccccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329131272 543100568 /nfs/dbraw/zinc/10/05/68/543100568.db2.gz XQNXSSPKNYQZDR-OAHLLOKOSA-N 1 2 316.401 2.722 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C2CC2)C1 ZINC000329340170 543103017 /nfs/dbraw/zinc/10/30/17/543103017.db2.gz RKWCRTQONBBYRP-CQSZACIVSA-N 1 2 302.422 2.755 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000604528704 399853138 /nfs/dbraw/zinc/85/31/38/399853138.db2.gz MMOVKGXTECSUHU-UHFFFAOYSA-N 1 2 310.401 2.974 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H]1C1CCCC1 ZINC000604558455 399856210 /nfs/dbraw/zinc/85/62/10/399856210.db2.gz FDEJJDYYUXVIDR-HNNXBMFYSA-N 1 2 310.405 2.899 20 30 DFEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000604558268 399856514 /nfs/dbraw/zinc/85/65/14/399856514.db2.gz QQJUBOFDXFEJJL-ZDUSSCGKSA-N 1 2 306.373 2.956 20 30 DFEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccc(C#N)cc1 ZINC000604559774 399856578 /nfs/dbraw/zinc/85/65/78/399856578.db2.gz RQUDAXUNMVGWAG-GFCCVEGCSA-N 1 2 317.356 2.785 20 30 DFEDLO CC(C)(C#N)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000358617750 543268760 /nfs/dbraw/zinc/26/87/60/543268760.db2.gz MHFHYDSKPKPAKS-UHFFFAOYSA-N 1 2 317.437 2.635 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000173725586 145352968 /nfs/dbraw/zinc/35/29/68/145352968.db2.gz NYLUXRVZTNMMJZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000173725586 145352971 /nfs/dbraw/zinc/35/29/71/145352971.db2.gz NYLUXRVZTNMMJZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896625 399959032 /nfs/dbraw/zinc/95/90/32/399959032.db2.gz SAPKWPWHHPABJP-UHFFFAOYSA-N 1 2 314.429 2.805 20 30 DFEDLO C=CCC1(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000633640856 399928945 /nfs/dbraw/zinc/92/89/45/399928945.db2.gz QRGSCICEZVHAPZ-UHFFFAOYSA-N 1 2 311.385 2.932 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355440791 147317478 /nfs/dbraw/zinc/31/74/78/147317478.db2.gz RDGIHLRWZOJAFZ-VIFPVBQESA-N 1 2 317.311 2.979 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355440791 147317479 /nfs/dbraw/zinc/31/74/79/147317479.db2.gz RDGIHLRWZOJAFZ-VIFPVBQESA-N 1 2 317.311 2.979 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNc1ccc(C)c(C#N)n1 ZINC000615697164 543478332 /nfs/dbraw/zinc/47/83/32/543478332.db2.gz RLONKGAPNLODTL-UHFFFAOYSA-N 1 2 305.385 3.286 20 30 DFEDLO Cc1[nH+]c2ccccn2c1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000358076279 148234146 /nfs/dbraw/zinc/23/41/46/148234146.db2.gz IVIHRUIBLABRFC-UHFFFAOYSA-N 1 2 314.348 2.878 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000358269710 148312297 /nfs/dbraw/zinc/31/22/97/148312297.db2.gz OHQTXFNWEINTHV-UHFFFAOYSA-N 1 2 311.410 2.809 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000361824110 149230214 /nfs/dbraw/zinc/23/02/14/149230214.db2.gz AXQKKSGEDCWYFV-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000361824110 149230217 /nfs/dbraw/zinc/23/02/17/149230217.db2.gz AXQKKSGEDCWYFV-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362392883 149296165 /nfs/dbraw/zinc/29/61/65/149296165.db2.gz VEOZLGXSYUKGNY-CQSZACIVSA-N 1 2 323.356 2.942 20 30 DFEDLO C=CCCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000667202985 543565224 /nfs/dbraw/zinc/56/52/24/543565224.db2.gz BDCVDNJMSBSRGR-UHFFFAOYSA-N 1 2 313.199 2.608 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)s1 ZINC000371411447 150042015 /nfs/dbraw/zinc/04/20/15/150042015.db2.gz OLIPWAKAYDCSDU-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)s1 ZINC000371411447 150042017 /nfs/dbraw/zinc/04/20/17/150042017.db2.gz OLIPWAKAYDCSDU-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)oc1C ZINC000131477182 196172602 /nfs/dbraw/zinc/17/26/02/196172602.db2.gz MGUKKMDRSFOEBB-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343315868 335071230 /nfs/dbraw/zinc/07/12/30/335071230.db2.gz RMFJWLZFXPRJNF-CYBMUJFWSA-N 1 2 305.372 2.947 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395926 425890223 /nfs/dbraw/zinc/89/02/23/425890223.db2.gz AOGHRGHOQCVESY-SFHVURJKSA-N 1 2 305.381 2.621 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395926 425890224 /nfs/dbraw/zinc/89/02/24/425890224.db2.gz AOGHRGHOQCVESY-SFHVURJKSA-N 1 2 305.381 2.621 20 30 DFEDLO C=CCN(C(=O)Nc1c[nH+]c2c(C)cccn12)[C@H](C)COC ZINC000667959157 543712229 /nfs/dbraw/zinc/71/22/29/543712229.db2.gz GOSYKPNWGUHPHA-CYBMUJFWSA-N 1 2 302.378 2.698 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000290595803 335076265 /nfs/dbraw/zinc/07/62/65/335076265.db2.gz UUXBGDPFJJNVIW-CRAIPNDOSA-N 1 2 307.397 2.517 20 30 DFEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675231440 544295818 /nfs/dbraw/zinc/29/58/18/544295818.db2.gz GUCDHEHKDNMLCW-CQSZACIVSA-N 1 2 305.422 2.797 20 30 DFEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675231440 544295821 /nfs/dbraw/zinc/29/58/21/544295821.db2.gz GUCDHEHKDNMLCW-CQSZACIVSA-N 1 2 305.422 2.797 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)OCC ZINC000677311529 544469011 /nfs/dbraw/zinc/46/90/11/544469011.db2.gz LYCUSLDULNKMMP-INIZCTEOSA-N 1 2 315.417 2.673 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000678205378 544619384 /nfs/dbraw/zinc/61/93/84/544619384.db2.gz ZMUUEUJPLDLXMK-MRXNPFEDSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000678205378 544619386 /nfs/dbraw/zinc/61/93/86/544619386.db2.gz ZMUUEUJPLDLXMK-MRXNPFEDSA-N 1 2 305.443 2.739 20 30 DFEDLO Cc1cc(N2CCC(C(=O)C(F)(F)F)CC2)c(C#N)c(C)[nH+]1 ZINC000302346831 230221973 /nfs/dbraw/zinc/22/19/73/230221973.db2.gz CMSJBNRWZUUMFE-UHFFFAOYSA-N 1 2 311.307 2.918 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H](C)C#N ZINC000064248642 425901363 /nfs/dbraw/zinc/90/13/63/425901363.db2.gz RULADZBJOTZFNI-CQSZACIVSA-N 1 2 324.428 2.534 20 30 DFEDLO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H](C)C#N ZINC000064248642 425901364 /nfs/dbraw/zinc/90/13/64/425901364.db2.gz RULADZBJOTZFNI-CQSZACIVSA-N 1 2 324.428 2.534 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000066563920 425904904 /nfs/dbraw/zinc/90/49/04/425904904.db2.gz POMYTNNZTSFIDW-ZDUSSCGKSA-N 1 2 320.462 2.615 20 30 DFEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000066563920 425904905 /nfs/dbraw/zinc/90/49/05/425904905.db2.gz POMYTNNZTSFIDW-ZDUSSCGKSA-N 1 2 320.462 2.615 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000338131567 269903023 /nfs/dbraw/zinc/90/30/23/269903023.db2.gz BLDZHJCQZFDTGP-CXAGYDPISA-N 1 2 308.385 2.787 20 30 DFEDLO C=CCCCS(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000292163551 335086211 /nfs/dbraw/zinc/08/62/11/335086211.db2.gz DBDJCZHZPREYEN-CQSZACIVSA-N 1 2 311.451 2.726 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000340337249 269958149 /nfs/dbraw/zinc/95/81/49/269958149.db2.gz UNJBUWGEBDMWGE-QPJJXVBHSA-N 1 2 321.380 2.622 20 30 DFEDLO CC[N@H+](Cc1c(F)cccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000155792908 425927363 /nfs/dbraw/zinc/92/73/63/425927363.db2.gz AWOCUSSFGLMOTK-LBPRGKRZSA-N 1 2 309.360 2.547 20 30 DFEDLO CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000155792908 425927366 /nfs/dbraw/zinc/92/73/66/425927366.db2.gz AWOCUSSFGLMOTK-LBPRGKRZSA-N 1 2 309.360 2.547 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000452448796 270001526 /nfs/dbraw/zinc/00/15/26/270001526.db2.gz YGGIDOPQACVQRP-OAHLLOKOSA-N 1 2 308.385 2.824 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489247644 270002260 /nfs/dbraw/zinc/00/22/60/270002260.db2.gz DWSIZEOZVATKNY-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489247644 270002261 /nfs/dbraw/zinc/00/22/61/270002261.db2.gz DWSIZEOZVATKNY-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1cccc(C#N)c1)C2 ZINC000531392378 270002747 /nfs/dbraw/zinc/00/27/47/270002747.db2.gz SVELRIGHEIHCPY-UHFFFAOYSA-N 1 2 322.412 2.543 20 30 DFEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)[nH]1 ZINC000069168857 425931725 /nfs/dbraw/zinc/93/17/25/425931725.db2.gz ZJLJRGBRSMASDM-KRWDZBQOSA-N 1 2 303.369 2.864 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000352766580 266109838 /nfs/dbraw/zinc/10/98/38/266109838.db2.gz YBNDLJADDXCOPR-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000352766580 266109843 /nfs/dbraw/zinc/10/98/43/266109843.db2.gz YBNDLJADDXCOPR-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H](CC)O1 ZINC000398514317 266382180 /nfs/dbraw/zinc/38/21/80/266382180.db2.gz JQJLLVZYARCWPA-NUEKZKHPSA-N 1 2 315.417 2.775 20 30 DFEDLO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000439429526 267069521 /nfs/dbraw/zinc/06/95/21/267069521.db2.gz HZTPOMCSDNRASO-GFCCVEGCSA-N 1 2 306.715 2.957 20 30 DFEDLO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000439429526 267069524 /nfs/dbraw/zinc/06/95/24/267069524.db2.gz HZTPOMCSDNRASO-GFCCVEGCSA-N 1 2 306.715 2.957 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287219 267107221 /nfs/dbraw/zinc/10/72/21/267107221.db2.gz UAVZFPPMTCUONI-ZWNOBZJWSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000348287219 267107223 /nfs/dbraw/zinc/10/72/23/267107223.db2.gz UAVZFPPMTCUONI-ZWNOBZJWSA-N 1 2 311.307 2.769 20 30 DFEDLO CCOC(=O)C(CC)(CC)[NH2+]CCOc1cccc(C#N)c1 ZINC000429295104 267113280 /nfs/dbraw/zinc/11/32/80/267113280.db2.gz AJODTNSXUSXNTK-UHFFFAOYSA-N 1 2 304.390 2.649 20 30 DFEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc([S@@](C)=O)cc1 ZINC000352826274 267185258 /nfs/dbraw/zinc/18/52/58/267185258.db2.gz DHZRSUAONZSPIH-WVDJIFEKSA-N 1 2 305.428 2.603 20 30 DFEDLO C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344690666 267215330 /nfs/dbraw/zinc/21/53/30/267215330.db2.gz SBMYYDKWKSWUOZ-YJBOKZPZSA-N 1 2 311.429 2.639 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(F)cc1C#N ZINC000454922675 267259349 /nfs/dbraw/zinc/25/93/49/267259349.db2.gz KGHANUSGEPQUHA-JTQLQIEISA-N 1 2 301.325 2.796 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437433022 267323525 /nfs/dbraw/zinc/32/35/25/267323525.db2.gz WMWNVJBKIVHJHX-UHFFFAOYSA-N 1 2 306.316 2.525 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437433022 267323527 /nfs/dbraw/zinc/32/35/27/267323527.db2.gz WMWNVJBKIVHJHX-UHFFFAOYSA-N 1 2 306.316 2.525 20 30 DFEDLO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc(C#N)n1 ZINC000341743984 267347233 /nfs/dbraw/zinc/34/72/33/267347233.db2.gz SPHDRPXWUOCHSI-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000022813033 267384000 /nfs/dbraw/zinc/38/40/00/267384000.db2.gz GDQZKLMTAQYADG-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000346428355 267468342 /nfs/dbraw/zinc/46/83/42/267468342.db2.gz VEJOLNWHOPUSGX-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000346428355 267468345 /nfs/dbraw/zinc/46/83/45/267468345.db2.gz VEJOLNWHOPUSGX-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000348309995 267629700 /nfs/dbraw/zinc/62/97/00/267629700.db2.gz QIPXKGPFFUPYFS-SECBINFHSA-N 1 2 318.402 2.822 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccco1 ZINC000008198388 425663310 /nfs/dbraw/zinc/66/33/10/425663310.db2.gz RNESTQUEMSPNND-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccco1 ZINC000008198388 425663314 /nfs/dbraw/zinc/66/33/14/425663314.db2.gz RNESTQUEMSPNND-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014914312 425776453 /nfs/dbraw/zinc/77/64/53/425776453.db2.gz KEMIDFRNYBPBJC-GRYCIOLGSA-N 1 2 321.808 2.648 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014914312 425776456 /nfs/dbraw/zinc/77/64/56/425776456.db2.gz KEMIDFRNYBPBJC-GRYCIOLGSA-N 1 2 321.808 2.648 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C#N)c1C ZINC000026329068 425810566 /nfs/dbraw/zinc/81/05/66/425810566.db2.gz QJALXGWMLJEEGC-UHFFFAOYSA-N 1 2 322.368 2.710 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C#N)c1C ZINC000026329068 425810568 /nfs/dbraw/zinc/81/05/68/425810568.db2.gz QJALXGWMLJEEGC-UHFFFAOYSA-N 1 2 322.368 2.710 20 30 DFEDLO Cc1cc(NC[C@H](CO)c2ccccc2Cl)c(C#N)c[nH+]1 ZINC000425265885 267950154 /nfs/dbraw/zinc/95/01/54/267950154.db2.gz FZOUPPTZQRBCBT-CYBMUJFWSA-N 1 2 301.777 2.525 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000028740604 425822433 /nfs/dbraw/zinc/82/24/33/425822433.db2.gz WCFJFGIJINUSGS-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1C ZINC000046529098 425865552 /nfs/dbraw/zinc/86/55/52/425865552.db2.gz FBVYCHQFOACFKB-UHFFFAOYSA-N 1 2 322.368 2.710 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1C ZINC000046529098 425865553 /nfs/dbraw/zinc/86/55/53/425865553.db2.gz FBVYCHQFOACFKB-UHFFFAOYSA-N 1 2 322.368 2.710 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526292 425865814 /nfs/dbraw/zinc/86/58/14/425865814.db2.gz KLWYVDRTNQNHSS-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526292 425865815 /nfs/dbraw/zinc/86/58/15/425865815.db2.gz KLWYVDRTNQNHSS-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO C=CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000042925559 425854220 /nfs/dbraw/zinc/85/42/20/425854220.db2.gz MHDUIAJGISJLOX-UHFFFAOYSA-N 1 2 322.412 2.630 20 30 DFEDLO Cc1cc(N(C)CCOCc2ccc(C#N)cc2)c(C#N)c[nH+]1 ZINC000425269315 268004441 /nfs/dbraw/zinc/00/44/41/268004441.db2.gz QOVSNYYKWZIIKA-UHFFFAOYSA-N 1 2 306.369 2.786 20 30 DFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cc(=O)c(O)co3)CC2)cc1 ZINC000347997926 268055211 /nfs/dbraw/zinc/05/52/11/268055211.db2.gz WPZMAUPYDSSPPM-UHFFFAOYSA-N 1 2 308.337 2.506 20 30 DFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(=O)c(O)co3)CC2)cc1 ZINC000347997926 268055214 /nfs/dbraw/zinc/05/52/14/268055214.db2.gz WPZMAUPYDSSPPM-UHFFFAOYSA-N 1 2 308.337 2.506 20 30 DFEDLO Cc1nc(NC2CCC(Oc3ncccc3C#N)CC2)cc[nH+]1 ZINC000445665004 268089118 /nfs/dbraw/zinc/08/91/18/268089118.db2.gz OEICLIQBLJOPLO-UHFFFAOYSA-N 1 2 309.373 2.854 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000428939146 268163475 /nfs/dbraw/zinc/16/34/75/268163475.db2.gz LSHVPLVRQFNXFC-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000428939146 268163476 /nfs/dbraw/zinc/16/34/76/268163476.db2.gz LSHVPLVRQFNXFC-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000487332954 268197561 /nfs/dbraw/zinc/19/75/61/268197561.db2.gz LFGREEJBOXKXOQ-UHFFFAOYSA-N 1 2 300.387 2.637 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)o1 ZINC000428170485 268201238 /nfs/dbraw/zinc/20/12/38/268201238.db2.gz IRNGWXZQAHTPGH-UHFFFAOYSA-N 1 2 324.384 2.857 20 30 DFEDLO N#Cc1ccc(C2(C(=O)Nc3cccc4[nH+]ccn43)CC2)cc1 ZINC000445823948 268209333 /nfs/dbraw/zinc/20/93/33/268209333.db2.gz KGXFANFYEYNXBM-UHFFFAOYSA-N 1 2 302.337 2.876 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000435910902 268222241 /nfs/dbraw/zinc/22/22/41/268222241.db2.gz ZDMIEDJOKDCMTL-ZIAGYGMSSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000435910902 268222243 /nfs/dbraw/zinc/22/22/43/268222243.db2.gz ZDMIEDJOKDCMTL-ZIAGYGMSSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000340381433 268244820 /nfs/dbraw/zinc/24/48/20/268244820.db2.gz YKHVIVHQUZFIBZ-HNNXBMFYSA-N 1 2 309.398 2.660 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000459423198 268289528 /nfs/dbraw/zinc/28/95/28/268289528.db2.gz GQPVCCWCFGZNCZ-OAHLLOKOSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000459423198 268289530 /nfs/dbraw/zinc/28/95/30/268289530.db2.gz GQPVCCWCFGZNCZ-OAHLLOKOSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000459523445 268291234 /nfs/dbraw/zinc/29/12/34/268291234.db2.gz VVMKMHCMBGKOLO-HNNXBMFYSA-N 1 2 303.387 2.794 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000459523445 268291237 /nfs/dbraw/zinc/29/12/37/268291237.db2.gz VVMKMHCMBGKOLO-HNNXBMFYSA-N 1 2 303.387 2.794 20 30 DFEDLO N#Cc1cccc2c1CCN2Cc1[nH+]ccn1CC(F)(F)F ZINC000420968814 268295131 /nfs/dbraw/zinc/29/51/31/268295131.db2.gz AGRLOZDVSWACMC-UHFFFAOYSA-N 1 2 306.291 2.880 20 30 DFEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCn2cc[nH+]c2C1 ZINC000352329231 268313525 /nfs/dbraw/zinc/31/35/25/268313525.db2.gz MPICIKBCYTUQJS-UHFFFAOYSA-N 1 2 311.295 2.601 20 30 DFEDLO N#Cc1csc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000176956842 268318961 /nfs/dbraw/zinc/31/89/61/268318961.db2.gz UBDPVFTYRPPCLB-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000432052998 268319231 /nfs/dbraw/zinc/31/92/31/268319231.db2.gz CNLBWNIVGBMIBH-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000333060873 268372086 /nfs/dbraw/zinc/37/20/86/268372086.db2.gz IGWSYYMPUOPOSB-OAHLLOKOSA-N 1 2 308.385 2.824 20 30 DFEDLO C[C@H]1CCN(C(=O)c2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000125796902 425991546 /nfs/dbraw/zinc/99/15/46/425991546.db2.gz JDACWZYUHCNZCU-AAEUAGOBSA-N 1 2 300.387 2.540 20 30 DFEDLO C[C@H]1CCN(C(=O)c2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000125797344 425991898 /nfs/dbraw/zinc/99/18/98/425991898.db2.gz JDACWZYUHCNZCU-WCQYABFASA-N 1 2 300.387 2.540 20 30 DFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000104146066 425959962 /nfs/dbraw/zinc/95/99/62/425959962.db2.gz CDMYVYJJOGREAP-NSHDSACASA-N 1 2 324.475 2.880 20 30 DFEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000104146066 425959963 /nfs/dbraw/zinc/95/99/63/425959963.db2.gz CDMYVYJJOGREAP-NSHDSACASA-N 1 2 324.475 2.880 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000106868719 425976752 /nfs/dbraw/zinc/97/67/52/425976752.db2.gz PQVPEFWDWIXGSW-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000106868719 425976754 /nfs/dbraw/zinc/97/67/54/425976754.db2.gz PQVPEFWDWIXGSW-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000106867811 425977070 /nfs/dbraw/zinc/97/70/70/425977070.db2.gz CDZUHHYOQLTTBK-OAHLLOKOSA-N 1 2 301.390 2.657 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000106867811 425977073 /nfs/dbraw/zinc/97/70/73/425977073.db2.gz CDZUHHYOQLTTBK-OAHLLOKOSA-N 1 2 301.390 2.657 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871155 426023128 /nfs/dbraw/zinc/02/31/28/426023128.db2.gz KUBMEGFDJRCOIY-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871155 426023131 /nfs/dbraw/zinc/02/31/31/426023131.db2.gz KUBMEGFDJRCOIY-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO N#Cc1nc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1Cl ZINC000109129298 426029025 /nfs/dbraw/zinc/02/90/25/426029025.db2.gz QZEKRLPDNRTUFC-LBPRGKRZSA-N 1 2 313.792 2.940 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000126889695 426040911 /nfs/dbraw/zinc/04/09/11/426040911.db2.gz MYEANFJEMRYZGS-GASCZTMLSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000126889695 426040914 /nfs/dbraw/zinc/04/09/14/426040914.db2.gz MYEANFJEMRYZGS-GASCZTMLSA-N 1 2 318.417 2.987 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+](C)[C@H](C)CC#N)c(Cl)c1 ZINC000161847569 426043080 /nfs/dbraw/zinc/04/30/80/426043080.db2.gz FVSAGZUTGCJLHP-LLVKDONJSA-N 1 2 310.781 2.739 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+](C)[C@H](C)CC#N)c(Cl)c1 ZINC000161847569 426043082 /nfs/dbraw/zinc/04/30/82/426043082.db2.gz FVSAGZUTGCJLHP-LLVKDONJSA-N 1 2 310.781 2.739 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000127483438 426069374 /nfs/dbraw/zinc/06/93/74/426069374.db2.gz PVDRRWNMRONMFM-SFHVURJKSA-N 1 2 324.428 2.507 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000127483438 426069377 /nfs/dbraw/zinc/06/93/77/426069377.db2.gz PVDRRWNMRONMFM-SFHVURJKSA-N 1 2 324.428 2.507 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000127483438 426069379 /nfs/dbraw/zinc/06/93/79/426069379.db2.gz PVDRRWNMRONMFM-SFHVURJKSA-N 1 2 324.428 2.507 20 30 DFEDLO C=CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072577120 426018095 /nfs/dbraw/zinc/01/80/95/426018095.db2.gz PPNGOKINNXETCK-UHFFFAOYSA-N 1 2 315.295 2.922 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000128000593 426096357 /nfs/dbraw/zinc/09/63/57/426096357.db2.gz KWUBFQTUNWIFHL-YOEHRIQHSA-N 1 2 308.385 2.979 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000076675961 426116722 /nfs/dbraw/zinc/11/67/22/426116722.db2.gz SVSXJHVBHUPALK-UHFFFAOYSA-N 1 2 303.381 2.552 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000076675961 426116726 /nfs/dbraw/zinc/11/67/26/426116726.db2.gz SVSXJHVBHUPALK-UHFFFAOYSA-N 1 2 303.381 2.552 20 30 DFEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000127678422 426079756 /nfs/dbraw/zinc/07/97/56/426079756.db2.gz IVEZEIUJWOEKTE-UHFFFAOYSA-N 1 2 312.373 2.583 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000127678422 426079759 /nfs/dbraw/zinc/07/97/59/426079759.db2.gz IVEZEIUJWOEKTE-UHFFFAOYSA-N 1 2 312.373 2.583 20 30 DFEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC#N)CC1 ZINC000075832889 426085080 /nfs/dbraw/zinc/08/50/80/426085080.db2.gz GUMMULRHTZOQQJ-LBPRGKRZSA-N 1 2 308.223 2.651 20 30 DFEDLO C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000127780236 426086112 /nfs/dbraw/zinc/08/61/12/426086112.db2.gz KAZPHKRKPVWVRB-CZUORRHYSA-N 1 2 309.373 2.870 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000117051923 426205027 /nfs/dbraw/zinc/20/50/27/426205027.db2.gz MJPCHYRKCMQLQZ-RISCZKNCSA-N 1 2 311.376 2.831 20 30 DFEDLO N#Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)ccc1F ZINC000171086609 426169130 /nfs/dbraw/zinc/16/91/30/426169130.db2.gz NJMADVUWQOMZTL-UHFFFAOYSA-N 1 2 313.336 2.716 20 30 DFEDLO N#Cc1cnc(NCc2[nH+]ccn2CCCc2ccccc2)cn1 ZINC000133497667 426179471 /nfs/dbraw/zinc/17/94/71/426179471.db2.gz YQMBNBAGQIQIIT-UHFFFAOYSA-N 1 2 318.384 2.790 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000116264139 426184160 /nfs/dbraw/zinc/18/41/60/426184160.db2.gz WCWNRMGECUWMFE-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000116803020 426197398 /nfs/dbraw/zinc/19/73/98/426197398.db2.gz HFCWCCMZYWTSKV-DYVFJYSZSA-N 1 2 317.458 2.695 20 30 DFEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000116803020 426197400 /nfs/dbraw/zinc/19/74/00/426197400.db2.gz HFCWCCMZYWTSKV-DYVFJYSZSA-N 1 2 317.458 2.695 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117597976 426218604 /nfs/dbraw/zinc/21/86/04/426218604.db2.gz KWXGBRGAYVZCNW-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000118414621 426235549 /nfs/dbraw/zinc/23/55/49/426235549.db2.gz HXPOSQUJDPLXRR-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000118414621 426235552 /nfs/dbraw/zinc/23/55/52/426235552.db2.gz HXPOSQUJDPLXRR-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000136169434 426237034 /nfs/dbraw/zinc/23/70/34/426237034.db2.gz KQFCKDRUUJOPRT-HNNXBMFYSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000136169434 426237036 /nfs/dbraw/zinc/23/70/36/426237036.db2.gz KQFCKDRUUJOPRT-HNNXBMFYSA-N 1 2 313.850 2.824 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C#N)c2C1 ZINC000171839960 426215567 /nfs/dbraw/zinc/21/55/67/426215567.db2.gz FZFDGTFXHROSSE-ZDUSSCGKSA-N 1 2 322.412 2.502 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C#N)c2C1 ZINC000171839960 426215569 /nfs/dbraw/zinc/21/55/69/426215569.db2.gz FZFDGTFXHROSSE-ZDUSSCGKSA-N 1 2 322.412 2.502 20 30 DFEDLO CC(=O)Nc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1F ZINC000089785111 426308024 /nfs/dbraw/zinc/30/80/24/426308024.db2.gz PCVUXKKXXOYYII-UHFFFAOYSA-N 1 2 323.331 2.916 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151816596 426313956 /nfs/dbraw/zinc/31/39/56/426313956.db2.gz BLVWUBCPHJFBBL-QGZVFWFLSA-N 1 2 322.412 2.754 20 30 DFEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000122941259 426403917 /nfs/dbraw/zinc/40/39/17/426403917.db2.gz SMWGLHZJQQHPFG-PBHICJAKSA-N 1 2 322.412 2.992 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076168 426345987 /nfs/dbraw/zinc/34/59/87/426345987.db2.gz NNQQWLIUZRQGJO-INIZCTEOSA-N 1 2 311.410 2.683 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076168 426345990 /nfs/dbraw/zinc/34/59/90/426345990.db2.gz NNQQWLIUZRQGJO-INIZCTEOSA-N 1 2 311.410 2.683 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(C#N)c1 ZINC000092504582 426349227 /nfs/dbraw/zinc/34/92/27/426349227.db2.gz YGUQLJNXUYRBPW-UHFFFAOYSA-N 1 2 311.410 2.907 20 30 DFEDLO C=CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(C#N)c1 ZINC000092504582 426349230 /nfs/dbraw/zinc/34/92/30/426349230.db2.gz YGUQLJNXUYRBPW-UHFFFAOYSA-N 1 2 311.410 2.907 20 30 DFEDLO C#CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000092541566 426349323 /nfs/dbraw/zinc/34/93/23/426349323.db2.gz BJACQWXWZFHAIP-UHFFFAOYSA-N 1 2 318.355 2.980 20 30 DFEDLO C#CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000092541566 426349327 /nfs/dbraw/zinc/34/93/27/426349327.db2.gz BJACQWXWZFHAIP-UHFFFAOYSA-N 1 2 318.355 2.980 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(CO)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646303 426351447 /nfs/dbraw/zinc/35/14/47/426351447.db2.gz KWIIVFNUJLDZHM-UHFFFAOYSA-N 1 2 302.330 2.868 20 30 DFEDLO C=CC[N@H+](Cc1ccc(CO)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646303 426351451 /nfs/dbraw/zinc/35/14/51/426351451.db2.gz KWIIVFNUJLDZHM-UHFFFAOYSA-N 1 2 302.330 2.868 20 30 DFEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccncc1 ZINC000121843921 426353656 /nfs/dbraw/zinc/35/36/56/426353656.db2.gz RRQIELQFXNDFDP-UHFFFAOYSA-N 1 2 312.402 2.515 20 30 DFEDLO C=CCc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc(OC)c1O ZINC000093773036 426358027 /nfs/dbraw/zinc/35/80/27/426358027.db2.gz AVXIYHJAIULUHP-CYBMUJFWSA-N 1 2 321.417 2.901 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc(OC)c1O ZINC000093773036 426358029 /nfs/dbraw/zinc/35/80/29/426358029.db2.gz AVXIYHJAIULUHP-CYBMUJFWSA-N 1 2 321.417 2.901 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(F)c1 ZINC000122452463 426375640 /nfs/dbraw/zinc/37/56/40/426375640.db2.gz XHBNXIXEALQQQX-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153837729 426409300 /nfs/dbraw/zinc/40/93/00/426409300.db2.gz CTAHOHZVZNITEF-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153837729 426409304 /nfs/dbraw/zinc/40/93/04/426409304.db2.gz CTAHOHZVZNITEF-QGZVFWFLSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccncc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341425812 269075415 /nfs/dbraw/zinc/07/54/15/269075415.db2.gz PITVARMCNLFCPB-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000155203992 426466433 /nfs/dbraw/zinc/46/64/33/426466433.db2.gz FUEMYLAQAFOMJL-KBPBESRZSA-N 1 2 303.406 2.894 20 30 DFEDLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000155203992 426466435 /nfs/dbraw/zinc/46/64/35/426466435.db2.gz FUEMYLAQAFOMJL-KBPBESRZSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[N@H+](CCCNS(=O)(=O)CCCCC#N)c1ccccc1 ZINC000264182149 426510727 /nfs/dbraw/zinc/51/07/27/426510727.db2.gz YXXWUGVWBACLAN-UHFFFAOYSA-N 1 2 323.462 2.516 20 30 DFEDLO CC[N@@H+](CCCNS(=O)(=O)CCCCC#N)c1ccccc1 ZINC000264182149 426510732 /nfs/dbraw/zinc/51/07/32/426510732.db2.gz YXXWUGVWBACLAN-UHFFFAOYSA-N 1 2 323.462 2.516 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000280202297 426521549 /nfs/dbraw/zinc/52/15/49/426521549.db2.gz UQPYQPKKZPYGON-HNNXBMFYSA-N 1 2 312.373 2.638 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000280202297 426521554 /nfs/dbraw/zinc/52/15/54/426521554.db2.gz UQPYQPKKZPYGON-HNNXBMFYSA-N 1 2 312.373 2.638 20 30 DFEDLO C=CCSCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000194613818 426489298 /nfs/dbraw/zinc/48/92/98/426489298.db2.gz FNINAYGVNFLYEI-UHFFFAOYSA-N 1 2 318.446 2.563 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186175497 426491454 /nfs/dbraw/zinc/49/14/54/426491454.db2.gz HHOWWEFWEQVVMX-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO Cc1ccc([C@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)o1 ZINC000280638224 426620568 /nfs/dbraw/zinc/62/05/68/426620568.db2.gz YAAWKARIIYHAKP-KRWDZBQOSA-N 1 2 311.385 2.945 20 30 DFEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000264478794 426561137 /nfs/dbraw/zinc/56/11/37/426561137.db2.gz PNMUAZSZPGDXIX-CYBMUJFWSA-N 1 2 304.390 2.683 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265505440 426648106 /nfs/dbraw/zinc/64/81/06/426648106.db2.gz NZJVUYALVAHXCC-GOSISDBHSA-N 1 2 324.380 2.935 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265505440 426648113 /nfs/dbraw/zinc/64/81/13/426648113.db2.gz NZJVUYALVAHXCC-GOSISDBHSA-N 1 2 324.380 2.935 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000273347963 426648272 /nfs/dbraw/zinc/64/82/72/426648272.db2.gz UUHHWZBNTNLOTA-MRXNPFEDSA-N 1 2 306.369 2.847 20 30 DFEDLO Cc1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)c(C)c1 ZINC000265640345 426667526 /nfs/dbraw/zinc/66/75/26/426667526.db2.gz JNRCXCKBWRCUEJ-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)c(C)c1 ZINC000265640345 426667529 /nfs/dbraw/zinc/66/75/29/426667529.db2.gz JNRCXCKBWRCUEJ-KRWDZBQOSA-N 1 2 302.418 2.811 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000187548245 426672207 /nfs/dbraw/zinc/67/22/07/426672207.db2.gz RTXNVXPCZBDVMJ-KRWDZBQOSA-N 1 2 323.820 2.896 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000187548245 426672210 /nfs/dbraw/zinc/67/22/10/426672210.db2.gz RTXNVXPCZBDVMJ-KRWDZBQOSA-N 1 2 323.820 2.896 20 30 DFEDLO CCN1CCN(c2c(Cl)cccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375356 269656011 /nfs/dbraw/zinc/65/60/11/269656011.db2.gz OHAROYIEILHSGC-AWEZNQCLSA-N 1 2 315.808 2.818 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)C1=O ZINC000281280262 426709218 /nfs/dbraw/zinc/70/92/18/426709218.db2.gz IPRQUSUECYEZOO-KRWDZBQOSA-N 1 2 311.385 2.560 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)C1=O ZINC000281280262 426709220 /nfs/dbraw/zinc/70/92/20/426709220.db2.gz IPRQUSUECYEZOO-KRWDZBQOSA-N 1 2 311.385 2.560 20 30 DFEDLO C#CCOc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000188066766 426720579 /nfs/dbraw/zinc/72/05/79/426720579.db2.gz KTAYFCZEUMAXNK-UHFFFAOYSA-N 1 2 324.384 2.764 20 30 DFEDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000274180830 426721104 /nfs/dbraw/zinc/72/11/04/426721104.db2.gz BMOXZWBSMKDWMK-MLGOLLRUSA-N 1 2 311.345 2.750 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000245904416 426780155 /nfs/dbraw/zinc/78/01/55/426780155.db2.gz UNBRJEHOCHLADR-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000245904416 426780159 /nfs/dbraw/zinc/78/01/59/426780159.db2.gz UNBRJEHOCHLADR-WFASDCNBSA-N 1 2 305.809 2.927 20 30 DFEDLO C#CCN(C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000274187388 426723821 /nfs/dbraw/zinc/72/38/21/426723821.db2.gz YZELGOLCCIAZPO-AWEZNQCLSA-N 1 2 308.385 2.741 20 30 DFEDLO C=CCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000188194659 426731266 /nfs/dbraw/zinc/73/12/66/426731266.db2.gz LDMWGQIVJNDRQI-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO CCOC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246296233 426818391 /nfs/dbraw/zinc/81/83/91/426818391.db2.gz BLDARKFAJFHUBS-NVXWUHKLSA-N 1 2 316.401 2.521 20 30 DFEDLO CCOC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246296233 426818393 /nfs/dbraw/zinc/81/83/93/426818393.db2.gz BLDARKFAJFHUBS-NVXWUHKLSA-N 1 2 316.401 2.521 20 30 DFEDLO CCO[C@@H](CC/[NH+]=C/c1c(CO)cnc(C)c1O)C1CCCC1 ZINC000267100893 426824788 /nfs/dbraw/zinc/82/47/88/426824788.db2.gz UBHJKVLTIUKGJI-WAKXPGHKSA-N 1 2 320.433 2.992 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000246553661 426845199 /nfs/dbraw/zinc/84/51/99/426845199.db2.gz LLABEEZHWFJPOI-FGTMMUONSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000246553661 426845204 /nfs/dbraw/zinc/84/52/04/426845204.db2.gz LLABEEZHWFJPOI-FGTMMUONSA-N 1 2 319.832 2.960 20 30 DFEDLO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295163283 426845150 /nfs/dbraw/zinc/84/51/50/426845150.db2.gz NMXWXLITMMGGKI-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295163283 426845157 /nfs/dbraw/zinc/84/51/57/426845157.db2.gz NMXWXLITMMGGKI-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000246064065 426794450 /nfs/dbraw/zinc/79/44/50/426794450.db2.gz WRMYGDJWHDQCRO-DLBZAZTESA-N 1 2 313.401 2.805 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000246064065 426794453 /nfs/dbraw/zinc/79/44/53/426794453.db2.gz WRMYGDJWHDQCRO-DLBZAZTESA-N 1 2 313.401 2.805 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(Br)c1 ZINC000181208403 426924138 /nfs/dbraw/zinc/92/41/38/426924138.db2.gz NPEAIRXJDOPJKH-HNNXBMFYSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(Br)c1 ZINC000181208403 426924148 /nfs/dbraw/zinc/92/41/48/426924148.db2.gz NPEAIRXJDOPJKH-HNNXBMFYSA-N 1 2 321.218 2.932 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180594271 426872167 /nfs/dbraw/zinc/87/21/67/426872167.db2.gz OYTNQJOTWXESSA-OAHLLOKOSA-N 1 2 309.373 2.760 20 30 DFEDLO C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247120743 426903884 /nfs/dbraw/zinc/90/38/84/426903884.db2.gz GJEVDENVQZUIPB-WBVHZDCISA-N 1 2 310.401 2.557 20 30 DFEDLO C[N@@H+](C[C@@H](C#N)CCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247120743 426903890 /nfs/dbraw/zinc/90/38/90/426903890.db2.gz GJEVDENVQZUIPB-WBVHZDCISA-N 1 2 310.401 2.557 20 30 DFEDLO CC(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275762705 426911632 /nfs/dbraw/zinc/91/16/32/426911632.db2.gz GJFAYESWIOROMG-UHFFFAOYSA-N 1 2 313.445 2.885 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)[C@H](C)CC ZINC000181629439 426970219 /nfs/dbraw/zinc/97/02/19/426970219.db2.gz UALUKGXBTDUOSF-CZUORRHYSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000328757929 426992730 /nfs/dbraw/zinc/99/27/30/426992730.db2.gz VKUBNNLCWHBBNF-CYBMUJFWSA-N 1 2 321.421 2.748 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000268584041 427060367 /nfs/dbraw/zinc/06/03/67/427060367.db2.gz UFZIJGMDBZKWOC-ZIAGYGMSSA-N 1 2 311.426 2.562 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000268584041 427060373 /nfs/dbraw/zinc/06/03/73/427060373.db2.gz UFZIJGMDBZKWOC-ZIAGYGMSSA-N 1 2 311.426 2.562 20 30 DFEDLO CSc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)ccn1 ZINC000329195943 427060729 /nfs/dbraw/zinc/06/07/29/427060729.db2.gz VNGHWKDGYOWFRJ-LBPRGKRZSA-N 1 2 302.403 2.719 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1Cl ZINC000276419654 427060714 /nfs/dbraw/zinc/06/07/14/427060714.db2.gz CCQAXPHAYFJSAJ-NSHDSACASA-N 1 2 306.797 2.884 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328795609 426999123 /nfs/dbraw/zinc/99/91/23/426999123.db2.gz UDSXHFBIKPAREP-VQHPVUNQSA-N 1 2 324.465 2.790 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328795609 426999131 /nfs/dbraw/zinc/99/91/31/426999131.db2.gz UDSXHFBIKPAREP-VQHPVUNQSA-N 1 2 324.465 2.790 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC=C(c2ccccc2)C1 ZINC000328872426 427007556 /nfs/dbraw/zinc/00/75/56/427007556.db2.gz ISGZAJVOMAKRQB-KRWDZBQOSA-N 1 2 322.412 2.901 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3ccccc3C2)C1 ZINC000328880749 427007988 /nfs/dbraw/zinc/00/79/88/427007988.db2.gz WBEJEMPBPLIMCU-SJORKVTESA-N 1 2 324.428 2.681 20 30 DFEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCC1 ZINC000276217966 427011677 /nfs/dbraw/zinc/01/16/77/427011677.db2.gz BUXJGFXDVHLYGN-UHFFFAOYSA-N 1 2 314.429 2.898 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCC1=O ZINC000328935908 427014376 /nfs/dbraw/zinc/01/43/76/427014376.db2.gz QNXAAPSTKQSDPA-UWVGGRQHSA-N 1 2 307.419 2.724 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCC1=O ZINC000328935908 427014380 /nfs/dbraw/zinc/01/43/80/427014380.db2.gz QNXAAPSTKQSDPA-UWVGGRQHSA-N 1 2 307.419 2.724 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000328959571 427016188 /nfs/dbraw/zinc/01/61/88/427016188.db2.gz QAHKPNDEVOIUFU-IAQYHMDHSA-N 1 2 317.776 2.881 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000328959571 427016194 /nfs/dbraw/zinc/01/61/94/427016194.db2.gz QAHKPNDEVOIUFU-IAQYHMDHSA-N 1 2 317.776 2.881 20 30 DFEDLO CC(C)c1nnc(CNC(=O)[C@H](C)[NH+]2CCSCC2)s1 ZINC000328965823 427018496 /nfs/dbraw/zinc/01/84/96/427018496.db2.gz SIOWRQNJTYCEPM-JTQLQIEISA-N 1 2 314.480 2.555 20 30 DFEDLO N#Cc1ccnc(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000268467205 427026223 /nfs/dbraw/zinc/02/62/23/427026223.db2.gz IJZCBWHGKAWHOL-UHFFFAOYSA-N 1 2 312.333 2.561 20 30 DFEDLO C#CC[N@@H+](Cn1cc2[nH]cccc-2c1=O)[C@H]1CCc2ccccc21 ZINC000190203981 427043905 /nfs/dbraw/zinc/04/39/05/427043905.db2.gz QXPLCFBJARGZFW-IBGZPJMESA-N 1 2 317.392 2.618 20 30 DFEDLO C#CC[N@H+](Cn1cc2[nH]cccc-2c1=O)[C@H]1CCc2ccccc21 ZINC000190203981 427043910 /nfs/dbraw/zinc/04/39/10/427043910.db2.gz QXPLCFBJARGZFW-IBGZPJMESA-N 1 2 317.392 2.618 20 30 DFEDLO Cc1nc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ccc1C#N ZINC000292054187 427070893 /nfs/dbraw/zinc/07/08/93/427070893.db2.gz WFBCHJBQYMTTDC-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO Cc1nc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ccc1C#N ZINC000292054185 427071732 /nfs/dbraw/zinc/07/17/32/427071732.db2.gz WFBCHJBQYMTTDC-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO CCc1cnccc1[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329316497 427089770 /nfs/dbraw/zinc/08/97/70/427089770.db2.gz FAXIFTLYIWTRCB-CQSZACIVSA-N 1 2 317.433 2.916 20 30 DFEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329325935 427093492 /nfs/dbraw/zinc/09/34/92/427093492.db2.gz WJBYDGGPEFNDPI-UHFFFAOYSA-N 1 2 317.389 2.995 20 30 DFEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329325935 427093499 /nfs/dbraw/zinc/09/34/99/427093499.db2.gz WJBYDGGPEFNDPI-UHFFFAOYSA-N 1 2 317.389 2.995 20 30 DFEDLO CCc1nc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)sc1C ZINC000329359289 427097716 /nfs/dbraw/zinc/09/77/16/427097716.db2.gz BTOZTTWUMBTHJH-UHFFFAOYSA-N 1 2 309.435 2.714 20 30 DFEDLO CCc1nc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)sc1C ZINC000329359289 427097720 /nfs/dbraw/zinc/09/77/20/427097720.db2.gz BTOZTTWUMBTHJH-UHFFFAOYSA-N 1 2 309.435 2.714 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329479022 427125502 /nfs/dbraw/zinc/12/55/02/427125502.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH]1 ZINC000329479022 427125509 /nfs/dbraw/zinc/12/55/09/427125509.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329479022 427125513 /nfs/dbraw/zinc/12/55/13/427125513.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000329479022 427125518 /nfs/dbraw/zinc/12/55/18/427125518.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n[nH]1 ZINC000329479022 427125522 /nfs/dbraw/zinc/12/55/22/427125522.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n[nH]1 ZINC000329479022 427125527 /nfs/dbraw/zinc/12/55/27/427125527.db2.gz QIPSVNBGSDKUTE-BPLDGKMQSA-N 1 2 319.453 2.828 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)cc1 ZINC000338154127 427160866 /nfs/dbraw/zinc/16/08/66/427160866.db2.gz IPVAXYWDZBQEOZ-UHFFFAOYSA-N 1 2 318.380 2.787 20 30 DFEDLO CC[C@@H]1C[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC(=O)N1 ZINC000329595660 427147938 /nfs/dbraw/zinc/14/79/38/427147938.db2.gz OYKWJTRKSLQEEG-MJBXVCDLSA-N 1 2 316.405 2.762 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)/C=C/c2cccc(C#N)c2)CC1(C)C ZINC000296350397 427155328 /nfs/dbraw/zinc/15/53/28/427155328.db2.gz UBRHHGXOABFZQQ-OZSKJFCKSA-N 1 2 320.396 2.915 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(Cl)c(C#N)n2)CC1(C)C ZINC000296356025 427156059 /nfs/dbraw/zinc/15/60/59/427156059.db2.gz RNWCTWHYFVTKTI-ZDUSSCGKSA-N 1 2 301.781 2.928 20 30 DFEDLO CCc1nnc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)[nH]1 ZINC000190664125 427156647 /nfs/dbraw/zinc/15/66/47/427156647.db2.gz BKDBHJOVOZZCQG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000190664125 427156652 /nfs/dbraw/zinc/15/66/52/427156652.db2.gz BKDBHJOVOZZCQG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n[nH]1 ZINC000190664125 427156660 /nfs/dbraw/zinc/15/66/60/427156660.db2.gz BKDBHJOVOZZCQG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000190640236 271216081 /nfs/dbraw/zinc/21/60/81/271216081.db2.gz CCSNPTXJIIXFJZ-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000190640236 271216085 /nfs/dbraw/zinc/21/60/85/271216085.db2.gz CCSNPTXJIIXFJZ-INIZCTEOSA-N 1 2 316.401 2.873 20 30 DFEDLO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nncn1C ZINC000285398711 427220964 /nfs/dbraw/zinc/22/09/64/427220964.db2.gz OONYKRIGLZIXKI-AWEZNQCLSA-N 1 2 303.797 2.827 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285464769 427240450 /nfs/dbraw/zinc/24/04/50/427240450.db2.gz HBTNIJGHTGNMAK-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285464769 427240455 /nfs/dbraw/zinc/24/04/55/427240455.db2.gz HBTNIJGHTGNMAK-AWEZNQCLSA-N 1 2 316.298 2.977 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338330575 427261359 /nfs/dbraw/zinc/26/13/59/427261359.db2.gz DMVNJSVXNLXWKW-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338330575 427261366 /nfs/dbraw/zinc/26/13/66/427261366.db2.gz DMVNJSVXNLXWKW-AWEZNQCLSA-N 1 2 318.392 2.609 20 30 DFEDLO Cc1cc(NC(=O)NCC(C)(C)O)c[nH+]c1N1CCCC[C@H]1C ZINC000330770384 427302874 /nfs/dbraw/zinc/30/28/74/427302874.db2.gz BDVYLZZOXQCXAB-CYBMUJFWSA-N 1 2 320.437 2.866 20 30 DFEDLO C[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H]1C ZINC000330940581 427318265 /nfs/dbraw/zinc/31/82/65/427318265.db2.gz XQZVQBDBVXYKAU-MNOVXSKESA-N 1 2 318.343 2.980 20 30 DFEDLO C[C@@H]1[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCOC1(C)C ZINC000331047533 427332523 /nfs/dbraw/zinc/33/25/23/427332523.db2.gz IYXOHOGSPKOOSO-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H]1[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCOC1(C)C ZINC000331047533 427332527 /nfs/dbraw/zinc/33/25/27/427332527.db2.gz IYXOHOGSPKOOSO-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C=CCOCCCC(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000277847690 427337452 /nfs/dbraw/zinc/33/74/52/427337452.db2.gz AKKBCHAAPIFQPO-MRXNPFEDSA-N 1 2 317.433 2.935 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000191390348 427337755 /nfs/dbraw/zinc/33/77/55/427337755.db2.gz NPBASONSIBDESH-SCLBCKFNSA-N 1 2 313.376 2.998 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000191390348 427337759 /nfs/dbraw/zinc/33/77/59/427337759.db2.gz NPBASONSIBDESH-SCLBCKFNSA-N 1 2 313.376 2.998 20 30 DFEDLO CC[C@@H](C)n1ncc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1C ZINC000331101019 427345095 /nfs/dbraw/zinc/34/50/95/427345095.db2.gz OQYCLEUQWUVPFW-CYBMUJFWSA-N 1 2 322.453 2.578 20 30 DFEDLO CC[C@@H](C)n1ncc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1C ZINC000331101019 427345099 /nfs/dbraw/zinc/34/50/99/427345099.db2.gz OQYCLEUQWUVPFW-CYBMUJFWSA-N 1 2 322.453 2.578 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C ZINC000331116415 427347301 /nfs/dbraw/zinc/34/73/01/427347301.db2.gz VRXJTUBUGMJGMN-ZDUSSCGKSA-N 1 2 322.453 2.578 20 30 DFEDLO CC[C@H](C)n1ncc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C ZINC000331116415 427347305 /nfs/dbraw/zinc/34/73/05/427347305.db2.gz VRXJTUBUGMJGMN-ZDUSSCGKSA-N 1 2 322.453 2.578 20 30 DFEDLO Cc1cc(NC(=O)NCCCCO)c[nH+]c1N1CCCC[C@@H]1C ZINC000331120003 427350738 /nfs/dbraw/zinc/35/07/38/427350738.db2.gz FZMQUILSXYIKJF-AWEZNQCLSA-N 1 2 320.437 2.867 20 30 DFEDLO Cc1cc(C[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]n1 ZINC000331241826 427378493 /nfs/dbraw/zinc/37/84/93/427378493.db2.gz QQFZDNJXFOPFSE-LLVKDONJSA-N 1 2 301.394 2.995 20 30 DFEDLO Cc1cc(C[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)n[nH]1 ZINC000331241826 427378499 /nfs/dbraw/zinc/37/84/99/427378499.db2.gz QQFZDNJXFOPFSE-LLVKDONJSA-N 1 2 301.394 2.995 20 30 DFEDLO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000331256288 427383226 /nfs/dbraw/zinc/38/32/26/427383226.db2.gz ZIYLQVRDHPEMKH-GFCCVEGCSA-N 1 2 311.813 2.613 20 30 DFEDLO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000331256288 427383231 /nfs/dbraw/zinc/38/32/31/427383231.db2.gz ZIYLQVRDHPEMKH-GFCCVEGCSA-N 1 2 311.813 2.613 20 30 DFEDLO COc1c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)nn1C ZINC000331289738 427393614 /nfs/dbraw/zinc/39/36/14/427393614.db2.gz AXUASBRQLVTDFR-UHFFFAOYSA-N 1 2 317.393 2.583 20 30 DFEDLO Cc1nc(C(C)(C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000331326949 427399739 /nfs/dbraw/zinc/39/97/39/427399739.db2.gz MZHHRKXPKPWHKM-UHFFFAOYSA-N 1 2 303.366 2.769 20 30 DFEDLO CCOc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1C ZINC000331353606 427401685 /nfs/dbraw/zinc/40/16/85/427401685.db2.gz PBTFARFUSJCBAO-UHFFFAOYSA-N 1 2 320.433 2.809 20 30 DFEDLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455430 427415427 /nfs/dbraw/zinc/41/54/27/427415427.db2.gz AJYFCCUVIUCGCK-KSSFIOAISA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cnc([C@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455430 427415434 /nfs/dbraw/zinc/41/54/34/427415434.db2.gz AJYFCCUVIUCGCK-KSSFIOAISA-N 1 2 308.385 2.791 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000191746905 427417639 /nfs/dbraw/zinc/41/76/39/427417639.db2.gz FAYPSNHRONLKKY-MRXNPFEDSA-N 1 2 316.405 2.721 20 30 DFEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000191746905 427417644 /nfs/dbraw/zinc/41/76/44/427417644.db2.gz FAYPSNHRONLKKY-MRXNPFEDSA-N 1 2 316.405 2.721 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)CC3CCCC3)CCO2)c1 ZINC000331467030 427418217 /nfs/dbraw/zinc/41/82/17/427418217.db2.gz VLKVGMVXACZFJK-RBUKOAKNSA-N 1 2 314.429 2.873 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)CC3CCCC3)CCO2)c1 ZINC000331467030 427418224 /nfs/dbraw/zinc/41/82/24/427418224.db2.gz VLKVGMVXACZFJK-RBUKOAKNSA-N 1 2 314.429 2.873 20 30 DFEDLO COC(=O)c1coc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000338732301 427461010 /nfs/dbraw/zinc/46/10/10/427461010.db2.gz HQXAFIVRNVTEBU-UHFFFAOYSA-N 1 2 302.305 2.709 20 30 DFEDLO COC(=O)c1coc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000338732301 427461014 /nfs/dbraw/zinc/46/10/14/427461014.db2.gz HQXAFIVRNVTEBU-UHFFFAOYSA-N 1 2 302.305 2.709 20 30 DFEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)o2)CC12CCCCC2 ZINC000271265920 427473186 /nfs/dbraw/zinc/47/31/86/427473186.db2.gz LXSRPIOCTLNRIV-UHFFFAOYSA-N 1 2 301.390 2.518 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OC ZINC000271181660 427435161 /nfs/dbraw/zinc/43/51/61/427435161.db2.gz HSVXZVPPBCNVGX-VVYDWRJNSA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1OC ZINC000271181660 427435166 /nfs/dbraw/zinc/43/51/66/427435166.db2.gz HSVXZVPPBCNVGX-VVYDWRJNSA-N 1 2 323.458 2.601 20 30 DFEDLO COc1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191883256 427439777 /nfs/dbraw/zinc/43/97/77/427439777.db2.gz IITKWOUXGAJOAG-UHFFFAOYSA-N 1 2 306.409 2.869 20 30 DFEDLO Cc1cc(C#N)nc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC000286343583 427499723 /nfs/dbraw/zinc/49/97/23/427499723.db2.gz KNSNBSOHPQXWRT-UHFFFAOYSA-N 1 2 322.416 2.900 20 30 DFEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cnn1CC(C)C ZINC000341261195 271805490 /nfs/dbraw/zinc/80/54/90/271805490.db2.gz NLAPHWNNWDLOML-UHFFFAOYSA-N 1 2 308.389 2.979 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278977219 427520144 /nfs/dbraw/zinc/52/01/44/427520144.db2.gz QUBFPDWFSGZHJZ-HTQZYQBOSA-N 1 2 307.341 2.503 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298172215 427525436 /nfs/dbraw/zinc/52/54/36/427525436.db2.gz RPWXXOOMOAISCQ-LLVKDONJSA-N 1 2 316.323 2.708 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298172215 427525441 /nfs/dbraw/zinc/52/54/41/427525441.db2.gz RPWXXOOMOAISCQ-LLVKDONJSA-N 1 2 316.323 2.708 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000279090436 427555749 /nfs/dbraw/zinc/55/57/49/427555749.db2.gz UGCZMCGONUJRQC-UHFFFAOYSA-N 1 2 304.393 2.626 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000263683294 427538273 /nfs/dbraw/zinc/53/82/73/427538273.db2.gz JLSPYFBEMAVTBL-MRXNPFEDSA-N 1 2 324.428 2.692 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000263683294 427538278 /nfs/dbraw/zinc/53/82/78/427538278.db2.gz JLSPYFBEMAVTBL-MRXNPFEDSA-N 1 2 324.428 2.692 20 30 DFEDLO C=CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000271467393 427550689 /nfs/dbraw/zinc/55/06/89/427550689.db2.gz QPRAJIOBVWUYIY-UHFFFAOYSA-N 1 2 300.406 2.542 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278886326 427489057 /nfs/dbraw/zinc/48/90/57/427489057.db2.gz PTCYXNJMYUSZFY-LLVKDONJSA-N 1 2 315.186 2.973 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278886326 427489061 /nfs/dbraw/zinc/48/90/61/427489061.db2.gz PTCYXNJMYUSZFY-LLVKDONJSA-N 1 2 315.186 2.973 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338921306 427559994 /nfs/dbraw/zinc/55/99/94/427559994.db2.gz TUCRGEBWTVQABT-UHFFFAOYSA-N 1 2 309.329 2.654 20 30 DFEDLO CCc1cc(N)nc(SCc2ccc(OC)c(C#N)c2)[nH+]1 ZINC000279143764 427572256 /nfs/dbraw/zinc/57/22/56/427572256.db2.gz YPVJGHKOPLUPBE-UHFFFAOYSA-N 1 2 300.387 2.794 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000263812414 427578658 /nfs/dbraw/zinc/57/86/58/427578658.db2.gz UUHNGCRCDXMFLJ-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000279167726 427582085 /nfs/dbraw/zinc/58/20/85/427582085.db2.gz CELBTRDNEZRHGV-NVXWUHKLSA-N 1 2 319.449 2.665 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000279218634 427602341 /nfs/dbraw/zinc/60/23/41/427602341.db2.gz HSBPAVNKJZFQBY-UHFFFAOYSA-N 1 2 305.378 2.718 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000279218634 427602348 /nfs/dbraw/zinc/60/23/48/427602348.db2.gz HSBPAVNKJZFQBY-UHFFFAOYSA-N 1 2 305.378 2.718 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C2CC2)O1 ZINC000279224780 427603334 /nfs/dbraw/zinc/60/33/34/427603334.db2.gz DFKFHXTYZFMTFD-MLGOLLRUSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C2CC2)O1 ZINC000279224780 427603338 /nfs/dbraw/zinc/60/33/38/427603338.db2.gz DFKFHXTYZFMTFD-MLGOLLRUSA-N 1 2 324.384 2.608 20 30 DFEDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000279232778 427606323 /nfs/dbraw/zinc/60/63/23/427606323.db2.gz DYINEGZZGTVHET-MRXNPFEDSA-N 1 2 321.446 2.676 20 30 DFEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000279232778 427606331 /nfs/dbraw/zinc/60/63/31/427606331.db2.gz DYINEGZZGTVHET-MRXNPFEDSA-N 1 2 321.446 2.676 20 30 DFEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000279314960 427636554 /nfs/dbraw/zinc/63/65/54/427636554.db2.gz NMZKUIXIUXYYSH-INIZCTEOSA-N 1 2 321.808 2.651 20 30 DFEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000279314960 427636560 /nfs/dbraw/zinc/63/65/60/427636560.db2.gz NMZKUIXIUXYYSH-INIZCTEOSA-N 1 2 321.808 2.651 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000298540759 427643292 /nfs/dbraw/zinc/64/32/92/427643292.db2.gz NBDVMRVUPDMCIU-AWEZNQCLSA-N 1 2 307.825 2.887 20 30 DFEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000298540759 427643299 /nfs/dbraw/zinc/64/32/99/427643299.db2.gz NBDVMRVUPDMCIU-AWEZNQCLSA-N 1 2 307.825 2.887 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)cc2OC)n1 ZINC000279418861 427665922 /nfs/dbraw/zinc/66/59/22/427665922.db2.gz OTNDXUUSHXOVMD-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)cc2OC)n1 ZINC000279418861 427665926 /nfs/dbraw/zinc/66/59/26/427665926.db2.gz OTNDXUUSHXOVMD-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000298655486 427668484 /nfs/dbraw/zinc/66/84/84/427668484.db2.gz KGTDVBMLNZUOPD-UHFFFAOYSA-N 1 2 314.433 2.956 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729690 272048195 /nfs/dbraw/zinc/04/81/95/272048195.db2.gz YFNOVMOZWSBUAB-BJJXKVORSA-N 1 2 318.804 2.985 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729690 272048197 /nfs/dbraw/zinc/04/81/97/272048197.db2.gz YFNOVMOZWSBUAB-BJJXKVORSA-N 1 2 318.804 2.985 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Br)o2)n1 ZINC000279440931 427673858 /nfs/dbraw/zinc/67/38/58/427673858.db2.gz RLBXGFSTTPWEDD-UHFFFAOYSA-N 1 2 322.206 2.894 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Br)o2)n1 ZINC000279440931 427673863 /nfs/dbraw/zinc/67/38/63/427673863.db2.gz RLBXGFSTTPWEDD-UHFFFAOYSA-N 1 2 322.206 2.894 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000287723522 427679857 /nfs/dbraw/zinc/67/98/57/427679857.db2.gz KEODAICNNGYCKF-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000287723522 427679864 /nfs/dbraw/zinc/67/98/64/427679864.db2.gz KEODAICNNGYCKF-HZMBPMFUSA-N 1 2 309.207 2.523 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000344571061 272340399 /nfs/dbraw/zinc/34/03/99/272340399.db2.gz RMHWMGJGJIOEEY-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000344571061 272340402 /nfs/dbraw/zinc/34/04/02/272340402.db2.gz RMHWMGJGJIOEEY-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)on1 ZINC000339141411 427698633 /nfs/dbraw/zinc/69/86/33/427698633.db2.gz NIWASOUXBXUUKF-OAHLLOKOSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)on1 ZINC000339141411 427698639 /nfs/dbraw/zinc/69/86/39/427698639.db2.gz NIWASOUXBXUUKF-OAHLLOKOSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1nnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(C#N)c1C ZINC000301166011 427780052 /nfs/dbraw/zinc/78/00/52/427780052.db2.gz VKWQWCOBQWVXOH-UHFFFAOYSA-N 1 2 323.400 2.541 20 30 DFEDLO N#Cc1cccc(Cl)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000301207242 427781476 /nfs/dbraw/zinc/78/14/76/427781476.db2.gz RBAZOLYJUCVGPN-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc(C)cs2)C1=O ZINC000337121441 427801325 /nfs/dbraw/zinc/80/13/25/427801325.db2.gz AJWRWLATNIVTAO-UONOGXRCSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc(C)cs2)C1=O ZINC000337121441 427801328 /nfs/dbraw/zinc/80/13/28/427801328.db2.gz AJWRWLATNIVTAO-UONOGXRCSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1=O ZINC000337163110 427807866 /nfs/dbraw/zinc/80/78/66/427807866.db2.gz WGJKKPGRPCVEQM-MSOLQXFVSA-N 1 2 307.397 2.548 20 30 DFEDLO CNC(=O)c1ccc(CN(C)c2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301696006 427817037 /nfs/dbraw/zinc/81/70/37/427817037.db2.gz YRDZMKYOWBUMOS-UHFFFAOYSA-N 1 2 308.385 2.566 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)C1=O ZINC000337232216 427818986 /nfs/dbraw/zinc/81/89/86/427818986.db2.gz VHUOJVPGQBRNLP-GFCCVEGCSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)C1=O ZINC000337232216 427818988 /nfs/dbraw/zinc/81/89/88/427818988.db2.gz VHUOJVPGQBRNLP-GFCCVEGCSA-N 1 2 317.414 2.622 20 30 DFEDLO Cc1cc(NCCCOCC2CCOCC2)c(C#N)c(C)[nH+]1 ZINC000301754889 427821522 /nfs/dbraw/zinc/82/15/22/427821522.db2.gz CTQNPXWQORKOLG-UHFFFAOYSA-N 1 2 303.406 2.815 20 30 DFEDLO Cc1cc(NCC(=O)N2CCc3ccccc3C2)c(C#N)c(C)[nH+]1 ZINC000301751463 427822060 /nfs/dbraw/zinc/82/20/60/427822060.db2.gz 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/nfs/dbraw/zinc/85/90/01/427859001.db2.gz PIJBRDWGBDABPO-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359530950 427893117 /nfs/dbraw/zinc/89/31/17/427893117.db2.gz NZGXPENCQRJREN-OAHLLOKOSA-N 1 2 318.323 2.668 20 30 DFEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccccc1 ZINC000337583000 427969802 /nfs/dbraw/zinc/96/98/02/427969802.db2.gz JRXKNSHPUQHLSI-QFBILLFUSA-N 1 2 321.424 2.914 20 30 DFEDLO CC(C)(C#N)Cc1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000350190234 427936242 /nfs/dbraw/zinc/93/62/42/427936242.db2.gz KMOKBXBRXZURPM-CQSZACIVSA-N 1 2 318.421 2.868 20 30 DFEDLO CC(C)(C#N)Cc1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000350190234 427936250 /nfs/dbraw/zinc/93/62/50/427936250.db2.gz KMOKBXBRXZURPM-CQSZACIVSA-N 1 2 318.421 2.868 20 30 DFEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)cc1Cl ZINC000337504510 427936661 /nfs/dbraw/zinc/93/66/61/427936661.db2.gz NWBGWHMURHRDGA-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(F)cc1Cl ZINC000337504510 427936667 /nfs/dbraw/zinc/93/66/67/427936667.db2.gz NWBGWHMURHRDGA-MRXNPFEDSA-N 1 2 323.799 2.719 20 30 DFEDLO Cc1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1C ZINC000341256403 428028608 /nfs/dbraw/zinc/02/86/08/428028608.db2.gz HQYWNNFHXSKRCR-UHFFFAOYSA-N 1 2 307.319 2.889 20 30 DFEDLO Cc1c[nH+]c(CNCC#Cc2ccc(C(F)(F)F)cc2)n1C ZINC000341256403 428028614 /nfs/dbraw/zinc/02/86/14/428028614.db2.gz HQYWNNFHXSKRCR-UHFFFAOYSA-N 1 2 307.319 2.889 20 30 DFEDLO Cc1nc2[nH]ccc2c(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000341392629 428059055 /nfs/dbraw/zinc/05/90/55/428059055.db2.gz ZJAUEKRGKOTHNC-INIZCTEOSA-N 1 2 319.368 2.716 20 30 DFEDLO COc1cc(C)c(C[N@H+](C)Cc2nc(C#N)cs2)cc1OC ZINC000356065731 428007903 /nfs/dbraw/zinc/00/79/03/428007903.db2.gz PDPLNBVBDQOZKW-UHFFFAOYSA-N 1 2 317.414 2.972 20 30 DFEDLO COc1cc(C)c(C[N@@H+](C)Cc2nc(C#N)cs2)cc1OC ZINC000356065731 428007909 /nfs/dbraw/zinc/00/79/09/428007909.db2.gz PDPLNBVBDQOZKW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/10/80/53/428108053.db2.gz UZNIOJVAXXZMFG-BETUJISGSA-N 1 2 309.373 2.705 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000356296364 428109903 /nfs/dbraw/zinc/10/99/03/428109903.db2.gz CMRSQKKXKVTMIF-CQSZACIVSA-N 1 2 316.298 2.873 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000356296364 428109906 /nfs/dbraw/zinc/10/99/06/428109906.db2.gz CMRSQKKXKVTMIF-CQSZACIVSA-N 1 2 316.298 2.873 20 30 DFEDLO N#Cc1csc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000356303709 428116390 /nfs/dbraw/zinc/11/63/90/428116390.db2.gz NUUZHLAFUUXNFC-AWEZNQCLSA-N 1 2 313.430 2.954 20 30 DFEDLO C#CCCCc1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000370089541 428129920 /nfs/dbraw/zinc/12/99/20/428129920.db2.gz BHFMIHAHPDFNEJ-HNNXBMFYSA-N 1 2 303.406 2.732 20 30 DFEDLO C#CCCCc1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000370089541 428129923 /nfs/dbraw/zinc/12/99/23/428129923.db2.gz BHFMIHAHPDFNEJ-HNNXBMFYSA-N 1 2 303.406 2.732 20 30 DFEDLO CCCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000370432622 428210598 /nfs/dbraw/zinc/21/05/98/428210598.db2.gz GEINAWMAPMSFHE-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000370432622 428210602 /nfs/dbraw/zinc/21/06/02/428210602.db2.gz GEINAWMAPMSFHE-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000346539661 428211881 /nfs/dbraw/zinc/21/18/81/428211881.db2.gz FZDSROYXPIERQB-KKUMJFAQSA-N 1 2 322.474 2.760 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C#N)c1 ZINC000352702098 428213017 /nfs/dbraw/zinc/21/30/17/428213017.db2.gz RDVGYFLIVRWYFM-UHFFFAOYSA-N 1 2 309.369 2.820 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C#N)c1 ZINC000352702098 428213021 /nfs/dbraw/zinc/21/30/21/428213021.db2.gz RDVGYFLIVRWYFM-UHFFFAOYSA-N 1 2 309.369 2.820 20 30 DFEDLO CC(C)c1cnc(SC[C@H](O)C[N@H+](C)CCC#N)n1C(C)C ZINC000414148362 428220944 /nfs/dbraw/zinc/22/09/44/428220944.db2.gz NTEJTGRCPLSYPX-CQSZACIVSA-N 1 2 324.494 2.886 20 30 DFEDLO CC(C)c1cnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1C(C)C ZINC000414148362 428220945 /nfs/dbraw/zinc/22/09/45/428220945.db2.gz NTEJTGRCPLSYPX-CQSZACIVSA-N 1 2 324.494 2.886 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360275599 428233952 /nfs/dbraw/zinc/23/39/52/428233952.db2.gz CJDKNAKVXLEFCI-AWEZNQCLSA-N 1 2 310.401 2.831 20 30 DFEDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(C)(C)C#N)CC2)cc1 ZINC000360166289 428187859 /nfs/dbraw/zinc/18/78/59/428187859.db2.gz QISGWHKEBRPENA-UHFFFAOYSA-N 1 2 315.417 2.672 20 30 DFEDLO N#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360198133 428200339 /nfs/dbraw/zinc/20/03/39/428200339.db2.gz JMPDHAAUBGWBHM-ZDUSSCGKSA-N 1 2 321.371 2.739 20 30 DFEDLO N#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360198133 428200343 /nfs/dbraw/zinc/20/03/43/428200343.db2.gz JMPDHAAUBGWBHM-ZDUSSCGKSA-N 1 2 321.371 2.739 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000341983830 428269589 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C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346829518 428334384 /nfs/dbraw/zinc/33/43/84/428334384.db2.gz GOZCHHFEWXLNPF-GFCCVEGCSA-N 1 2 305.809 2.895 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000342299849 428391016 /nfs/dbraw/zinc/39/10/16/428391016.db2.gz YOXVHYZEAMQOEA-UHFFFAOYSA-N 1 2 303.369 2.834 20 30 DFEDLO N#Cc1cccc([C@@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000378443325 428399041 /nfs/dbraw/zinc/39/90/41/428399041.db2.gz MKSGTMPBUOIVEB-SFHVURJKSA-N 1 2 318.380 2.779 20 30 DFEDLO C#CCN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000360699201 428406309 /nfs/dbraw/zinc/40/63/09/428406309.db2.gz NQVKXJXYYBANIR-MRXNPFEDSA-N 1 2 311.429 2.702 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000346905269 428365737 /nfs/dbraw/zinc/36/57/37/428365737.db2.gz CELBTRDNEZRHGV-DOTOQJQBSA-N 1 2 319.449 2.665 20 30 DFEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000378351185 428373045 /nfs/dbraw/zinc/37/30/45/428373045.db2.gz 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COCCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000354033208 428832549 /nfs/dbraw/zinc/83/25/49/428832549.db2.gz JHELTJQSHYKNDL-AWEZNQCLSA-N 1 2 318.417 2.844 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CN1C(C)=O ZINC000354112492 428868418 /nfs/dbraw/zinc/86/84/18/428868418.db2.gz YSINNAMBSUXSRH-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CN1C(C)=O ZINC000354112492 428868421 /nfs/dbraw/zinc/86/84/21/428868421.db2.gz YSINNAMBSUXSRH-DLBZAZTESA-N 1 2 317.408 2.919 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974733 428898543 /nfs/dbraw/zinc/89/85/43/428898543.db2.gz APIVMEAVHSKROR-KBXCAEBGSA-N 1 2 309.369 2.540 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411974733 428898548 /nfs/dbraw/zinc/89/85/48/428898548.db2.gz APIVMEAVHSKROR-KBXCAEBGSA-N 1 2 309.369 2.540 20 30 DFEDLO C=CC[C@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349134338 428927257 /nfs/dbraw/zinc/92/72/57/428927257.db2.gz XCJVIBZMMXSGBJ-ZDUSSCGKSA-N 1 2 310.401 3.092 20 30 DFEDLO C=CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000359383340 428949319 /nfs/dbraw/zinc/94/93/19/428949319.db2.gz IRFOGOJGSUFIAI-ZDUSSCGKSA-N 1 2 300.406 2.566 20 30 DFEDLO C=CCN(CCC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000359383340 428949323 /nfs/dbraw/zinc/94/93/23/428949323.db2.gz IRFOGOJGSUFIAI-ZDUSSCGKSA-N 1 2 300.406 2.566 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349248008 428949541 /nfs/dbraw/zinc/94/95/41/428949541.db2.gz VFSMVPLBNDPAPC-OLZOCXBDSA-N 1 2 319.430 2.990 20 30 DFEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000359383339 428949891 /nfs/dbraw/zinc/94/98/91/428949891.db2.gz IRFOGOJGSUFIAI-CYBMUJFWSA-N 1 2 300.406 2.566 20 30 DFEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000359383339 428949895 /nfs/dbraw/zinc/94/98/95/428949895.db2.gz IRFOGOJGSUFIAI-CYBMUJFWSA-N 1 2 300.406 2.566 20 30 DFEDLO Cc1cc(CNC(=O)NCCc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000420856016 428969383 /nfs/dbraw/zinc/96/93/83/428969383.db2.gz CDAQPTRKQBOPQA-UHFFFAOYSA-N 1 2 308.385 2.612 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000375785156 428970636 /nfs/dbraw/zinc/97/06/36/428970636.db2.gz AQOOLIWYVIEDHD-KRWDZBQOSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000375785156 428970641 /nfs/dbraw/zinc/97/06/41/428970641.db2.gz AQOOLIWYVIEDHD-KRWDZBQOSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc([C@@](C)([NH2+]CCOc2ccc(C#N)cc2)C2CC2)no1 ZINC000433295013 429020863 /nfs/dbraw/zinc/02/08/63/429020863.db2.gz NYZRRTIQRGOFAV-KRWDZBQOSA-N 1 2 312.373 2.544 20 30 DFEDLO Cc1nc([C@](C)([NH2+]CCOc2ccc(C#N)cc2)C2CC2)no1 ZINC000433295015 429020901 /nfs/dbraw/zinc/02/09/01/429020901.db2.gz NYZRRTIQRGOFAV-QGZVFWFLSA-N 1 2 312.373 2.544 20 30 DFEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189969 429031703 /nfs/dbraw/zinc/03/17/03/429031703.db2.gz DCUXPZOXEYTCGB-DJJJIMSYSA-N 1 2 321.380 2.687 20 30 DFEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355189969 429031706 /nfs/dbraw/zinc/03/17/06/429031706.db2.gz DCUXPZOXEYTCGB-DJJJIMSYSA-N 1 2 321.380 2.687 20 30 DFEDLO CC[C@H]1C[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420959219 428975806 /nfs/dbraw/zinc/97/58/06/428975806.db2.gz PYDCBHDRLKSFJB-HOTGVXAUSA-N 1 2 321.465 2.561 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354438045 428984711 /nfs/dbraw/zinc/98/47/11/428984711.db2.gz KYVZCTGDUZAZJW-HUUCEWRRSA-N 1 2 319.453 2.543 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834700 428990960 /nfs/dbraw/zinc/99/09/60/428990960.db2.gz JDRPFQFJYNEZEU-DZGCQCFKSA-N 1 2 301.390 2.567 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834700 428990965 /nfs/dbraw/zinc/99/09/65/428990965.db2.gz JDRPFQFJYNEZEU-DZGCQCFKSA-N 1 2 301.390 2.567 20 30 DFEDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000421406358 428993595 /nfs/dbraw/zinc/99/35/95/428993595.db2.gz STIHKQMUOFQVRE-UHFFFAOYSA-N 1 2 301.369 2.895 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843696 428994598 /nfs/dbraw/zinc/99/45/98/428994598.db2.gz GQPRTHAOPWKIEI-HIFRSBDPSA-N 1 2 313.401 2.758 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451843696 428994604 /nfs/dbraw/zinc/99/46/04/428994604.db2.gz GQPRTHAOPWKIEI-HIFRSBDPSA-N 1 2 313.401 2.758 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355539275 429050290 /nfs/dbraw/zinc/05/02/90/429050290.db2.gz DMHAZRKNVGEBLU-UHFFFAOYSA-N 1 2 300.362 2.559 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355539275 429050292 /nfs/dbraw/zinc/05/02/92/429050292.db2.gz DMHAZRKNVGEBLU-UHFFFAOYSA-N 1 2 300.362 2.559 20 30 DFEDLO COc1ccc([C@@H](Nc2cc(C#N)ccn2)c2[nH+]ccn2C)cc1 ZINC000376080220 429053001 /nfs/dbraw/zinc/05/30/01/429053001.db2.gz NCACNPLUBYTCIQ-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000424135527 429096881 /nfs/dbraw/zinc/09/68/81/429096881.db2.gz JQDTUBFSAHHOJH-IMJJTQAJSA-N 1 2 323.820 2.605 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452093169 429055381 /nfs/dbraw/zinc/05/53/81/429055381.db2.gz IOGJPPPVKWHMTC-KBPBESRZSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452093169 429055383 /nfs/dbraw/zinc/05/53/83/429055383.db2.gz IOGJPPPVKWHMTC-KBPBESRZSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000292256418 335087052 /nfs/dbraw/zinc/08/70/52/335087052.db2.gz MSTWBHLYMWEALM-QGZVFWFLSA-N 1 2 316.445 2.778 20 30 DFEDLO Cn1c[nH+]c2c1CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000376238267 429082378 /nfs/dbraw/zinc/08/23/78/429082378.db2.gz BDJKFRWWFOTEPW-UHFFFAOYSA-N 1 2 315.764 2.535 20 30 DFEDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413096872 429138553 /nfs/dbraw/zinc/13/85/53/429138553.db2.gz BPTXAUXCJPARNH-UHFFFAOYSA-N 1 2 311.345 2.813 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435448032 429141125 /nfs/dbraw/zinc/14/11/25/429141125.db2.gz JFRYWCVVYALJQW-UHFFFAOYSA-N 1 2 306.325 2.575 20 30 DFEDLO C=C(CC)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000454276796 429163484 /nfs/dbraw/zinc/16/34/84/429163484.db2.gz MLCHVLIKPOCMIU-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000436146677 429183393 /nfs/dbraw/zinc/18/33/93/429183393.db2.gz MACHDJABPXKLTC-UHFFFAOYSA-N 1 2 306.325 2.780 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364362304 429190639 /nfs/dbraw/zinc/19/06/39/429190639.db2.gz MDCZEEBQUXUICO-UHFFFAOYSA-N 1 2 306.291 2.858 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364362304 429190642 /nfs/dbraw/zinc/19/06/42/429190642.db2.gz MDCZEEBQUXUICO-UHFFFAOYSA-N 1 2 306.291 2.858 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489067374 429217253 /nfs/dbraw/zinc/21/72/53/429217253.db2.gz CIMGCCMRFQGJQU-UHFFFAOYSA-N 1 2 306.369 2.790 20 30 DFEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC000439439826 429217819 /nfs/dbraw/zinc/21/78/19/429217819.db2.gz MUHUBPRJQVGKHT-UHFFFAOYSA-N 1 2 305.809 2.654 20 30 DFEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC000439439826 429217825 /nfs/dbraw/zinc/21/78/25/429217825.db2.gz MUHUBPRJQVGKHT-UHFFFAOYSA-N 1 2 305.809 2.654 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489083434 429219599 /nfs/dbraw/zinc/21/95/99/429219599.db2.gz VOKMUOJKKSGIDY-UHFFFAOYSA-N 1 2 324.359 2.929 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455900050 429221954 /nfs/dbraw/zinc/22/19/54/429221954.db2.gz BKCVNKKTAMIDIL-HNNXBMFYSA-N 1 2 309.373 2.759 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425115525 429234488 /nfs/dbraw/zinc/23/44/88/429234488.db2.gz UHOXAGVGTBXFJO-DOMZBBRYSA-N 1 2 308.385 2.921 20 30 DFEDLO CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1[nH]cc[nH+]1 ZINC000442810099 429237231 /nfs/dbraw/zinc/23/72/31/429237231.db2.gz MSLUQXHHBGFLFP-CYBMUJFWSA-N 1 2 300.387 2.906 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccsc1C(=O)OC ZINC000489440073 429242556 /nfs/dbraw/zinc/24/25/56/429242556.db2.gz ORFRLKXKNMXJBC-NSHDSACASA-N 1 2 308.403 2.514 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccsc1C(=O)OC ZINC000489440073 429242558 /nfs/dbraw/zinc/24/25/58/429242558.db2.gz ORFRLKXKNMXJBC-NSHDSACASA-N 1 2 308.403 2.514 20 30 DFEDLO COc1ccc([C@H](OC)[C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425246894 429251769 /nfs/dbraw/zinc/25/17/69/429251769.db2.gz MQOWIOYVNAQFCB-SCLBCKFNSA-N 1 2 311.385 2.880 20 30 DFEDLO C=CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000292256414 335087227 /nfs/dbraw/zinc/08/72/27/335087227.db2.gz MSTWBHLYMWEALM-KRWDZBQOSA-N 1 2 316.445 2.778 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364987474 429272032 /nfs/dbraw/zinc/27/20/32/429272032.db2.gz VBQCBIWWADBLCS-QGZVFWFLSA-N 1 2 320.396 2.532 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692567 429274978 /nfs/dbraw/zinc/27/49/78/429274978.db2.gz CBFODEAJLGFYOG-SJCJKPOMSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692567 429274983 /nfs/dbraw/zinc/27/49/83/429274983.db2.gz CBFODEAJLGFYOG-SJCJKPOMSA-N 1 2 323.387 2.840 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444727780 429276958 /nfs/dbraw/zinc/27/69/58/429276958.db2.gz CNYPCTUOZXNIJA-CQSZACIVSA-N 1 2 305.397 2.574 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444727780 429276963 /nfs/dbraw/zinc/27/69/63/429276963.db2.gz CNYPCTUOZXNIJA-CQSZACIVSA-N 1 2 305.397 2.574 20 30 DFEDLO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449038154 429323389 /nfs/dbraw/zinc/32/33/89/429323389.db2.gz RYMSBLIKIPJDRC-KGLIPLIRSA-N 1 2 320.458 2.818 20 30 DFEDLO C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449038154 429323394 /nfs/dbraw/zinc/32/33/94/429323394.db2.gz RYMSBLIKIPJDRC-KGLIPLIRSA-N 1 2 320.458 2.818 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038155 429323653 /nfs/dbraw/zinc/32/36/53/429323653.db2.gz RYMSBLIKIPJDRC-UONOGXRCSA-N 1 2 320.458 2.818 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038155 429323656 /nfs/dbraw/zinc/32/36/56/429323656.db2.gz RYMSBLIKIPJDRC-UONOGXRCSA-N 1 2 320.458 2.818 20 30 DFEDLO C#CC[N@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491180053 429331000 /nfs/dbraw/zinc/33/10/00/429331000.db2.gz JKMMGOIJQWCUPJ-SFHVURJKSA-N 1 2 317.454 2.576 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491180053 429331005 /nfs/dbraw/zinc/33/10/05/429331005.db2.gz JKMMGOIJQWCUPJ-SFHVURJKSA-N 1 2 317.454 2.576 20 30 DFEDLO CN(C)c1cc(NC(=O)C2(C#N)CCC2)[nH+]cc1Br ZINC000456676318 429335877 /nfs/dbraw/zinc/33/58/77/429335877.db2.gz RPISNVWITFGEKT-UHFFFAOYSA-N 1 2 323.194 2.542 20 30 DFEDLO C#C[C@H](NC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000491298075 429346378 /nfs/dbraw/zinc/34/63/78/429346378.db2.gz TUHCBLGIDLEXCL-JKSUJKDBSA-N 1 2 310.401 2.798 20 30 DFEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(F)c1 ZINC000446765408 429300681 /nfs/dbraw/zinc/30/06/81/429300681.db2.gz NZMFFQZAMCRXDX-UHFFFAOYSA-N 1 2 314.335 2.887 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1cccc(F)c1 ZINC000446765408 429300685 /nfs/dbraw/zinc/30/06/85/429300685.db2.gz NZMFFQZAMCRXDX-UHFFFAOYSA-N 1 2 314.335 2.887 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000425468795 429303501 /nfs/dbraw/zinc/30/35/01/429303501.db2.gz FAUBSCHXECRQMY-OFQRWUPVSA-N 1 2 323.400 2.925 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000490897503 429312836 /nfs/dbraw/zinc/31/28/36/429312836.db2.gz CAFITGAMSDTOFV-KTKRTIGZSA-N 1 2 311.360 2.717 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC000496570496 429314625 /nfs/dbraw/zinc/31/46/25/429314625.db2.gz LCIDLKBNJYHHPV-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1C#N ZINC000496570496 429314631 /nfs/dbraw/zinc/31/46/31/429314631.db2.gz LCIDLKBNJYHHPV-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000491726632 429397995 /nfs/dbraw/zinc/39/79/95/429397995.db2.gz KGEQGXPFCAZLTP-HNNXBMFYSA-N 1 2 302.422 2.529 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CCOC)Cc1ccnn1C ZINC000426519563 429399326 /nfs/dbraw/zinc/39/93/26/429399326.db2.gz AGPQILBDVGCFIY-UHFFFAOYSA-N 1 2 315.417 2.634 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1ccnn1C ZINC000426519563 429399332 /nfs/dbraw/zinc/39/93/32/429399332.db2.gz AGPQILBDVGCFIY-UHFFFAOYSA-N 1 2 315.417 2.634 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)cc(C)c2)n1 ZINC000491738614 429400719 /nfs/dbraw/zinc/40/07/19/429400719.db2.gz GJPQBFVLJAPDFB-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)cc(C)c2)n1 ZINC000491738614 429400722 /nfs/dbraw/zinc/40/07/22/429400722.db2.gz GJPQBFVLJAPDFB-UHFFFAOYSA-N 1 2 311.429 2.782 20 30 DFEDLO C#CCOc1ccccc1C[N@H+](CC)Cc1ccn(CC#C)n1 ZINC000491785730 429409104 /nfs/dbraw/zinc/40/91/04/429409104.db2.gz SUZHIHOGAXEVHE-UHFFFAOYSA-N 1 2 307.397 2.550 20 30 DFEDLO C#CCOc1ccccc1C[N@@H+](CC)Cc1ccn(CC#C)n1 ZINC000491785730 429409108 /nfs/dbraw/zinc/40/91/08/429409108.db2.gz SUZHIHOGAXEVHE-UHFFFAOYSA-N 1 2 307.397 2.550 20 30 DFEDLO C#C[C@H](C)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000491371349 429353104 /nfs/dbraw/zinc/35/31/04/429353104.db2.gz DRSWCMAEWULPTK-JTQLQIEISA-N 1 2 300.431 2.606 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000491371349 429353109 /nfs/dbraw/zinc/35/31/09/429353109.db2.gz DRSWCMAEWULPTK-JTQLQIEISA-N 1 2 300.431 2.606 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccccc2F)n1 ZINC000491515218 429369273 /nfs/dbraw/zinc/36/92/73/429369273.db2.gz MNHAZORUYCPNMV-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccccc2F)n1 ZINC000491515218 429369274 /nfs/dbraw/zinc/36/92/74/429369274.db2.gz MNHAZORUYCPNMV-HNNXBMFYSA-N 1 2 315.392 2.865 20 30 DFEDLO CCc1cc(N)nc(SCCCOc2cccc(C#N)c2)[nH+]1 ZINC000514910513 429372685 /nfs/dbraw/zinc/37/26/85/429372685.db2.gz DWJIUKMWBQHAJC-UHFFFAOYSA-N 1 2 314.414 3.054 20 30 DFEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(O[C@@H]2CCOC2)c1 ZINC000515007432 429373026 /nfs/dbraw/zinc/37/30/26/429373026.db2.gz KWAVJJXKQDCBOM-NVXWUHKLSA-N 1 2 313.401 2.696 20 30 DFEDLO C#C[C@@H](CC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491553827 429373751 /nfs/dbraw/zinc/37/37/51/429373751.db2.gz DABVCWCVXDYRLO-ZBFHGGJFSA-N 1 2 315.417 2.613 20 30 DFEDLO C#C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000491569013 429374982 /nfs/dbraw/zinc/37/49/82/429374982.db2.gz TXXLECFHHHTJMS-MSOLQXFVSA-N 1 2 310.372 2.919 20 30 DFEDLO COc1cc2[nH+]ccc(NC[C@@H](C)C#N)c2cc1Br ZINC000515468574 429377386 /nfs/dbraw/zinc/37/73/86/429377386.db2.gz KFPWGKBVVMNJTG-VIFPVBQESA-N 1 2 320.190 2.999 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000517172150 429386921 /nfs/dbraw/zinc/38/69/21/429386921.db2.gz DRKPEGYPSXOZKS-SJCJKPOMSA-N 1 2 308.385 2.654 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000517172150 429386923 /nfs/dbraw/zinc/38/69/23/429386923.db2.gz DRKPEGYPSXOZKS-SJCJKPOMSA-N 1 2 308.385 2.654 20 30 DFEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000457377608 429454414 /nfs/dbraw/zinc/45/44/14/429454414.db2.gz CEDWJUUVLHWORR-HNNXBMFYSA-N 1 2 311.429 2.639 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@]1(C#N)CC13CCCC3)CCC2 ZINC000519521530 429460999 /nfs/dbraw/zinc/46/09/99/429460999.db2.gz UAYORFHCOQQQJQ-KDOFPFPSSA-N 1 2 312.417 2.659 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000366495932 429463401 /nfs/dbraw/zinc/46/34/01/429463401.db2.gz NJAXOANJXYEWME-NSHDSACASA-N 1 2 313.336 2.593 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000449431615 429417107 /nfs/dbraw/zinc/41/71/07/429417107.db2.gz YOVUJFONUOCEDJ-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000449431615 429417110 /nfs/dbraw/zinc/41/71/10/429417110.db2.gz YOVUJFONUOCEDJ-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO N#CC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000518878868 429437031 /nfs/dbraw/zinc/43/70/31/429437031.db2.gz PTQKIMJJWXYKRL-UHFFFAOYSA-N 1 2 319.434 2.554 20 30 DFEDLO C=CCC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C(=O)OCC ZINC000449659916 429472469 /nfs/dbraw/zinc/47/24/69/429472469.db2.gz WOPBIOKSYRVNLX-MRXNPFEDSA-N 1 2 304.390 2.633 20 30 DFEDLO C=CCC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OCC ZINC000449657706 429472680 /nfs/dbraw/zinc/47/26/80/429472680.db2.gz QJVSEMYHZZDBCL-QGZVFWFLSA-N 1 2 313.401 2.860 20 30 DFEDLO C=CCCCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427844701 429474737 /nfs/dbraw/zinc/47/47/37/429474737.db2.gz YCPKYXHYHZBVHP-HNNXBMFYSA-N 1 2 319.474 2.818 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000492137968 429475459 /nfs/dbraw/zinc/47/54/59/429475459.db2.gz KMQFOTGNLJXYCZ-YVMONPNESA-N 1 2 307.353 2.620 20 30 DFEDLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000519743509 429483422 /nfs/dbraw/zinc/48/34/22/429483422.db2.gz SCFPXJIZEOGADL-IRXDYDNUSA-N 1 2 309.417 2.878 20 30 DFEDLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000519743509 429483425 /nfs/dbraw/zinc/48/34/25/429483425.db2.gz SCFPXJIZEOGADL-IRXDYDNUSA-N 1 2 309.417 2.878 20 30 DFEDLO C=CCCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000366730840 429501345 /nfs/dbraw/zinc/50/13/45/429501345.db2.gz DWESDMAVLLAYJX-UHFFFAOYSA-N 1 2 302.422 2.660 20 30 DFEDLO CC#CCN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000457671512 429504905 /nfs/dbraw/zinc/50/49/05/429504905.db2.gz YDHJUTIMIMWHIN-UHFFFAOYSA-N 1 2 314.433 2.627 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000520316119 429509943 /nfs/dbraw/zinc/50/99/43/429509943.db2.gz LPSUDAZEERBNCD-GFCCVEGCSA-N 1 2 310.353 2.901 20 30 DFEDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000366968008 429550024 /nfs/dbraw/zinc/55/00/24/429550024.db2.gz BPESQOQVKARQSY-GOSISDBHSA-N 1 2 315.417 2.813 20 30 DFEDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000366968008 429550026 /nfs/dbraw/zinc/55/00/26/429550026.db2.gz BPESQOQVKARQSY-GOSISDBHSA-N 1 2 315.417 2.813 20 30 DFEDLO Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC000367024854 429560366 /nfs/dbraw/zinc/56/03/66/429560366.db2.gz UDDKZEOHOBKIHO-HNNXBMFYSA-N 1 2 322.412 2.695 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000450068174 429563179 /nfs/dbraw/zinc/56/31/79/429563179.db2.gz ODCRMCQKGHNSRC-DNVCBOLYSA-N 1 2 322.412 2.682 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000522004857 429574457 /nfs/dbraw/zinc/57/44/57/429574457.db2.gz AKYKIZFAKNXPIK-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000522004857 429574462 /nfs/dbraw/zinc/57/44/62/429574462.db2.gz AKYKIZFAKNXPIK-HZPDHXFCSA-N 1 2 315.373 2.856 20 30 DFEDLO Cc1cc(N2CCN(CC3(C#N)CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000450251168 429585557 /nfs/dbraw/zinc/58/55/57/429585557.db2.gz RLMPVWHRHHVOBT-UHFFFAOYSA-N 1 2 313.449 2.724 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)s1 ZINC000449899166 429534574 /nfs/dbraw/zinc/53/45/74/429534574.db2.gz AVTZJFKKVPOQEU-CXAGYDPISA-N 1 2 317.458 2.504 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000521190343 429540921 /nfs/dbraw/zinc/54/09/21/429540921.db2.gz GMHDLCMOPQKOLA-CVEARBPZSA-N 1 2 321.384 2.961 20 30 DFEDLO CCCCn1nnnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521195585 429541164 /nfs/dbraw/zinc/54/11/64/429541164.db2.gz IZAWJGSYIMOBOU-UHFFFAOYSA-N 1 2 312.421 2.755 20 30 DFEDLO CCCCn1nnnc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521195585 429541168 /nfs/dbraw/zinc/54/11/68/429541168.db2.gz IZAWJGSYIMOBOU-UHFFFAOYSA-N 1 2 312.421 2.755 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CC1 ZINC000492883612 429636631 /nfs/dbraw/zinc/63/66/31/429636631.db2.gz WVCNQKYTXUIPEC-JZLODUJNSA-N 1 2 306.369 2.572 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450501256 429639688 /nfs/dbraw/zinc/63/96/88/429639688.db2.gz PLYLSJACVXAINS-CZUORRHYSA-N 1 2 312.417 3.089 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)C1CC1 ZINC000492927345 429647049 /nfs/dbraw/zinc/64/70/49/429647049.db2.gz RPNOASMSRJTLEJ-NADMHLTPSA-N 1 2 306.369 2.572 20 30 DFEDLO C=CCC[C@@H](c1ccco1)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367604430 429682494 /nfs/dbraw/zinc/68/24/94/429682494.db2.gz BNROPLURDKOEOT-HOCLYGCPSA-N 1 2 316.405 2.972 20 30 DFEDLO C=CCC[C@@H](c1ccco1)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367604430 429682497 /nfs/dbraw/zinc/68/24/97/429682497.db2.gz BNROPLURDKOEOT-HOCLYGCPSA-N 1 2 316.405 2.972 20 30 DFEDLO CO[C@@H]1C[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498906 429699165 /nfs/dbraw/zinc/69/91/65/429699165.db2.gz AFBLFSADPSFXIP-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498906 429699170 /nfs/dbraw/zinc/69/91/70/429699170.db2.gz AFBLFSADPSFXIP-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccn4)no3)CC2)c1 ZINC000367645840 429692509 /nfs/dbraw/zinc/69/25/09/429692509.db2.gz OCDAAPUMRZDIPZ-UHFFFAOYSA-N 1 2 317.352 2.782 20 30 DFEDLO C=CCC1(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCCC1 ZINC000450840929 429711223 /nfs/dbraw/zinc/71/12/23/429711223.db2.gz ATIASZFRXDKLQB-OAHLLOKOSA-N 1 2 316.449 2.986 20 30 DFEDLO C=CCC1(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCCC1 ZINC000450840929 429711227 /nfs/dbraw/zinc/71/12/27/429711227.db2.gz ATIASZFRXDKLQB-OAHLLOKOSA-N 1 2 316.449 2.986 20 30 DFEDLO COC(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000475399589 429716253 /nfs/dbraw/zinc/71/62/53/429716253.db2.gz JCVMWVVRTLHLJH-ZFWWWQNUSA-N 1 2 305.805 2.823 20 30 DFEDLO COC(=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000475399589 429716255 /nfs/dbraw/zinc/71/62/55/429716255.db2.gz JCVMWVVRTLHLJH-ZFWWWQNUSA-N 1 2 305.805 2.823 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000367801976 429720138 /nfs/dbraw/zinc/72/01/38/429720138.db2.gz CJIYUBGVGGZDRN-CQSZACIVSA-N 1 2 303.431 2.693 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000367801976 429720142 /nfs/dbraw/zinc/72/01/42/429720142.db2.gz CJIYUBGVGGZDRN-CQSZACIVSA-N 1 2 303.431 2.693 20 30 DFEDLO C=CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367821941 429723382 /nfs/dbraw/zinc/72/33/82/429723382.db2.gz PGMDBZXVHITOLM-JKSUJKDBSA-N 1 2 321.371 2.728 20 30 DFEDLO C=CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367821941 429723387 /nfs/dbraw/zinc/72/33/87/429723387.db2.gz PGMDBZXVHITOLM-JKSUJKDBSA-N 1 2 321.371 2.728 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000367821933 429723496 /nfs/dbraw/zinc/72/34/96/429723496.db2.gz PGMDBZXVHITOLM-CVEARBPZSA-N 1 2 321.371 2.728 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000367821933 429723499 /nfs/dbraw/zinc/72/34/99/429723499.db2.gz PGMDBZXVHITOLM-CVEARBPZSA-N 1 2 321.371 2.728 20 30 DFEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000451283715 429802904 /nfs/dbraw/zinc/80/29/04/429802904.db2.gz NYLSGMOKBYWQQD-WOJBJXKFSA-N 1 2 309.384 2.838 20 30 DFEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000451283715 429802907 /nfs/dbraw/zinc/80/29/07/429802907.db2.gz NYLSGMOKBYWQQD-WOJBJXKFSA-N 1 2 309.384 2.838 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485869787 429747416 /nfs/dbraw/zinc/74/74/16/429747416.db2.gz MMBJLLWDHZSTKQ-GOSISDBHSA-N 1 2 319.832 2.819 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485869787 429747422 /nfs/dbraw/zinc/74/74/22/429747422.db2.gz MMBJLLWDHZSTKQ-GOSISDBHSA-N 1 2 319.832 2.819 20 30 DFEDLO C#Cc1ccc(C[NH2+][C@H](c2nnc(C)n2C)c2ccccc2)cc1 ZINC000368018572 429768935 /nfs/dbraw/zinc/76/89/35/429768935.db2.gz JUSOXOVEROQGSD-IBGZPJMESA-N 1 2 316.408 2.984 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)cc1 ZINC000368018232 429769160 /nfs/dbraw/zinc/76/91/60/429769160.db2.gz JEAMMTCYUJAAIK-INIZCTEOSA-N 1 2 311.385 2.748 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)cc1 ZINC000368018232 429769164 /nfs/dbraw/zinc/76/91/64/429769164.db2.gz JEAMMTCYUJAAIK-INIZCTEOSA-N 1 2 311.385 2.748 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493790347 429830143 /nfs/dbraw/zinc/83/01/43/429830143.db2.gz YFOJXAULRRJQLT-GQQIISMTSA-N 1 2 323.396 2.593 20 30 DFEDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(C)C ZINC000451601932 429860856 /nfs/dbraw/zinc/86/08/56/429860856.db2.gz HDJPLUNIYHNKPB-INIZCTEOSA-N 1 2 304.390 2.503 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000368620230 429879010 /nfs/dbraw/zinc/87/90/10/429879010.db2.gz XLBAEZOKSYCBPO-CQSZACIVSA-N 1 2 314.776 2.922 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498843 429893655 /nfs/dbraw/zinc/89/36/55/429893655.db2.gz ZOTSUNCRPZBKCW-WBVHZDCISA-N 1 2 324.346 2.890 20 30 DFEDLO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498843 429893656 /nfs/dbraw/zinc/89/36/56/429893656.db2.gz ZOTSUNCRPZBKCW-WBVHZDCISA-N 1 2 324.346 2.890 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1=O ZINC000528719378 429910187 /nfs/dbraw/zinc/91/01/87/429910187.db2.gz LOKLASLTLACNGX-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1=O ZINC000528719378 429910189 /nfs/dbraw/zinc/91/01/89/429910189.db2.gz LOKLASLTLACNGX-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO COc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1C#N ZINC000528741332 429911899 /nfs/dbraw/zinc/91/18/99/429911899.db2.gz XCBXRRFSAHKAQW-UHFFFAOYSA-N 1 2 320.396 2.793 20 30 DFEDLO COc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1C#N ZINC000528741332 429911900 /nfs/dbraw/zinc/91/19/00/429911900.db2.gz XCBXRRFSAHKAQW-UHFFFAOYSA-N 1 2 320.396 2.793 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cn2ccccc12 ZINC000528788208 429916336 /nfs/dbraw/zinc/91/63/36/429916336.db2.gz DJSHJTMCSKDPQE-KRWDZBQOSA-N 1 2 319.368 2.644 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cn2ccccc12 ZINC000528788208 429916337 /nfs/dbraw/zinc/91/63/37/429916337.db2.gz DJSHJTMCSKDPQE-KRWDZBQOSA-N 1 2 319.368 2.644 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000369166954 429917129 /nfs/dbraw/zinc/91/71/29/429917129.db2.gz MJRKSBJNFKPRAP-UHFFFAOYSA-N 1 2 309.373 2.902 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC=C(c3c(F)cccc3F)CC2)C1=O ZINC000369196481 429918779 /nfs/dbraw/zinc/91/87/79/429918779.db2.gz FRZTVRRQLZUWGN-INIZCTEOSA-N 1 2 318.367 2.841 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC=C(c3c(F)cccc3F)CC2)C1=O ZINC000369196481 429918781 /nfs/dbraw/zinc/91/87/81/429918781.db2.gz FRZTVRRQLZUWGN-INIZCTEOSA-N 1 2 318.367 2.841 20 30 DFEDLO COCCSCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369295946 429922911 /nfs/dbraw/zinc/92/29/11/429922911.db2.gz ZONZIQCVBAWUJA-JKSUJKDBSA-N 1 2 312.479 2.683 20 30 DFEDLO COCCSCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369295946 429922912 /nfs/dbraw/zinc/92/29/12/429922912.db2.gz ZONZIQCVBAWUJA-JKSUJKDBSA-N 1 2 312.479 2.683 20 30 DFEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000528333417 429874545 /nfs/dbraw/zinc/87/45/45/429874545.db2.gz GVPAXSNNULMWHA-CYBMUJFWSA-N 1 2 316.449 2.942 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(-c2ccccc2)cc1 ZINC000573835256 429987242 /nfs/dbraw/zinc/98/72/42/429987242.db2.gz MPKCXPJIRDRTEN-IBGZPJMESA-N 1 2 309.413 2.972 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(-c2ccccc2)cc1 ZINC000573835256 429987244 /nfs/dbraw/zinc/98/72/44/429987244.db2.gz MPKCXPJIRDRTEN-IBGZPJMESA-N 1 2 309.413 2.972 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573694691 429974572 /nfs/dbraw/zinc/97/45/72/429974572.db2.gz ACHFTXAXUQWFDR-LBPRGKRZSA-N 1 2 311.389 2.921 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573694691 429974576 /nfs/dbraw/zinc/97/45/76/429974576.db2.gz ACHFTXAXUQWFDR-LBPRGKRZSA-N 1 2 311.389 2.921 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1C ZINC000558863561 429992712 /nfs/dbraw/zinc/99/27/12/429992712.db2.gz ZFEGYJDJVGBODA-ZDUSSCGKSA-N 1 2 312.360 2.787 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)c1C ZINC000558863561 429992716 /nfs/dbraw/zinc/99/27/16/429992716.db2.gz ZFEGYJDJVGBODA-ZDUSSCGKSA-N 1 2 312.360 2.787 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000559074643 429998621 /nfs/dbraw/zinc/99/86/21/429998621.db2.gz RXEWJWAWGSKGLH-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000576923804 430108709 /nfs/dbraw/zinc/10/87/09/430108709.db2.gz AFWSSZPDPAZTDV-IRXDYDNUSA-N 1 2 324.428 2.685 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C[C@@H](C)C#N)C1CC1)C2 ZINC000530289134 430110787 /nfs/dbraw/zinc/11/07/87/430110787.db2.gz RTRXFFHDXIPTLH-QWHCGFSZSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C[C@@H](C)C#N)C1CC1)CC2 ZINC000530289134 430110791 /nfs/dbraw/zinc/11/07/91/430110791.db2.gz RTRXFFHDXIPTLH-QWHCGFSZSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CC#N)CC1)C2 ZINC000530292213 430110827 /nfs/dbraw/zinc/11/08/27/430110827.db2.gz KHTZHYMEHCDBFB-CQSZACIVSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CC#N)CC1)CC2 ZINC000530292213 430110830 /nfs/dbraw/zinc/11/08/30/430110830.db2.gz KHTZHYMEHCDBFB-CQSZACIVSA-N 1 2 314.433 2.790 20 30 DFEDLO C[C@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000532080217 430151113 /nfs/dbraw/zinc/15/11/13/430151113.db2.gz MXWYPYXBFSKHCB-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000532080217 430151118 /nfs/dbraw/zinc/15/11/18/430151118.db2.gz MXWYPYXBFSKHCB-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000562588914 430151891 /nfs/dbraw/zinc/15/18/91/430151891.db2.gz RLKWOKOEPMVFEV-SLEUVZQESA-N 1 2 309.373 2.821 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533025449 430156940 /nfs/dbraw/zinc/15/69/40/430156940.db2.gz GQTFXHPUMWWSHY-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533025449 430156945 /nfs/dbraw/zinc/15/69/45/430156945.db2.gz GQTFXHPUMWWSHY-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000533024040 430157255 /nfs/dbraw/zinc/15/72/55/430157255.db2.gz VBRZCVZXKZORAP-OAHLLOKOSA-N 1 2 311.410 2.875 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000533024040 430157259 /nfs/dbraw/zinc/15/72/59/430157259.db2.gz VBRZCVZXKZORAP-OAHLLOKOSA-N 1 2 311.410 2.875 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000537636387 430173868 /nfs/dbraw/zinc/17/38/68/430173868.db2.gz BPWRJAXKEHQUOA-UHFFFAOYSA-N 1 2 301.438 2.839 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000537636387 430173871 /nfs/dbraw/zinc/17/38/71/430173871.db2.gz BPWRJAXKEHQUOA-UHFFFAOYSA-N 1 2 301.438 2.839 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000562323107 430120837 /nfs/dbraw/zinc/12/08/37/430120837.db2.gz PIXUTSTYKDJNDT-CYBMUJFWSA-N 1 2 300.189 2.567 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000580090421 430129029 /nfs/dbraw/zinc/12/90/29/430129029.db2.gz UDEGDPWUQGWQAU-DOTOQJQBSA-N 1 2 305.397 2.921 20 30 DFEDLO C[C@@H](C#N)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000531543288 430145115 /nfs/dbraw/zinc/14/51/15/430145115.db2.gz MOXHBYMXVZWEJB-NEPJUHHUSA-N 1 2 321.450 2.656 20 30 DFEDLO C[C@@H](C#N)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000531543288 430145120 /nfs/dbraw/zinc/14/51/20/430145120.db2.gz MOXHBYMXVZWEJB-NEPJUHHUSA-N 1 2 321.450 2.656 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000581166796 430183059 /nfs/dbraw/zinc/18/30/59/430183059.db2.gz OTVPDZZYCWLKLJ-GOSISDBHSA-N 1 2 317.392 2.632 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000581166796 430183061 /nfs/dbraw/zinc/18/30/61/430183061.db2.gz OTVPDZZYCWLKLJ-GOSISDBHSA-N 1 2 317.392 2.632 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000563382287 430184263 /nfs/dbraw/zinc/18/42/63/430184263.db2.gz DZZIGUHGZMTBQI-IINYFYTJSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000563382287 430184268 /nfs/dbraw/zinc/18/42/68/430184268.db2.gz DZZIGUHGZMTBQI-IINYFYTJSA-N 1 2 302.765 2.623 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718814 430189323 /nfs/dbraw/zinc/18/93/23/430189323.db2.gz RWYVBHBEAWMPGH-KRWDZBQOSA-N 1 2 308.466 2.692 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718814 430189328 /nfs/dbraw/zinc/18/93/28/430189328.db2.gz RWYVBHBEAWMPGH-KRWDZBQOSA-N 1 2 308.466 2.692 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000543645468 430254407 /nfs/dbraw/zinc/25/44/07/430254407.db2.gz CPCZUMAHHGTLNK-GFCCVEGCSA-N 1 2 314.776 2.955 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000635261352 430241388 /nfs/dbraw/zinc/24/13/88/430241388.db2.gz ZHYDTNUTJREHFG-UHFFFAOYSA-N 1 2 303.406 2.746 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)nn1 ZINC000567662859 430286064 /nfs/dbraw/zinc/28/60/64/430286064.db2.gz YILOPIIBYBHWOV-SFHVURJKSA-N 1 2 324.428 2.956 20 30 DFEDLO N#Cc1cc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000544675263 430289927 /nfs/dbraw/zinc/28/99/27/430289927.db2.gz GZFNDLQZGQIPAT-GFCCVEGCSA-N 1 2 314.776 2.716 20 30 DFEDLO N#Cc1cccc(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000545626293 430324635 /nfs/dbraw/zinc/32/46/35/430324635.db2.gz CJFUJLULFGIYTP-UHFFFAOYSA-N 1 2 315.336 2.771 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CCSc2cccc(Cl)c2)nn1 ZINC000641112142 430331714 /nfs/dbraw/zinc/33/17/14/430331714.db2.gz FSGVFCIYDVZBNI-UHFFFAOYSA-N 1 2 320.849 2.837 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568985205 430411453 /nfs/dbraw/zinc/41/14/53/430411453.db2.gz OBNHBMGSLXHDNF-GFCCVEGCSA-N 1 2 321.359 2.859 20 30 DFEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568985205 430411458 /nfs/dbraw/zinc/41/14/58/430411458.db2.gz OBNHBMGSLXHDNF-GFCCVEGCSA-N 1 2 321.359 2.859 20 30 DFEDLO C=CCC[C@H](C(=O)NCc1c[nH+]c(C)nc1N)c1ccccc1 ZINC000583026766 430357504 /nfs/dbraw/zinc/35/75/04/430357504.db2.gz MVDUEIWCIFTKOC-INIZCTEOSA-N 1 2 310.401 2.733 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890923 430404103 /nfs/dbraw/zinc/40/41/03/430404103.db2.gz CHWLMQXVWJVCEB-WBVHZDCISA-N 1 2 302.418 2.740 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890923 430404104 /nfs/dbraw/zinc/40/41/04/430404104.db2.gz CHWLMQXVWJVCEB-WBVHZDCISA-N 1 2 302.418 2.740 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000568980486 430410395 /nfs/dbraw/zinc/41/03/95/430410395.db2.gz YTHFKFQEPHLQAX-OAHLLOKOSA-N 1 2 308.834 2.920 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000568980486 430410399 /nfs/dbraw/zinc/41/03/99/430410399.db2.gz YTHFKFQEPHLQAX-OAHLLOKOSA-N 1 2 308.834 2.920 20 30 DFEDLO CC(C)[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000583938443 430443727 /nfs/dbraw/zinc/44/37/27/430443727.db2.gz XLCZVSZDUYFVFJ-WMZOPIPTSA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000583980825 430446480 /nfs/dbraw/zinc/44/64/80/430446480.db2.gz OYYMDOBTLVABQI-ZMZPIMSZSA-N 1 2 308.385 2.617 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000569441004 430452773 /nfs/dbraw/zinc/45/27/73/430452773.db2.gz WEWZMTFGFPGDKX-GXFFZTMASA-N 1 2 311.345 2.591 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635959426 430422553 /nfs/dbraw/zinc/42/25/53/430422553.db2.gz HHKMRZTVDBTOHS-QGZVFWFLSA-N 1 2 316.445 2.988 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635959426 430422559 /nfs/dbraw/zinc/42/25/59/430422559.db2.gz HHKMRZTVDBTOHS-QGZVFWFLSA-N 1 2 316.445 2.988 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000548615811 430486352 /nfs/dbraw/zinc/48/63/52/430486352.db2.gz JPHAUKYXJLODQN-CYBMUJFWSA-N 1 2 314.776 2.575 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252046 430496047 /nfs/dbraw/zinc/49/60/47/430496047.db2.gz QMSHXZDAGYIQEE-MAUKXSAKSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636252046 430496053 /nfs/dbraw/zinc/49/60/53/430496053.db2.gz QMSHXZDAGYIQEE-MAUKXSAKSA-N 1 2 314.429 2.694 20 30 DFEDLO C=CCN(CCOC)c1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642253597 430508017 /nfs/dbraw/zinc/50/80/17/430508017.db2.gz AIBASDOJOSFKJS-UHFFFAOYSA-N 1 2 300.337 2.889 20 30 DFEDLO CCc1[nH+]c2cc(CNc3cc(C#N)cnn3)ccc2n1C1CC1 ZINC000596226589 430509454 /nfs/dbraw/zinc/50/94/54/430509454.db2.gz JQHACKNGPOHPHH-UHFFFAOYSA-N 1 2 318.384 3.207 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000552238343 430591353 /nfs/dbraw/zinc/59/13/53/430591353.db2.gz CEUISPMIPDXHSJ-CYBMUJFWSA-N 1 2 321.384 2.914 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000572644057 430693884 /nfs/dbraw/zinc/69/38/84/430693884.db2.gz DMFIEDSNLOSDHS-UHFFFAOYSA-N 1 2 321.384 2.632 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000572644057 430693886 /nfs/dbraw/zinc/69/38/86/430693886.db2.gz DMFIEDSNLOSDHS-UHFFFAOYSA-N 1 2 321.384 2.632 20 30 DFEDLO CCn1c(NC(=O)C[C@H](C)n2cc[nH+]c2)nc2cc(C#N)ccc21 ZINC000572885765 430698066 /nfs/dbraw/zinc/69/80/66/430698066.db2.gz MKSGONOTOYYVBT-LBPRGKRZSA-N 1 2 322.372 2.714 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651326022 430767283 /nfs/dbraw/zinc/76/72/83/430767283.db2.gz XAXSDUVZVOOHQN-GOEBONIOSA-N 1 2 312.417 2.968 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658137743 430823688 /nfs/dbraw/zinc/82/36/88/430823688.db2.gz LKXNYZSXJHDYBG-ZBFHGGJFSA-N 1 2 315.417 2.888 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)nn1 ZINC000651835525 430894212 /nfs/dbraw/zinc/89/42/12/430894212.db2.gz OYOGBFCMCYJSEL-UHFFFAOYSA-N 1 2 322.416 2.556 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662092652 430957579 /nfs/dbraw/zinc/95/75/79/430957579.db2.gz LVZSJHFBZBOQHE-OAHLLOKOSA-N 1 2 312.417 2.921 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000665899687 431062198 /nfs/dbraw/zinc/06/21/98/431062198.db2.gz XSELIXKQXWBPKR-INIZCTEOSA-N 1 2 324.428 2.675 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215497 431324991 /nfs/dbraw/zinc/32/49/91/431324991.db2.gz KOKAJVGQLYEQIR-JKSUJKDBSA-N 1 2 323.481 2.531 20 30 DFEDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000268257684 279728900 /nfs/dbraw/zinc/72/89/00/279728900.db2.gz LNXBHFGDEXWTMU-LRDDRELGSA-N 1 2 311.345 2.750 20 30 DFEDLO C=CCCn1cc(CN2CCCC[C@@H]2c2c[nH+]cn2CC)nn1 ZINC000653531044 431422079 /nfs/dbraw/zinc/42/20/79/431422079.db2.gz WMQIGYWNMSCACY-MRXNPFEDSA-N 1 2 314.437 2.798 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)nn1 ZINC000653534364 431424026 /nfs/dbraw/zinc/42/40/26/431424026.db2.gz ILBPKFVFRPLFAQ-GOSISDBHSA-N 1 2 312.417 2.600 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)nn1 ZINC000653534364 431424032 /nfs/dbraw/zinc/42/40/32/431424032.db2.gz ILBPKFVFRPLFAQ-GOSISDBHSA-N 1 2 312.417 2.600 20 30 DFEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)nn1 ZINC000653482726 431398633 /nfs/dbraw/zinc/39/86/33/431398633.db2.gz CMMGHUHYAGLPCB-UHFFFAOYSA-N 1 2 324.428 2.949 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2Cl)C1=O ZINC000660464191 431444318 /nfs/dbraw/zinc/44/43/18/431444318.db2.gz LHZDLJOXEXCQCR-ZDUSSCGKSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OC)c2Cl)C1=O ZINC000660464191 431444323 /nfs/dbraw/zinc/44/43/23/431444323.db2.gz LHZDLJOXEXCQCR-ZDUSSCGKSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2OC)nn1 ZINC000653601897 431452967 /nfs/dbraw/zinc/45/29/67/431452967.db2.gz COMGMLFYHGREHE-GFCCVEGCSA-N 1 2 304.369 2.853 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)nn1 ZINC000653622595 431466474 /nfs/dbraw/zinc/46/64/74/431466474.db2.gz KOOPMZYWAZSSPN-IBGZPJMESA-N 1 2 324.428 2.876 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)nn1 ZINC000653622595 431466479 /nfs/dbraw/zinc/46/64/79/431466479.db2.gz KOOPMZYWAZSSPN-IBGZPJMESA-N 1 2 324.428 2.876 20 30 DFEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2cc[nH+]c2)c1C#N ZINC000011407969 280223601 /nfs/dbraw/zinc/22/36/01/280223601.db2.gz JORXCHJUMOWQJM-UHFFFAOYSA-N 1 2 311.389 2.927 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000357356426 280261165 /nfs/dbraw/zinc/26/11/65/280261165.db2.gz QWBZDPCVNUQFBR-UHFFFAOYSA-N 1 2 322.393 2.934 20 30 DFEDLO C=C(Cl)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292456057 335090042 /nfs/dbraw/zinc/09/00/42/335090042.db2.gz PYAGHOHMRUNVKW-UHFFFAOYSA-N 1 2 313.854 2.709 20 30 DFEDLO C=C(Cl)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292456057 335090043 /nfs/dbraw/zinc/09/00/43/335090043.db2.gz PYAGHOHMRUNVKW-UHFFFAOYSA-N 1 2 313.854 2.709 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000664145470 431670472 /nfs/dbraw/zinc/67/04/72/431670472.db2.gz SZBTTXCLTRNQAK-OWCLPIDISA-N 1 2 316.449 2.985 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000664145470 431670475 /nfs/dbraw/zinc/67/04/75/431670475.db2.gz SZBTTXCLTRNQAK-OWCLPIDISA-N 1 2 316.449 2.985 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660950604 431674771 /nfs/dbraw/zinc/67/47/71/431674771.db2.gz JUNDWZPXOAKONO-HRCADAONSA-N 1 2 312.417 2.553 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2Br)nn1 ZINC000657336476 431684087 /nfs/dbraw/zinc/68/40/87/431684087.db2.gz SKISWRRKGSJMJG-UHFFFAOYSA-N 1 2 321.222 2.907 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)nn1 ZINC000657399220 431730500 /nfs/dbraw/zinc/73/05/00/431730500.db2.gz QUSBUMDGULPNPO-CQSZACIVSA-N 1 2 304.781 2.731 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)nn1 ZINC000657443013 431757403 /nfs/dbraw/zinc/75/74/03/431757403.db2.gz WBILXMMZJOSIFT-HNNXBMFYSA-N 1 2 302.353 2.607 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H](C)COC ZINC000661243727 431792870 /nfs/dbraw/zinc/79/28/70/431792870.db2.gz MHDAJYTYRUTQOO-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H](C)COC ZINC000661243727 431792876 /nfs/dbraw/zinc/79/28/76/431792876.db2.gz MHDAJYTYRUTQOO-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)[C@H](C)COC ZINC000661242689 431793815 /nfs/dbraw/zinc/79/38/15/431793815.db2.gz DOSZTZCYFSAKNX-CQSZACIVSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)[C@H](C)COC ZINC000661242689 431793821 /nfs/dbraw/zinc/79/38/21/431793821.db2.gz DOSZTZCYFSAKNX-CQSZACIVSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CCC1(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCC1 ZINC000664502002 431801357 /nfs/dbraw/zinc/80/13/57/431801357.db2.gz LROVFDURKYCVFX-AWEZNQCLSA-N 1 2 302.422 2.949 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCSCC2)[nH+]cn1 ZINC000664572760 431821774 /nfs/dbraw/zinc/82/17/74/431821774.db2.gz WPTUPJDNQNNYSV-OKILXGFUSA-N 1 2 302.447 2.717 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCSCC2)nc[nH+]1 ZINC000664572760 431821777 /nfs/dbraw/zinc/82/17/77/431821777.db2.gz WPTUPJDNQNNYSV-OKILXGFUSA-N 1 2 302.447 2.717 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000359896884 288399663 /nfs/dbraw/zinc/39/96/63/288399663.db2.gz RBKLGTLZDZJYSC-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000359896884 288399666 /nfs/dbraw/zinc/39/96/66/288399666.db2.gz RBKLGTLZDZJYSC-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO CCN(CC)C(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158972798 295369773 /nfs/dbraw/zinc/36/97/73/295369773.db2.gz RCTFELRTCSHIHM-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1C#N ZINC000538999327 301336098 /nfs/dbraw/zinc/33/60/98/301336098.db2.gz HNOATBVXDAMRRD-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1C#N ZINC000538999327 301336101 /nfs/dbraw/zinc/33/61/01/301336101.db2.gz HNOATBVXDAMRRD-UHFFFAOYSA-N 1 2 321.380 2.904 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000550785736 301652362 /nfs/dbraw/zinc/65/23/62/301652362.db2.gz WDKIKWLXKXZQOY-UHFFFAOYSA-N 1 2 322.393 2.975 20 30 DFEDLO Cc1[nH+]c2cc(CNc3nccc(C#N)n3)ccc2n1C1CC1 ZINC000563423691 302071360 /nfs/dbraw/zinc/07/13/60/302071360.db2.gz IBDPDHWSDCXUQM-UHFFFAOYSA-N 1 2 304.357 2.953 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000564007110 302113950 /nfs/dbraw/zinc/11/39/50/302113950.db2.gz VLNCZMDLHHFIEK-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000564007110 302113952 /nfs/dbraw/zinc/11/39/52/302113952.db2.gz VLNCZMDLHHFIEK-ZDUSSCGKSA-N 1 2 321.380 2.649 20 30 DFEDLO N#Cc1cncnc1N[C@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000571280716 302611765 /nfs/dbraw/zinc/61/17/65/302611765.db2.gz OZVHGIJXDTVQII-OCCSQVGLSA-N 1 2 318.384 2.785 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000121705202 303190585 /nfs/dbraw/zinc/19/05/85/303190585.db2.gz RXOQCHRDBONQEH-MRXNPFEDSA-N 1 2 311.410 2.683 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000121705202 303190588 /nfs/dbraw/zinc/19/05/88/303190588.db2.gz RXOQCHRDBONQEH-MRXNPFEDSA-N 1 2 311.410 2.683 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnnn1-c1ccccc1 ZINC000174358265 315963284 /nfs/dbraw/zinc/96/32/84/315963284.db2.gz SWBFXHAFNTVEIL-UONOGXRCSA-N 1 2 318.384 2.946 20 30 DFEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181319801 316057109 /nfs/dbraw/zinc/05/71/09/316057109.db2.gz GLIXIVZYUZSNQB-GFCCVEGCSA-N 1 2 305.341 2.563 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)c1 ZINC000316879489 316246217 /nfs/dbraw/zinc/24/62/17/316246217.db2.gz GKQLQSFVYDMSFO-UHFFFAOYSA-N 1 2 309.350 2.907 20 30 DFEDLO N#Cc1cc(C(=O)NCCCNc2cccc[nH+]2)ccc1Cl ZINC000544627867 317837246 /nfs/dbraw/zinc/83/72/46/317837246.db2.gz QPDNEJHBVVIUKT-UHFFFAOYSA-N 1 2 314.776 2.839 20 30 DFEDLO Cc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000576340618 318119673 /nfs/dbraw/zinc/11/96/73/318119673.db2.gz JQDLSGKYASPMBZ-AWEZNQCLSA-N 1 2 313.323 2.791 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)nc1 ZINC000578663686 318276856 /nfs/dbraw/zinc/27/68/56/318276856.db2.gz JKMUVSQURNFVAS-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)nc1 ZINC000578663686 318276859 /nfs/dbraw/zinc/27/68/59/318276859.db2.gz JKMUVSQURNFVAS-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000578844363 318288774 /nfs/dbraw/zinc/28/87/74/318288774.db2.gz NBJFPMCHNVDOQV-DLBZAZTESA-N 1 2 320.396 2.511 20 30 DFEDLO COc1c(C)c[nH+]c(CSCc2ncc(C#N)cn2)c1C ZINC000583431016 323853611 /nfs/dbraw/zinc/85/36/11/323853611.db2.gz YNBKEKNLMPITLV-UHFFFAOYSA-N 1 2 300.387 2.802 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000116950091 331467662 /nfs/dbraw/zinc/46/76/62/331467662.db2.gz KIWRCGZFVMXGCP-GFCCVEGCSA-N 1 2 302.353 2.775 20 30 DFEDLO C=CCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367898134 331547451 /nfs/dbraw/zinc/54/74/51/331547451.db2.gz XCGJPTYVPZQPMN-SJORKVTESA-N 1 2 323.481 2.628 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000564585022 331720049 /nfs/dbraw/zinc/72/00/49/331720049.db2.gz MGTNNYLTXPHFOS-QWHCGFSZSA-N 1 2 303.431 2.796 20 30 DFEDLO COc1cc(/C=C\C(=O)Nc2cc[nH+]c(C)c2)ccc1OCC#N ZINC000255204400 331724507 /nfs/dbraw/zinc/72/45/07/331724507.db2.gz RDJUFAIXQVZLIG-XQRVVYSFSA-N 1 2 323.352 2.953 20 30 DFEDLO N#CCOc1cccc(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000089805839 332077960 /nfs/dbraw/zinc/07/79/60/332077960.db2.gz SHTUDFPZDUZSDF-MRXNPFEDSA-N 1 2 324.384 2.608 20 30 DFEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC(=O)C1CC1 ZINC000093090696 332133869 /nfs/dbraw/zinc/13/38/69/332133869.db2.gz XDYYBBHINMTCGH-LBPRGKRZSA-N 1 2 302.374 2.745 20 30 DFEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC(=O)C1CC1 ZINC000093090696 332133870 /nfs/dbraw/zinc/13/38/70/332133870.db2.gz XDYYBBHINMTCGH-LBPRGKRZSA-N 1 2 302.374 2.745 20 30 DFEDLO COCOc1ccc(OC)cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091520 332133906 /nfs/dbraw/zinc/13/39/06/332133906.db2.gz HDEGUAKDOGFWFE-UHFFFAOYSA-N 1 2 304.390 2.804 20 30 DFEDLO COCOc1ccc(OC)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091520 332133907 /nfs/dbraw/zinc/13/39/07/332133907.db2.gz HDEGUAKDOGFWFE-UHFFFAOYSA-N 1 2 304.390 2.804 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427000422 332165140 /nfs/dbraw/zinc/16/51/40/332165140.db2.gz CLTDOIASKNVBLH-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427000422 332165141 /nfs/dbraw/zinc/16/51/41/332165141.db2.gz CLTDOIASKNVBLH-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000292818167 335095182 /nfs/dbraw/zinc/09/51/82/335095182.db2.gz OQOMXYDUCHNGIS-UHFFFAOYSA-N 1 2 316.449 2.511 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000103440119 332238567 /nfs/dbraw/zinc/23/85/67/332238567.db2.gz ZODYPUAVIYNRSO-UHFFFAOYSA-N 1 2 311.389 2.669 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000103467658 332239308 /nfs/dbraw/zinc/23/93/08/332239308.db2.gz 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ZINC000152952386 332336887 /nfs/dbraw/zinc/33/68/87/332336887.db2.gz WJFMFPJECPRLJU-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152952386 332336888 /nfs/dbraw/zinc/33/68/88/332336888.db2.gz WJFMFPJECPRLJU-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000449526733 332359213 /nfs/dbraw/zinc/35/92/13/332359213.db2.gz FIVKELGMJQNQMU-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000449526733 332359214 /nfs/dbraw/zinc/35/92/14/332359214.db2.gz FIVKELGMJQNQMU-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO CCc1noc(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119302496 332369109 /nfs/dbraw/zinc/36/91/09/332369109.db2.gz DUNVGQFFDQSFGK-LJQANCHMSA-N 1 2 324.428 2.928 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000154187810 332429082 /nfs/dbraw/zinc/42/90/82/332429082.db2.gz LUYCMBHOFUCXMI-RDJZCZTQSA-N 1 2 308.385 2.607 20 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N#CCc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343347652 335151550 /nfs/dbraw/zinc/15/15/50/335151550.db2.gz JYQCFGOOMDHVCB-UHFFFAOYSA-N 1 2 317.352 2.645 20 30 DFEDLO CC#CCCCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000185858971 335154450 /nfs/dbraw/zinc/15/44/50/335154450.db2.gz JTFUSDOJPCOQJL-UHFFFAOYSA-N 1 2 314.429 2.959 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442827523 335157471 /nfs/dbraw/zinc/15/74/71/335157471.db2.gz QBBRJNNMCKCCIR-ZWKOTPCHSA-N 1 2 324.465 2.511 20 30 DFEDLO C=C(C)[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)OCC ZINC000343370612 335159873 /nfs/dbraw/zinc/15/98/73/335159873.db2.gz RZWBHVQOQDZXFR-HNNXBMFYSA-N 1 2 314.389 2.636 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000413838752 333877751 /nfs/dbraw/zinc/87/77/51/333877751.db2.gz SSAAIGSSNOSTKQ-INIZCTEOSA-N 1 2 312.417 2.749 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1OC ZINC000414549565 334015495 /nfs/dbraw/zinc/01/54/95/334015495.db2.gz 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/nfs/dbraw/zinc/07/55/56/334075556.db2.gz YDDRBPMZUSGCAQ-MRXNPFEDSA-N 1 2 321.371 2.691 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276307589 334075557 /nfs/dbraw/zinc/07/55/57/334075557.db2.gz YDDRBPMZUSGCAQ-MRXNPFEDSA-N 1 2 321.371 2.691 20 30 DFEDLO N#CCC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1 ZINC000277316397 334087747 /nfs/dbraw/zinc/08/77/47/334087747.db2.gz CVPZVQFCFUGSOG-MRXNPFEDSA-N 1 2 323.400 2.770 20 30 DFEDLO N#CCC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1 ZINC000277316397 334087748 /nfs/dbraw/zinc/08/77/48/334087748.db2.gz CVPZVQFCFUGSOG-MRXNPFEDSA-N 1 2 323.400 2.770 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@](C)(C#N)C(C)C ZINC000279765916 334111645 /nfs/dbraw/zinc/11/16/45/334111645.db2.gz JRTMCDHVHQVQIN-MRXNPFEDSA-N 1 2 320.343 2.677 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCCCCC2CCOCC2)cs1 ZINC000281485073 334126420 /nfs/dbraw/zinc/12/64/20/334126420.db2.gz WXIIUMIJUYBDEL-UHFFFAOYSA-N 1 2 311.451 2.880 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000282077517 334131120 /nfs/dbraw/zinc/13/11/20/334131120.db2.gz XGYBJRRHLAXXHE-NRXISQOPSA-N 1 2 315.421 2.629 20 30 DFEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000282306518 334133510 /nfs/dbraw/zinc/13/35/10/334133510.db2.gz RXRNUEDTEKHUQS-UHFFFAOYSA-N 1 2 307.785 2.524 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282416796 334134597 /nfs/dbraw/zinc/13/45/97/334134597.db2.gz LLNZMYQPDMSZIF-SEEARECTSA-N 1 2 304.365 2.959 20 30 DFEDLO NC(=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCO1 ZINC000284383345 334143250 /nfs/dbraw/zinc/14/32/50/334143250.db2.gz MDEJUFDZSONQQD-AWEZNQCLSA-N 1 2 321.764 2.963 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000286133990 334151269 /nfs/dbraw/zinc/15/12/69/334151269.db2.gz QSRAECAWWWWZCS-BBRMVZONSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000286134002 334151271 /nfs/dbraw/zinc/15/12/71/334151271.db2.gz 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ZINC000293005565 334195220 /nfs/dbraw/zinc/19/52/20/334195220.db2.gz HBRPEQLKHOUXHX-ZBFHGGJFSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005565 334195221 /nfs/dbraw/zinc/19/52/21/334195221.db2.gz HBRPEQLKHOUXHX-ZBFHGGJFSA-N 1 2 317.820 2.676 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)C[C@H](C)C#N)C1=O ZINC000293229537 334196694 /nfs/dbraw/zinc/19/66/94/334196694.db2.gz VXCWWOGSEFKQOQ-XJKCOSOUSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)C[C@H](C)C#N)C1=O ZINC000293229537 334196696 /nfs/dbraw/zinc/19/66/96/334196696.db2.gz VXCWWOGSEFKQOQ-XJKCOSOUSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294753418 334213019 /nfs/dbraw/zinc/21/30/19/334213019.db2.gz IJHLLKWPWFCGHD-CQSZACIVSA-N 1 2 311.385 2.963 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294753418 334213020 /nfs/dbraw/zinc/21/30/20/334213020.db2.gz IJHLLKWPWFCGHD-CQSZACIVSA-N 1 2 311.385 2.963 20 30 DFEDLO CCCCCCCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298028697 334245786 /nfs/dbraw/zinc/24/57/86/334245786.db2.gz BKQQUBNEUUPXNR-UHFFFAOYSA-N 1 2 316.405 2.750 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000299669727 334257154 /nfs/dbraw/zinc/25/71/54/334257154.db2.gz OQHQMGBMWHSCFM-KBPBESRZSA-N 1 2 301.394 2.816 20 30 DFEDLO CC(C)c1nc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000299669727 334257157 /nfs/dbraw/zinc/25/71/57/334257157.db2.gz OQHQMGBMWHSCFM-KBPBESRZSA-N 1 2 301.394 2.816 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000121445499 334354101 /nfs/dbraw/zinc/35/41/01/334354101.db2.gz RSMDZZLGSBJKOK-UHFFFAOYSA-N 1 2 301.159 2.645 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000121445499 334354102 /nfs/dbraw/zinc/35/41/02/334354102.db2.gz RSMDZZLGSBJKOK-UHFFFAOYSA-N 1 2 301.159 2.645 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000341997758 334499640 /nfs/dbraw/zinc/49/96/40/334499640.db2.gz IGJXPUVKPWCLQE-AWEZNQCLSA-N 1 2 316.401 2.761 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000342005478 334500620 /nfs/dbraw/zinc/50/06/20/334500620.db2.gz OHJHSAOUPMMNME-UHFFFAOYSA-N 1 2 310.300 2.599 20 30 DFEDLO CCCCc1noc([C@H](C)[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000342005673 334500661 /nfs/dbraw/zinc/50/06/61/334500661.db2.gz ZKRSYGMHWUCPQQ-ZDUSSCGKSA-N 1 2 306.410 2.725 20 30 DFEDLO C=CCCOCCCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000342951959 334592352 /nfs/dbraw/zinc/59/23/52/334592352.db2.gz NBTJJNHENVUONO-MRXNPFEDSA-N 1 2 319.449 2.948 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCc2occc21 ZINC000328619861 334745011 /nfs/dbraw/zinc/74/50/11/334745011.db2.gz WJDJEXNZKMNDMD-JSGCOSHPSA-N 1 2 314.389 2.935 20 30 DFEDLO CCc1noc(C)c1[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000328809874 334754867 /nfs/dbraw/zinc/75/48/67/334754867.db2.gz DYIRXIMDVZNHSD-UHFFFAOYSA-N 1 2 303.366 2.625 20 30 DFEDLO CC[C@H](CSC)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330646813 334795129 /nfs/dbraw/zinc/79/51/29/334795129.db2.gz MPYPPQREGKAMFT-OCCSQVGLSA-N 1 2 309.435 2.590 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000344241425 335231570 /nfs/dbraw/zinc/23/15/70/335231570.db2.gz OAEQYBVZMJCVSV-LBPRGKRZSA-N 1 2 321.371 2.646 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000344241425 335231571 /nfs/dbraw/zinc/23/15/71/335231571.db2.gz OAEQYBVZMJCVSV-LBPRGKRZSA-N 1 2 321.371 2.646 20 30 DFEDLO CO[C@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000344671771 335270866 /nfs/dbraw/zinc/27/08/66/335270866.db2.gz GBLVPXZVQZLAJJ-UONOGXRCSA-N 1 2 305.426 2.595 20 30 DFEDLO CO[C@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000344671771 335270867 /nfs/dbraw/zinc/27/08/67/335270867.db2.gz GBLVPXZVQZLAJJ-UONOGXRCSA-N 1 2 305.426 2.595 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C2 ZINC000366886974 335295860 /nfs/dbraw/zinc/29/58/60/335295860.db2.gz PSGYXAMHEZRJLM-DLBZAZTESA-N 1 2 322.412 2.710 20 30 DFEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000345819691 335353244 /nfs/dbraw/zinc/35/32/44/335353244.db2.gz SISYVJUGEXJXMI-QWHCGFSZSA-N 1 2 305.809 2.705 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000347707619 335523239 /nfs/dbraw/zinc/52/32/39/335523239.db2.gz QRMYNQVELYWFOH-YPMHNXCESA-N 1 2 321.808 2.877 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000348712474 335604351 /nfs/dbraw/zinc/60/43/51/335604351.db2.gz IFPLEAYGGPIDBM-UHFFFAOYSA-N 1 2 313.170 2.982 20 30 DFEDLO CC(C)(C)n1ncnc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000367092708 335670672 /nfs/dbraw/zinc/67/06/72/335670672.db2.gz PUNBFFXGXWYMFW-UHFFFAOYSA-N 1 2 309.417 2.747 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000350461822 335754844 /nfs/dbraw/zinc/75/48/44/335754844.db2.gz NXLQANIUMXHTPF-JOYOIKCWSA-N 1 2 311.288 2.978 20 30 DFEDLO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCn2cc[nH+]c2C1 ZINC000350751798 335779714 /nfs/dbraw/zinc/77/97/14/335779714.db2.gz HUTHZSITOPPEDR-UHFFFAOYSA-N 1 2 324.388 2.558 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000329058018 335935901 /nfs/dbraw/zinc/93/59/01/335935901.db2.gz TWYSMLRMTOHNKD-KLHDSHLOSA-N 1 2 317.433 2.662 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1CCOC1)C1CCOCC1 ZINC000329056472 335936049 /nfs/dbraw/zinc/93/60/49/335936049.db2.gz MIUUQQQZIZDABO-XJKSGUPXSA-N 1 2 321.421 2.661 20 30 DFEDLO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329333484 335965436 /nfs/dbraw/zinc/96/54/36/335965436.db2.gz KGIQQCUKUVONMO-NSHDSACASA-N 1 2 311.341 2.699 20 30 DFEDLO O=C(N[C@H]1CCOC2(CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329336713 335965691 /nfs/dbraw/zinc/96/56/91/335965691.db2.gz PKOYXUUHADRKQI-HNNXBMFYSA-N 1 2 322.449 2.690 20 30 DFEDLO C[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329516727 335987854 /nfs/dbraw/zinc/98/78/54/335987854.db2.gz YXLBRZIKBFBDQI-HIFRSBDPSA-N 1 2 320.437 2.676 20 30 DFEDLO C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOC1 ZINC000329555935 335993445 /nfs/dbraw/zinc/99/34/45/335993445.db2.gz DTVCSNKOIXNMRA-QGZVFWFLSA-N 1 2 304.390 2.533 20 30 DFEDLO Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCc3[nH+]c[nH]c3C1)O2 ZINC000329602914 336003344 /nfs/dbraw/zinc/00/33/44/336003344.db2.gz LCOZSVINIBJJCN-CXAGYDPISA-N 1 2 311.385 2.926 20 30 DFEDLO Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCc3[nH]c[nH+]c3C1)O2 ZINC000329602914 336003345 /nfs/dbraw/zinc/00/33/45/336003345.db2.gz LCOZSVINIBJJCN-CXAGYDPISA-N 1 2 311.385 2.926 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000351267432 336024796 /nfs/dbraw/zinc/02/47/96/336024796.db2.gz HADXGYTZPOATAR-INIZCTEOSA-N 1 2 314.433 2.548 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1(C)C ZINC000329648295 336026487 /nfs/dbraw/zinc/02/64/87/336026487.db2.gz FCNCWDMFTZUMJW-GRYCIOLGSA-N 1 2 303.406 2.865 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1(C)C ZINC000329648295 336026488 /nfs/dbraw/zinc/02/64/88/336026488.db2.gz FCNCWDMFTZUMJW-GRYCIOLGSA-N 1 2 303.406 2.865 20 30 DFEDLO O=C(NC1CC(C(F)(F)F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329714716 336066997 /nfs/dbraw/zinc/06/69/97/336066997.db2.gz TZCLZTOWORWSCE-UHFFFAOYSA-N 1 2 316.327 2.844 20 30 DFEDLO O=C(NC1CC(C(F)(F)F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329714716 336066998 /nfs/dbraw/zinc/06/69/98/336066998.db2.gz TZCLZTOWORWSCE-UHFFFAOYSA-N 1 2 316.327 2.844 20 30 DFEDLO [O-]C(=[NH+]C1CC(C(F)(F)F)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329714214 336067096 /nfs/dbraw/zinc/06/70/96/336067096.db2.gz SQDURFOEBDRHOT-MCIGGMRASA-N 1 2 316.327 2.602 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1C ZINC000329769766 336079792 /nfs/dbraw/zinc/07/97/92/336079792.db2.gz ICISYTPIXVQMNU-MGPQQGTHSA-N 1 2 318.465 2.997 20 30 DFEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329795262 336082572 /nfs/dbraw/zinc/08/25/72/336082572.db2.gz CSDDITKPJQUAES-ARFHVFGLSA-N 1 2 323.481 2.570 20 30 DFEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329795262 336082573 /nfs/dbraw/zinc/08/25/73/336082573.db2.gz CSDDITKPJQUAES-ARFHVFGLSA-N 1 2 323.481 2.570 20 30 DFEDLO Cc1noc(C2CC2)c1[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329805230 336084167 /nfs/dbraw/zinc/08/41/67/336084167.db2.gz MTTCDNOOZUKGEH-UHFFFAOYSA-N 1 2 315.377 2.940 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329850292 336089282 /nfs/dbraw/zinc/08/92/82/336089282.db2.gz ZQWDFJHYQUPVLQ-HZPDHXFCSA-N 1 2 323.481 2.714 20 30 DFEDLO C[C@]1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCS1 ZINC000329878404 336091702 /nfs/dbraw/zinc/09/17/02/336091702.db2.gz KRWOEBVFGDOGHB-IUODEOHRSA-N 1 2 308.451 2.789 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329897777 336093303 /nfs/dbraw/zinc/09/33/03/336093303.db2.gz DETPNJLBXPPMTF-RVKKMQEKSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329897777 336093304 /nfs/dbraw/zinc/09/33/04/336093304.db2.gz DETPNJLBXPPMTF-RVKKMQEKSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1[nH+]c[nH]c1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000329935741 336097314 /nfs/dbraw/zinc/09/73/14/336097314.db2.gz KPXMPKRTGMTYOG-UHFFFAOYSA-N 1 2 303.366 2.848 20 30 DFEDLO CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329990361 336103364 /nfs/dbraw/zinc/10/33/64/336103364.db2.gz IWFQETRDOMJEGU-KGLIPLIRSA-N 1 2 304.438 2.870 20 30 DFEDLO CC1CC(NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330017822 336106342 /nfs/dbraw/zinc/10/63/42/336106342.db2.gz RUJDWOCEBYZTAE-CPCZMJQVSA-N 1 2 304.438 2.798 20 30 DFEDLO CC1CC([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330017822 336106343 /nfs/dbraw/zinc/10/63/43/336106343.db2.gz RUJDWOCEBYZTAE-CPCZMJQVSA-N 1 2 304.438 2.798 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330048585 336109133 /nfs/dbraw/zinc/10/91/33/336109133.db2.gz KELRKUXYYQSAHA-AWEZNQCLSA-N 1 2 320.437 2.648 20 30 DFEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330074241 336111365 /nfs/dbraw/zinc/11/13/65/336111365.db2.gz LAHZHJKGPSNOOM-BPUTZDHNSA-N 1 2 305.422 2.996 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCC1(C)CC1)C2 ZINC000330117582 336114910 /nfs/dbraw/zinc/11/49/10/336114910.db2.gz XENHPDZACKPPOK-LBPRGKRZSA-N 1 2 304.438 2.799 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]CC1(C)CC1)C2 ZINC000330117582 336114911 /nfs/dbraw/zinc/11/49/11/336114911.db2.gz XENHPDZACKPPOK-LBPRGKRZSA-N 1 2 304.438 2.799 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330123362 336115631 /nfs/dbraw/zinc/11/56/31/336115631.db2.gz KWAWGLPEXZRYMX-LHHMISFZSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCCOC2)O1 ZINC000330123362 336115633 /nfs/dbraw/zinc/11/56/33/336115633.db2.gz KWAWGLPEXZRYMX-LHHMISFZSA-N 1 2 324.465 2.792 20 30 DFEDLO CC(C)C1CCC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330168481 336120363 /nfs/dbraw/zinc/12/03/63/336120363.db2.gz AXFJYONRALWLLT-NRXISQOPSA-N 1 2 304.438 2.916 20 30 DFEDLO CC(C)C1CCC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330168481 336120364 /nfs/dbraw/zinc/12/03/64/336120364.db2.gz AXFJYONRALWLLT-NRXISQOPSA-N 1 2 304.438 2.916 20 30 DFEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330184929 336121922 /nfs/dbraw/zinc/12/19/22/336121922.db2.gz IUVNTBKDFJOXLP-RDBSUJKOSA-N 1 2 304.438 2.916 20 30 DFEDLO C[C@@H]1CC(C)(C)CC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330184929 336121923 /nfs/dbraw/zinc/12/19/23/336121923.db2.gz IUVNTBKDFJOXLP-RDBSUJKOSA-N 1 2 304.438 2.916 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCc2ccccc21 ZINC000330187149 336122102 /nfs/dbraw/zinc/12/21/02/336122102.db2.gz KECQDAGDRSNWHG-GDBMZVCRSA-N 1 2 310.401 2.779 20 30 DFEDLO [O-]C(N[C@@H]1CCCc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330187149 336122103 /nfs/dbraw/zinc/12/21/03/336122103.db2.gz KECQDAGDRSNWHG-GDBMZVCRSA-N 1 2 310.401 2.779 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330233453 336127767 /nfs/dbraw/zinc/12/77/67/336127767.db2.gz SCDCRVDQKDAUSZ-ZIAGYGMSSA-N 1 2 318.421 2.952 20 30 DFEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330241828 336128960 /nfs/dbraw/zinc/12/89/60/336128960.db2.gz WGUNELNVRLCPDE-ZIAGYGMSSA-N 1 2 318.421 2.605 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000330267358 336131589 /nfs/dbraw/zinc/13/15/89/336131589.db2.gz ALJXVJHLUUJJGN-OKILXGFUSA-N 1 2 302.422 2.755 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331539687 336139766 /nfs/dbraw/zinc/13/97/66/336139766.db2.gz YHMOIHQQBVCZTG-KFWWJZLASA-N 1 2 318.421 2.628 20 30 DFEDLO CC(=O)N[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000330305991 336146103 /nfs/dbraw/zinc/14/61/03/336146103.db2.gz LCJGQEDGSKFOHY-HIFRSBDPSA-N 1 2 304.394 2.690 20 30 DFEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330307033 336146282 /nfs/dbraw/zinc/14/62/82/336146282.db2.gz LRHCKNZQUOVUEI-CYBMUJFWSA-N 1 2 305.426 2.507 20 30 DFEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330307033 336146283 /nfs/dbraw/zinc/14/62/83/336146283.db2.gz LRHCKNZQUOVUEI-CYBMUJFWSA-N 1 2 305.426 2.507 20 30 DFEDLO C=CC[C@@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000333309113 336201751 /nfs/dbraw/zinc/20/17/51/336201751.db2.gz NDWZSVWSVDYWHH-CABCVRRESA-N 1 2 316.449 2.974 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000333419941 336203309 /nfs/dbraw/zinc/20/33/09/336203309.db2.gz LRVWEBJAJGXEQQ-WQVCFCJDSA-N 1 2 315.417 2.543 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000333549651 336205396 /nfs/dbraw/zinc/20/53/96/336205396.db2.gz FKBSFOZGEOMZQI-TUKIKUTGSA-N 1 2 303.793 2.727 20 30 DFEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000352450005 336219771 /nfs/dbraw/zinc/21/97/71/336219771.db2.gz PXOXBJCOOGKAGF-OAHLLOKOSA-N 1 2 319.355 2.649 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1C ZINC000352450533 336219799 /nfs/dbraw/zinc/21/97/99/336219799.db2.gz RHSAYZZXMZYVBO-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482040 336221365 /nfs/dbraw/zinc/22/13/65/336221365.db2.gz GQESIPJFUGZAKN-HNNXBMFYSA-N 1 2 317.408 2.751 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000352491183 336221774 /nfs/dbraw/zinc/22/17/74/336221774.db2.gz OHRUAAYSHUGRJY-UHFFFAOYSA-N 1 2 315.392 2.505 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000352492498 336221841 /nfs/dbraw/zinc/22/18/41/336221841.db2.gz YTIKMNKMNMMUBE-QGZVFWFLSA-N 1 2 315.392 2.582 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc([C@@H](C)OCC)no1 ZINC000352700582 336231304 /nfs/dbraw/zinc/23/13/04/336231304.db2.gz SKYJSKJALBBMDN-CYBMUJFWSA-N 1 2 305.378 2.991 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc([C@@H](C)OCC)no1 ZINC000352700582 336231305 /nfs/dbraw/zinc/23/13/05/336231305.db2.gz SKYJSKJALBBMDN-CYBMUJFWSA-N 1 2 305.378 2.991 20 30 DFEDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000352709400 336231683 /nfs/dbraw/zinc/23/16/83/336231683.db2.gz LCPFDGWQZYTEGI-ZDUSSCGKSA-N 1 2 314.389 2.911 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC(C)C ZINC000352803668 336239997 /nfs/dbraw/zinc/23/99/97/336239997.db2.gz ZAKFHTSHSUCOJU-OAHLLOKOSA-N 1 2 322.449 2.701 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC(C)C ZINC000352803668 336239998 /nfs/dbraw/zinc/23/99/98/336239998.db2.gz ZAKFHTSHSUCOJU-OAHLLOKOSA-N 1 2 322.449 2.701 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000042925589 336243321 /nfs/dbraw/zinc/24/33/21/336243321.db2.gz CUSTYRQHQSPPPL-CYBMUJFWSA-N 1 2 307.825 2.914 20 30 DFEDLO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190139669 336259708 /nfs/dbraw/zinc/25/97/08/336259708.db2.gz ZSVPZPPSUBKMMX-ZDUSSCGKSA-N 1 2 314.307 2.634 20 30 DFEDLO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190139669 336259709 /nfs/dbraw/zinc/25/97/09/336259709.db2.gz ZSVPZPPSUBKMMX-ZDUSSCGKSA-N 1 2 314.307 2.634 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)C(F)(F)F ZINC000352916373 336376848 /nfs/dbraw/zinc/37/68/48/336376848.db2.gz RORXBCYYIRKFKO-ZDUSSCGKSA-N 1 2 305.344 2.765 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)C(F)(F)F ZINC000352916373 336376849 /nfs/dbraw/zinc/37/68/49/336376849.db2.gz RORXBCYYIRKFKO-ZDUSSCGKSA-N 1 2 305.344 2.765 20 30 DFEDLO Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000355622782 336516753 /nfs/dbraw/zinc/51/67/53/336516753.db2.gz MPUSUYHKZIJBOX-QGZVFWFLSA-N 1 2 317.389 2.899 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC(C)(C)C#N ZINC000358613150 336636829 /nfs/dbraw/zinc/63/68/29/336636829.db2.gz BIAQOYNIZJGHGA-ZDUSSCGKSA-N 1 2 303.410 2.689 20 30 DFEDLO C=CCN(CCC#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000359442296 336673282 /nfs/dbraw/zinc/67/32/82/336673282.db2.gz SXUNPIFPPRCNIB-UHFFFAOYSA-N 1 2 318.327 2.551 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362148591 336785756 /nfs/dbraw/zinc/78/57/56/336785756.db2.gz ATCJTXDEWVEYGP-ZDUSSCGKSA-N 1 2 320.437 2.619 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000117051930 336851475 /nfs/dbraw/zinc/85/14/75/336851475.db2.gz MJPCHYRKCMQLQZ-BXUZGUMPSA-N 1 2 311.376 2.831 20 30 DFEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531730 337013051 /nfs/dbraw/zinc/01/30/51/337013051.db2.gz MDVIWRVQKAOIAM-IRXDYDNUSA-N 1 2 317.816 2.762 20 30 DFEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531730 337013052 /nfs/dbraw/zinc/01/30/52/337013052.db2.gz MDVIWRVQKAOIAM-IRXDYDNUSA-N 1 2 317.816 2.762 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375634913 337015291 /nfs/dbraw/zinc/01/52/91/337015291.db2.gz MSHAQHYMKTYWMY-CABCVRRESA-N 1 2 302.422 2.704 20 30 DFEDLO C=C(C)[C@H](CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)OCC ZINC000375956837 337024348 /nfs/dbraw/zinc/02/43/48/337024348.db2.gz ZFOYMWVKCOLYHA-HNNXBMFYSA-N 1 2 305.422 2.549 20 30 DFEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000376202825 337029462 /nfs/dbraw/zinc/02/94/62/337029462.db2.gz FZUWQJVSTXYRDY-MRXNPFEDSA-N 1 2 323.396 2.511 20 30 DFEDLO C=C(CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000377035987 337045765 /nfs/dbraw/zinc/04/57/65/337045765.db2.gz WBYRGDGXNGYPFP-QGZVFWFLSA-N 1 2 310.401 2.943 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377708281 337059117 /nfs/dbraw/zinc/05/91/17/337059117.db2.gz WZXPDROKBYRGLN-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377708281 337059118 /nfs/dbraw/zinc/05/91/18/337059118.db2.gz WZXPDROKBYRGLN-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378060674 337065776 /nfs/dbraw/zinc/06/57/76/337065776.db2.gz RQXJUOFUBXQLHM-INIZCTEOSA-N 1 2 324.428 2.707 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378060674 337065777 /nfs/dbraw/zinc/06/57/77/337065777.db2.gz RQXJUOFUBXQLHM-INIZCTEOSA-N 1 2 324.428 2.707 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)C1CC1 ZINC000378398908 337071717 /nfs/dbraw/zinc/07/17/17/337071717.db2.gz QUGNMEKGUYRTST-UHFFFAOYSA-N 1 2 315.373 2.904 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)C1CC1 ZINC000378398908 337071718 /nfs/dbraw/zinc/07/17/18/337071718.db2.gz QUGNMEKGUYRTST-UHFFFAOYSA-N 1 2 315.373 2.904 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171613593 337088479 /nfs/dbraw/zinc/08/84/79/337088479.db2.gz HOQILUPOUHSLMB-CQSZACIVSA-N 1 2 324.428 2.534 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171613593 337088480 /nfs/dbraw/zinc/08/84/80/337088480.db2.gz HOQILUPOUHSLMB-CQSZACIVSA-N 1 2 324.428 2.534 20 30 DFEDLO C#CCCCCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000179902695 337172401 /nfs/dbraw/zinc/17/24/01/337172401.db2.gz MOJYWZCYWLYKEM-UHFFFAOYSA-N 1 2 314.429 2.545 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000180987411 337179066 /nfs/dbraw/zinc/17/90/66/337179066.db2.gz AAFAGPVJKRQREB-GJZGRUSLSA-N 1 2 302.422 2.704 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)CCC2 ZINC000582829312 337206505 /nfs/dbraw/zinc/20/65/05/337206505.db2.gz FATCAVVYZWYJTB-OAHLLOKOSA-N 1 2 323.400 2.957 20 30 DFEDLO CCCc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000186746876 337259184 /nfs/dbraw/zinc/25/91/84/337259184.db2.gz KHSMMGPJKUYJCK-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO CCCc1cccc(C[N@H+](CCC#N)CCN2CCOCC2)c1 ZINC000186746876 337259185 /nfs/dbraw/zinc/25/91/85/337259185.db2.gz KHSMMGPJKUYJCK-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO CCCc1cccc(C[N@@H+](CCC#N)CCN2CCOCC2)c1 ZINC000186746876 337259186 /nfs/dbraw/zinc/25/91/86/337259186.db2.gz KHSMMGPJKUYJCK-UHFFFAOYSA-N 1 2 315.461 2.687 20 30 DFEDLO Cc1cc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n[nH]1 ZINC000187215886 337263884 /nfs/dbraw/zinc/26/38/84/337263884.db2.gz RLTRFYQREFYXQT-UHFFFAOYSA-N 1 2 314.820 2.545 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000191099171 337293926 /nfs/dbraw/zinc/29/39/26/337293926.db2.gz XBTZUWKFKDLGKI-UHFFFAOYSA-N 1 2 309.316 2.649 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000191099171 337293927 /nfs/dbraw/zinc/29/39/27/337293927.db2.gz XBTZUWKFKDLGKI-UHFFFAOYSA-N 1 2 309.316 2.649 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191146539 337294601 /nfs/dbraw/zinc/29/46/01/337294601.db2.gz URGFIWNDDFRTIK-CYBMUJFWSA-N 1 2 317.389 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191146539 337294602 /nfs/dbraw/zinc/29/46/02/337294602.db2.gz URGFIWNDDFRTIK-CYBMUJFWSA-N 1 2 317.389 2.941 20 30 DFEDLO C=CCC1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000584512683 337353720 /nfs/dbraw/zinc/35/37/20/337353720.db2.gz UUNIFHSPHGRKFO-CYBMUJFWSA-N 1 2 302.422 2.703 20 30 DFEDLO C=CCC1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000584512683 337353721 /nfs/dbraw/zinc/35/37/21/337353721.db2.gz UUNIFHSPHGRKFO-CYBMUJFWSA-N 1 2 302.422 2.703 20 30 DFEDLO C=C(C)CN(CC)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943686 337427675 /nfs/dbraw/zinc/42/76/75/337427675.db2.gz GANCLZSFENNPGS-UHFFFAOYSA-N 1 2 302.422 2.658 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C#N)CC1 ZINC000057876807 337458261 /nfs/dbraw/zinc/45/82/61/337458261.db2.gz VZZOCJINOBOGSS-LSDHHAIUSA-N 1 2 311.429 2.978 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194804320 337463890 /nfs/dbraw/zinc/46/38/90/337463890.db2.gz BDUBGSFFRQVIHP-OAHLLOKOSA-N 1 2 313.467 2.648 20 30 DFEDLO C=CCOCCSC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000419513851 337486466 /nfs/dbraw/zinc/48/64/66/337486466.db2.gz GGHXYNZCTJDZRS-OAHLLOKOSA-N 1 2 320.458 2.950 20 30 DFEDLO CN(C(=O)NCC1(C#N)CCC1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000419648464 337490872 /nfs/dbraw/zinc/49/08/72/337490872.db2.gz SHUSYYAOIXUUHO-HNNXBMFYSA-N 1 2 323.400 2.834 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)nn1 ZINC000424301035 337818051 /nfs/dbraw/zinc/81/80/51/337818051.db2.gz ZEZSKCGVBLDLFM-LBPRGKRZSA-N 1 2 308.307 2.659 20 30 DFEDLO CCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000428404622 338050311 /nfs/dbraw/zinc/05/03/11/338050311.db2.gz VUIVWZAMEASHOH-KRWDZBQOSA-N 1 2 324.428 2.928 20 30 DFEDLO C=C(C)COCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000430855870 338117052 /nfs/dbraw/zinc/11/70/52/338117052.db2.gz WSNGHAHVYDKVEX-OAHLLOKOSA-N 1 2 320.437 2.732 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433225735 338186696 /nfs/dbraw/zinc/18/66/96/338186696.db2.gz JTSFWNLJCBQPMS-INIZCTEOSA-N 1 2 322.412 2.536 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290122 338189635 /nfs/dbraw/zinc/18/96/35/338189635.db2.gz RWODPAASHDJJED-STQMWFEESA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433290122 338189636 /nfs/dbraw/zinc/18/96/36/338189636.db2.gz RWODPAASHDJJED-STQMWFEESA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000433297609 338190170 /nfs/dbraw/zinc/19/01/70/338190170.db2.gz LUQOEMWNRZCSEP-LBPRGKRZSA-N 1 2 307.825 2.826 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000433297609 338190171 /nfs/dbraw/zinc/19/01/71/338190171.db2.gz LUQOEMWNRZCSEP-LBPRGKRZSA-N 1 2 307.825 2.826 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433299179 338190240 /nfs/dbraw/zinc/19/02/40/338190240.db2.gz BFMDNHKOFQKOEN-AWEZNQCLSA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433299179 338190241 /nfs/dbraw/zinc/19/02/41/338190241.db2.gz BFMDNHKOFQKOEN-AWEZNQCLSA-N 1 2 301.434 2.908 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433306475 338190895 /nfs/dbraw/zinc/19/08/95/338190895.db2.gz RGSINXQXTZFPPU-CYBMUJFWSA-N 1 2 305.397 2.827 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433306475 338190896 /nfs/dbraw/zinc/19/08/96/338190896.db2.gz RGSINXQXTZFPPU-CYBMUJFWSA-N 1 2 305.397 2.827 20 30 DFEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N)cc1C ZINC000433321205 338192100 /nfs/dbraw/zinc/19/21/00/338192100.db2.gz UQJPLVKTQJLCBT-HNNXBMFYSA-N 1 2 301.434 2.962 20 30 DFEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000433321205 338192101 /nfs/dbraw/zinc/19/21/01/338192101.db2.gz UQJPLVKTQJLCBT-HNNXBMFYSA-N 1 2 301.434 2.962 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000435181578 338233954 /nfs/dbraw/zinc/23/39/54/338233954.db2.gz GJTXGVKGHCTOKU-TZMCWYRMSA-N 1 2 301.415 2.725 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000435181578 338233955 /nfs/dbraw/zinc/23/39/55/338233955.db2.gz GJTXGVKGHCTOKU-TZMCWYRMSA-N 1 2 301.415 2.725 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000435181577 338234019 /nfs/dbraw/zinc/23/40/19/338234019.db2.gz GJTXGVKGHCTOKU-OCCSQVGLSA-N 1 2 301.415 2.725 20 30 DFEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000435181577 338234020 /nfs/dbraw/zinc/23/40/20/338234020.db2.gz GJTXGVKGHCTOKU-OCCSQVGLSA-N 1 2 301.415 2.725 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000435537733 338241764 /nfs/dbraw/zinc/24/17/64/338241764.db2.gz YBHYUEKTCXGEMX-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000435537733 338241765 /nfs/dbraw/zinc/24/17/65/338241765.db2.gz YBHYUEKTCXGEMX-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440471070 338387997 /nfs/dbraw/zinc/38/79/97/338387997.db2.gz OZRUMPUGVMHFDT-OAHLLOKOSA-N 1 2 316.449 2.621 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440471070 338387998 /nfs/dbraw/zinc/38/79/98/338387998.db2.gz OZRUMPUGVMHFDT-OAHLLOKOSA-N 1 2 316.449 2.621 20 30 DFEDLO C=CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000447976370 338573497 /nfs/dbraw/zinc/57/34/97/338573497.db2.gz JUAUINBNSUQGQI-UHFFFAOYSA-N 1 2 302.353 2.777 20 30 DFEDLO C=CCC[C@@H](NCc1c[nH+]c2cc(C)ccn12)C(=O)OCC ZINC000449652078 338644368 /nfs/dbraw/zinc/64/43/68/338644368.db2.gz AKYCDECWPFTHOB-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CCCCC1 ZINC000451687549 338742010 /nfs/dbraw/zinc/74/20/10/338742010.db2.gz CQAKLJXUSRRXSU-IRXDYDNUSA-N 1 2 320.477 2.835 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455319168 338890335 /nfs/dbraw/zinc/89/03/35/338890335.db2.gz ZMQUSHFDVPDGKF-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccnc1 ZINC000195500443 338903383 /nfs/dbraw/zinc/90/33/83/338903383.db2.gz MFVXWFKHHVMBRP-UHFFFAOYSA-N 1 2 324.413 2.796 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000458989655 339010245 /nfs/dbraw/zinc/01/02/45/339010245.db2.gz PXMASHMVIRCSOH-CQSZACIVSA-N 1 2 304.438 2.596 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459457161 339030063 /nfs/dbraw/zinc/03/00/63/339030063.db2.gz CTHDYXPZBYLYNQ-GMXVVIOVSA-N 1 2 321.808 2.957 20 30 DFEDLO CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1nc2ccccc2s1 ZINC000459462445 339030567 /nfs/dbraw/zinc/03/05/67/339030567.db2.gz JUVUTJNQWSGJFP-VXGBXAGGSA-N 1 2 314.414 2.541 20 30 DFEDLO C=CCOc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000459691934 339043272 /nfs/dbraw/zinc/04/32/72/339043272.db2.gz DRWQZUTXYAULKM-UHFFFAOYSA-N 1 2 300.406 2.957 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491141419 339850575 /nfs/dbraw/zinc/85/05/75/339850575.db2.gz AHTQUYCWCLZEOF-UHFFFAOYSA-N 1 2 318.380 2.679 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491526197 339865481 /nfs/dbraw/zinc/86/54/81/339865481.db2.gz YABONNRNJXLIME-QGZVFWFLSA-N 1 2 310.401 2.533 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491710771 339875591 /nfs/dbraw/zinc/87/55/91/339875591.db2.gz YYVSHZJVHSEGAX-AEFFLSMTSA-N 1 2 324.428 2.904 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494415237 339948569 /nfs/dbraw/zinc/94/85/69/339948569.db2.gz HKCIZWZILMBHIW-DPZZJQGRSA-N 1 2 318.424 2.977 20 30 DFEDLO C=CCCc1ccccc1NC1CC[NH+](CC(=O)OC)CC1 ZINC000502318523 340099595 /nfs/dbraw/zinc/09/95/95/340099595.db2.gz HQUUBFILSDNWEO-UHFFFAOYSA-N 1 2 302.418 2.855 20 30 DFEDLO C#CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)C1CCCC1 ZINC000176399485 340427253 /nfs/dbraw/zinc/42/72/53/340427253.db2.gz MXNZTBYSKBSERQ-UHFFFAOYSA-N 1 2 310.401 2.730 20 30 DFEDLO Clc1ccc(N2CC[NH+](CC#Cc3ccccc3)CC2)nc1 ZINC000191965448 340560587 /nfs/dbraw/zinc/56/05/87/340560587.db2.gz HLAZNJKLVWDKLW-UHFFFAOYSA-N 1 2 311.816 2.909 20 30 DFEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1-n1cncn1 ZINC000545221008 341115169 /nfs/dbraw/zinc/11/51/69/341115169.db2.gz GFBVRMMYFWUOKC-UHFFFAOYSA-N 1 2 304.357 2.649 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccc(Br)cn2)c1 ZINC000545926921 341146573 /nfs/dbraw/zinc/14/65/73/341146573.db2.gz MPMWDIXFIAYMFT-UHFFFAOYSA-N 1 2 303.163 2.917 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(Cl)s1)CC1CC1 ZINC000081044952 341278821 /nfs/dbraw/zinc/27/88/21/341278821.db2.gz JUGUEUOVUWAMHZ-UHFFFAOYSA-N 1 2 311.838 2.643 20 30 DFEDLO N#CCC[N@H+](CC(=O)NCc1ccc(Cl)s1)CC1CC1 ZINC000081044952 341278822 /nfs/dbraw/zinc/27/88/22/341278822.db2.gz JUGUEUOVUWAMHZ-UHFFFAOYSA-N 1 2 311.838 2.643 20 30 DFEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000549152186 341287337 /nfs/dbraw/zinc/28/73/37/341287337.db2.gz MNFFZBAXEHNLMA-GDBMZVCRSA-N 1 2 312.417 2.748 20 30 DFEDLO C[C@](C#N)(NC(=O)Cc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000550748940 341322543 /nfs/dbraw/zinc/32/25/43/341322543.db2.gz YXOQJXFJEDIVOI-GOSISDBHSA-N 1 2 310.401 2.856 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C1CC1)C1(C#N)CCC1 ZINC000551315121 341338388 /nfs/dbraw/zinc/33/83/88/341338388.db2.gz YHXLVLORZSRVPO-UHFFFAOYSA-N 1 2 308.385 2.782 20 30 DFEDLO CCOc1cc2c(cc1C[NH2+]C[C@@H](C#N)CCC#N)O[C@@H](C)C2 ZINC000551660533 341348245 /nfs/dbraw/zinc/34/82/45/341348245.db2.gz HVFASVNCVJJSJC-UONOGXRCSA-N 1 2 313.401 2.942 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249277767 341395782 /nfs/dbraw/zinc/39/57/82/341395782.db2.gz NMMNYSLJRHYFOY-LSDHHAIUSA-N 1 2 309.360 2.537 20 30 DFEDLO C=CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249277767 341395783 /nfs/dbraw/zinc/39/57/83/341395783.db2.gz NMMNYSLJRHYFOY-LSDHHAIUSA-N 1 2 309.360 2.537 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)C(F)(F)F ZINC000565374221 341525521 /nfs/dbraw/zinc/52/55/21/341525521.db2.gz UFWLMDFTWIGXLK-ZJUUUORDSA-N 1 2 316.327 2.511 20 30 DFEDLO C=CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C(=O)OC)c2)CC1 ZINC000156737614 341625788 /nfs/dbraw/zinc/62/57/88/341625788.db2.gz LUNPMNBYYZTZPE-MRXNPFEDSA-N 1 2 317.385 2.585 20 30 DFEDLO C=CCOc1ccccc1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171888611 341787534 /nfs/dbraw/zinc/78/75/34/341787534.db2.gz RYKKITCLQGHESY-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO C=C(C)CCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427661849 500572402 /nfs/dbraw/zinc/57/24/02/500572402.db2.gz FMXQDPSFQVUJSD-OAHLLOKOSA-N 1 2 319.474 2.818 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000597605275 501031923 /nfs/dbraw/zinc/03/19/23/501031923.db2.gz NGRWLLTYWGXNDP-CYBMUJFWSA-N 1 2 321.384 2.530 20 30 DFEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc(C#N)o2)C(C)(C)C1 ZINC000355314367 534448085 /nfs/dbraw/zinc/44/80/85/534448085.db2.gz VZGJZPJSGVZYNZ-UHFFFAOYSA-N 1 2 303.406 2.620 20 30 DFEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc(C#N)o2)C(C)(C)C1 ZINC000355314367 534448091 /nfs/dbraw/zinc/44/80/91/534448091.db2.gz VZGJZPJSGVZYNZ-UHFFFAOYSA-N 1 2 303.406 2.620 20 30 DFEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000021585831 526256628 /nfs/dbraw/zinc/25/66/28/526256628.db2.gz XBKYOLQCOVKIPI-FZMZJTMJSA-N 1 2 323.824 2.672 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1F ZINC000365940507 526566914 /nfs/dbraw/zinc/56/69/14/526566914.db2.gz DCIFNZWHWQFGMI-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000365940507 526566922 /nfs/dbraw/zinc/56/69/22/526566922.db2.gz DCIFNZWHWQFGMI-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1F ZINC000365690210 526568837 /nfs/dbraw/zinc/56/88/37/526568837.db2.gz FAQUQJZXDPTZDQ-KRWDZBQOSA-N 1 2 309.344 2.910 20 30 DFEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1F ZINC000365690210 526568843 /nfs/dbraw/zinc/56/88/43/526568843.db2.gz FAQUQJZXDPTZDQ-KRWDZBQOSA-N 1 2 309.344 2.910 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)s1 ZINC000372413964 526610810 /nfs/dbraw/zinc/61/08/10/526610810.db2.gz TZUMWGVORLEWBM-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)s1 ZINC000372413964 526610819 /nfs/dbraw/zinc/61/08/19/526610819.db2.gz TZUMWGVORLEWBM-UHFFFAOYSA-N 1 2 315.398 2.561 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(NCc2ccc(C#N)cc2F)[nH+]1 ZINC000301988342 528294716 /nfs/dbraw/zinc/29/47/16/528294716.db2.gz LKRKAXJEYIGCFR-UHFFFAOYSA-N 1 2 314.368 2.684 20 30 DFEDLO CC(C)c1nc(NCc2ccc(C#N)cc2F)nc(N(C)C)[nH+]1 ZINC000301988342 528294719 /nfs/dbraw/zinc/29/47/19/528294719.db2.gz LKRKAXJEYIGCFR-UHFFFAOYSA-N 1 2 314.368 2.684 20 30 DFEDLO C=CCCCNC(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000684136398 546156967 /nfs/dbraw/zinc/15/69/67/546156967.db2.gz FVWUBFHBPOPDLX-UHFFFAOYSA-N 1 2 300.406 2.864 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)c1 ZINC000278438055 214152739 /nfs/dbraw/zinc/15/27/39/214152739.db2.gz LATURMNRGHBUGZ-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596172707 398347173 /nfs/dbraw/zinc/34/71/73/398347173.db2.gz NBQPJZBWWYGGRQ-AWEZNQCLSA-N 1 2 323.356 2.861 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCCC[C@H]3C#N)cn2c1 ZINC000596177680 398347921 /nfs/dbraw/zinc/34/79/21/398347921.db2.gz FHUNMCHLDXYTQC-DZGCQCFKSA-N 1 2 311.389 2.524 20 30 DFEDLO CC[N@@H+](CCC#N)CCOc1ccc(C(=O)OC)cc1Cl ZINC000081515174 398355047 /nfs/dbraw/zinc/35/50/47/398355047.db2.gz YFFYKCBBTZLVQU-UHFFFAOYSA-N 1 2 310.781 2.741 20 30 DFEDLO CC[N@H+](CCC#N)CCOc1ccc(C(=O)OC)cc1Cl ZINC000081515174 398355049 /nfs/dbraw/zinc/35/50/49/398355049.db2.gz YFFYKCBBTZLVQU-UHFFFAOYSA-N 1 2 310.781 2.741 20 30 DFEDLO COC(=O)Cc1cc[nH+]c(N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000596215104 398359387 /nfs/dbraw/zinc/35/93/87/398359387.db2.gz MRCXPKASQFEPAH-INIZCTEOSA-N 1 2 307.353 2.768 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1C1CCC1 ZINC000591999300 398371188 /nfs/dbraw/zinc/37/11/88/398371188.db2.gz MNTQFRCFYJGYPT-OAHLLOKOSA-N 1 2 310.405 2.899 20 30 DFEDLO Cc1c(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000596280430 398375271 /nfs/dbraw/zinc/37/52/71/398375271.db2.gz DWYRZBYFLNKTQS-BYNSBNAKSA-N 1 2 310.405 2.993 20 30 DFEDLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578776217 398375721 /nfs/dbraw/zinc/37/57/21/398375721.db2.gz YYQSZOYOESDXEP-ZRGWGRIASA-N 1 2 313.445 2.936 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)C[C@@H](C)C#N ZINC000066424903 398376818 /nfs/dbraw/zinc/37/68/18/398376818.db2.gz GWGBCVKKIWSFED-GJZGRUSLSA-N 1 2 317.433 2.696 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)C[C@@H](C)C#N ZINC000066424903 398376821 /nfs/dbraw/zinc/37/68/21/398376821.db2.gz GWGBCVKKIWSFED-GJZGRUSLSA-N 1 2 317.433 2.696 20 30 DFEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592060541 398378372 /nfs/dbraw/zinc/37/83/72/398378372.db2.gz TXCWHFSZVHWITL-UHFFFAOYSA-N 1 2 317.396 2.537 20 30 DFEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592060541 398378374 /nfs/dbraw/zinc/37/83/74/398378374.db2.gz TXCWHFSZVHWITL-UHFFFAOYSA-N 1 2 317.396 2.537 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000066470519 398379697 /nfs/dbraw/zinc/37/96/97/398379697.db2.gz VPRWGYGYSLJIKQ-HOCLYGCPSA-N 1 2 304.434 2.815 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000066470519 398379700 /nfs/dbraw/zinc/37/97/00/398379700.db2.gz VPRWGYGYSLJIKQ-HOCLYGCPSA-N 1 2 304.434 2.815 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592074709 398380315 /nfs/dbraw/zinc/38/03/15/398380315.db2.gz MGILIRSQASVOCA-AWEZNQCLSA-N 1 2 315.417 2.897 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592074709 398380319 /nfs/dbraw/zinc/38/03/19/398380319.db2.gz MGILIRSQASVOCA-AWEZNQCLSA-N 1 2 315.417 2.897 20 30 DFEDLO N#CC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000579703062 398382733 /nfs/dbraw/zinc/38/27/33/398382733.db2.gz QMSUFODQJGEIDW-MRXNPFEDSA-N 1 2 308.385 2.694 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581028572 398386900 /nfs/dbraw/zinc/38/69/00/398386900.db2.gz HZOBZQLJIZLSKG-QGZVFWFLSA-N 1 2 309.413 2.703 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000592152445 398392097 /nfs/dbraw/zinc/39/20/97/398392097.db2.gz XWBIHXVUKDJJBS-MRXNPFEDSA-N 1 2 317.389 2.800 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000592152445 398392099 /nfs/dbraw/zinc/39/20/99/398392099.db2.gz XWBIHXVUKDJJBS-MRXNPFEDSA-N 1 2 317.389 2.800 20 30 DFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000592158526 398394403 /nfs/dbraw/zinc/39/44/03/398394403.db2.gz MKDXCCZKHVTHMJ-UHFFFAOYSA-N 1 2 321.446 2.959 20 30 DFEDLO COc1cc(C)[nH+]c(CSc2nnc(C)c(C)c2C#N)c1 ZINC000272786840 210189024 /nfs/dbraw/zinc/18/90/24/210189024.db2.gz SCVCSLZNQUWTRR-UHFFFAOYSA-N 1 2 300.387 2.969 20 30 DFEDLO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596449315 398415781 /nfs/dbraw/zinc/41/57/81/398415781.db2.gz DODAVBTXTBLZSE-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000592432780 398425579 /nfs/dbraw/zinc/42/55/79/398425579.db2.gz SLPSZXNPYCSKPE-FZMZJTMJSA-N 1 2 311.307 2.772 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000592521700 398440234 /nfs/dbraw/zinc/44/02/34/398440234.db2.gz AYASZLNPLUXZCO-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000592521700 398440237 /nfs/dbraw/zinc/44/02/37/398440237.db2.gz AYASZLNPLUXZCO-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO COc1cccc(CNc2[nH+]cnc3c2cnn3CCC#N)c1C ZINC000596552057 398445604 /nfs/dbraw/zinc/44/56/04/398445604.db2.gz KDPGWZZGYFCPBH-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773083 398456287 /nfs/dbraw/zinc/45/62/87/398456287.db2.gz NLTJBJRRRAXCNE-CYBMUJFWSA-N 1 2 317.307 2.787 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773083 398456289 /nfs/dbraw/zinc/45/62/89/398456289.db2.gz NLTJBJRRRAXCNE-CYBMUJFWSA-N 1 2 317.307 2.787 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000280650553 398460673 /nfs/dbraw/zinc/46/06/73/398460673.db2.gz OCRDLTQHIVLZPF-KURKYZTESA-N 1 2 317.429 2.732 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000280650551 398460891 /nfs/dbraw/zinc/46/08/91/398460891.db2.gz OCRDLTQHIVLZPF-KSZLIROESA-N 1 2 317.429 2.732 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000028658085 398475367 /nfs/dbraw/zinc/47/53/67/398475367.db2.gz KYVAENURAJTSHJ-CJNGLKHVSA-N 1 2 311.364 2.682 20 30 DFEDLO Cc1cccc2[nH+]c(CCNC(=O)C3(C#N)CCCCC3)cn21 ZINC000592746821 398479880 /nfs/dbraw/zinc/47/98/80/398479880.db2.gz WZGPBIBEYVVFEY-UHFFFAOYSA-N 1 2 310.401 2.776 20 30 DFEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029319034 398483659 /nfs/dbraw/zinc/48/36/59/398483659.db2.gz WSDNJTIPEBMXCR-CYBMUJFWSA-N 1 2 304.781 2.648 20 30 DFEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029319029 398483881 /nfs/dbraw/zinc/48/38/81/398483881.db2.gz WSDNJTIPEBMXCR-ZDUSSCGKSA-N 1 2 304.781 2.648 20 30 DFEDLO C=CCCSCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000596716046 398484580 /nfs/dbraw/zinc/48/45/80/398484580.db2.gz CXWHUVFQMQCFMH-HUUCEWRRSA-N 1 2 322.478 2.785 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000596727642 398487500 /nfs/dbraw/zinc/48/75/00/398487500.db2.gz KZDWFAOJLVNDAJ-KRWDZBQOSA-N 1 2 309.373 2.855 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000596742267 398491299 /nfs/dbraw/zinc/49/12/99/398491299.db2.gz VWICRIOSEWNCQE-HNNXBMFYSA-N 1 2 320.396 2.577 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000596742267 398491301 /nfs/dbraw/zinc/49/13/01/398491301.db2.gz VWICRIOSEWNCQE-HNNXBMFYSA-N 1 2 320.396 2.577 20 30 DFEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCCCCC#N ZINC000588343287 398495281 /nfs/dbraw/zinc/49/52/81/398495281.db2.gz SWKGULNBBFINEY-UHFFFAOYSA-N 1 2 316.327 2.878 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000596766496 398497335 /nfs/dbraw/zinc/49/73/35/398497335.db2.gz AZUDJGDXIMYCCX-IHRRRGAJSA-N 1 2 301.394 2.729 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596796376 398503640 /nfs/dbraw/zinc/50/36/40/398503640.db2.gz IXOIODHAHWXTTM-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H](C)O)CC2)c1C#N ZINC000091069441 398507369 /nfs/dbraw/zinc/50/73/69/398507369.db2.gz KZYOSFNLBHTUFP-OAHLLOKOSA-N 1 2 324.428 2.645 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000068612896 398516642 /nfs/dbraw/zinc/51/66/42/398516642.db2.gz NEGCWLLBEZZGAV-NEPJUHHUSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000068612896 398516645 /nfs/dbraw/zinc/51/66/45/398516645.db2.gz NEGCWLLBEZZGAV-NEPJUHHUSA-N 1 2 316.323 2.679 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000596894327 398524633 /nfs/dbraw/zinc/52/46/33/398524633.db2.gz LEYORWDKVPHXBN-RYUDHWBXSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000596894327 398524634 /nfs/dbraw/zinc/52/46/34/398524634.db2.gz LEYORWDKVPHXBN-RYUDHWBXSA-N 1 2 306.435 2.863 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000589128567 398529240 /nfs/dbraw/zinc/52/92/40/398529240.db2.gz FOWRWYSIIFSMOK-INIZCTEOSA-N 1 2 308.385 2.588 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056114 398532346 /nfs/dbraw/zinc/53/23/46/398532346.db2.gz YEGPUHDVEGAHSU-SJORKVTESA-N 1 2 316.401 2.662 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056114 398532348 /nfs/dbraw/zinc/53/23/48/398532348.db2.gz YEGPUHDVEGAHSU-SJORKVTESA-N 1 2 316.401 2.662 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)n1 ZINC000593058395 398533501 /nfs/dbraw/zinc/53/35/01/398533501.db2.gz LJXWUPGYICDZKB-UHFFFAOYSA-N 1 2 305.300 2.881 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CO1 ZINC000593058291 398534024 /nfs/dbraw/zinc/53/40/24/398534024.db2.gz LBOIPHKBKVRQBG-HOTGVXAUSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CO1 ZINC000593058291 398534026 /nfs/dbraw/zinc/53/40/26/398534026.db2.gz LBOIPHKBKVRQBG-HOTGVXAUSA-N 1 2 321.465 2.561 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2(CCC2)CO1 ZINC000593091118 398542870 /nfs/dbraw/zinc/54/28/70/398542870.db2.gz FOBOMAYOMPHUOG-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2(CCC2)CO1 ZINC000593091118 398542875 /nfs/dbraw/zinc/54/28/75/398542875.db2.gz FOBOMAYOMPHUOG-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589314933 398544463 /nfs/dbraw/zinc/54/44/63/398544463.db2.gz KBNLPESZTIWMLJ-LBPRGKRZSA-N 1 2 301.371 2.637 20 30 DFEDLO N#Cc1csc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)n1 ZINC000589313073 398544739 /nfs/dbraw/zinc/54/47/39/398544739.db2.gz BCWDYFNLXRLBFJ-OAHLLOKOSA-N 1 2 309.398 2.742 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597018114 398549015 /nfs/dbraw/zinc/54/90/15/398549015.db2.gz BLFUFKGFMXLKOX-MRXNPFEDSA-N 1 2 307.401 2.707 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597018114 398549019 /nfs/dbraw/zinc/54/90/19/398549019.db2.gz BLFUFKGFMXLKOX-MRXNPFEDSA-N 1 2 307.401 2.707 20 30 DFEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125562 398553308 /nfs/dbraw/zinc/55/33/08/398553308.db2.gz OUJIBQOVSOTUMC-KRWDZBQOSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125562 398553314 /nfs/dbraw/zinc/55/33/14/398553314.db2.gz OUJIBQOVSOTUMC-KRWDZBQOSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)n1C ZINC000069169294 398555123 /nfs/dbraw/zinc/55/51/23/398555123.db2.gz FJNSMKCIQVHLQA-GOSISDBHSA-N 1 2 317.396 2.874 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000280878614 334966682 /nfs/dbraw/zinc/96/66/82/334966682.db2.gz BAERVPLTEKGCCI-OAHLLOKOSA-N 1 2 302.422 2.836 20 30 DFEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589496734 398557549 /nfs/dbraw/zinc/55/75/49/398557549.db2.gz JQZLZTXCASYHLK-UHFFFAOYSA-N 1 2 314.307 2.962 20 30 DFEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589496734 398557551 /nfs/dbraw/zinc/55/75/51/398557551.db2.gz JQZLZTXCASYHLK-UHFFFAOYSA-N 1 2 314.307 2.962 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc(C#N)ccn1 ZINC000589535722 398559738 /nfs/dbraw/zinc/55/97/38/398559738.db2.gz SBPPEOUNGLWUGG-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000597082527 398562982 /nfs/dbraw/zinc/56/29/82/398562982.db2.gz VPYNJZKYKGBRCL-OAHLLOKOSA-N 1 2 300.402 2.919 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000589560634 398560865 /nfs/dbraw/zinc/56/08/65/398560865.db2.gz QPTZBGWYBGXBQW-JTQLQIEISA-N 1 2 313.311 2.504 20 30 DFEDLO C=CCCOCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000280541416 334968391 /nfs/dbraw/zinc/96/83/91/334968391.db2.gz DJBPVSAJIVHLQE-OAHLLOKOSA-N 1 2 320.437 2.732 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000597183067 398583870 /nfs/dbraw/zinc/58/38/70/398583870.db2.gz IYXGTYMUTRDUMC-UHFFFAOYSA-N 1 2 314.439 2.875 20 30 DFEDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ncnn21 ZINC000597181965 398584247 /nfs/dbraw/zinc/58/42/47/398584247.db2.gz PUWFGLUMEVNEAF-RNCFNFMXSA-N 1 2 321.306 2.964 20 30 DFEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000042157196 398584714 /nfs/dbraw/zinc/58/47/14/398584714.db2.gz FKIWFVLQCZIGLV-QGZVFWFLSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000042157196 398584716 /nfs/dbraw/zinc/58/47/16/398584716.db2.gz FKIWFVLQCZIGLV-QGZVFWFLSA-N 1 2 319.836 2.970 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000287060196 219291565 /nfs/dbraw/zinc/29/15/65/219291565.db2.gz UAJLPTLTYHCBCP-UHFFFAOYSA-N 1 2 300.314 2.999 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000069876010 398587791 /nfs/dbraw/zinc/58/77/91/398587791.db2.gz FZPWYDJTCZHACE-SUMWQHHRSA-N 1 2 305.397 2.700 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000069876010 398587795 /nfs/dbraw/zinc/58/77/95/398587795.db2.gz FZPWYDJTCZHACE-SUMWQHHRSA-N 1 2 305.397 2.700 20 30 DFEDLO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c(OC)c1OC ZINC000597196527 398587437 /nfs/dbraw/zinc/58/74/37/398587437.db2.gz FGSBWTSYEMSPPR-TZMCWYRMSA-N 1 2 304.390 2.884 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000279979863 215286122 /nfs/dbraw/zinc/28/61/22/215286122.db2.gz JOYRPLQFHIIZJA-NSHDSACASA-N 1 2 319.879 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000279979863 215286126 /nfs/dbraw/zinc/28/61/26/215286126.db2.gz JOYRPLQFHIIZJA-NSHDSACASA-N 1 2 319.879 2.824 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000590307367 398612233 /nfs/dbraw/zinc/61/22/33/398612233.db2.gz KGSDMXSEPLRARX-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000071090455 398610147 /nfs/dbraw/zinc/61/01/47/398610147.db2.gz YJDDYQKPABMABN-HXUWFJFHSA-N 1 2 321.424 2.961 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000351028498 398614341 /nfs/dbraw/zinc/61/43/41/398614341.db2.gz UHNMYQCNPODHIJ-SOUVJXGZSA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)OCC ZINC000351028498 398614343 /nfs/dbraw/zinc/61/43/43/398614343.db2.gz UHNMYQCNPODHIJ-SOUVJXGZSA-N 1 2 321.421 2.519 20 30 DFEDLO Cn1c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2[nH+]c1C1CC1 ZINC000089989514 282670829 /nfs/dbraw/zinc/67/08/29/282670829.db2.gz BELYJFWFXRNAMX-UHFFFAOYSA-N 1 2 305.341 2.903 20 30 DFEDLO CC[C@@H](C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000593407349 398620573 /nfs/dbraw/zinc/62/05/73/398620573.db2.gz ROIWIPZRGYQEKS-HNNXBMFYSA-N 1 2 300.406 2.628 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043627773 398626277 /nfs/dbraw/zinc/62/62/77/398626277.db2.gz LETLJTCAOMSIKP-YVEFUNNKSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043627773 398626280 /nfs/dbraw/zinc/62/62/80/398626280.db2.gz LETLJTCAOMSIKP-YVEFUNNKSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)CCN(CCC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593453695 398633832 /nfs/dbraw/zinc/63/38/32/398633832.db2.gz LGUBWIBWGGFHDK-UHFFFAOYSA-N 1 2 302.422 2.550 20 30 DFEDLO C#Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000043983824 398633899 /nfs/dbraw/zinc/63/38/99/398633899.db2.gz WOZOUEZNHVHQRF-UHFFFAOYSA-N 1 2 320.396 2.985 20 30 DFEDLO CC[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593458622 398634571 /nfs/dbraw/zinc/63/45/71/398634571.db2.gz QKEBMBDLRLENQD-HNNXBMFYSA-N 1 2 300.406 2.628 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000597423038 398638221 /nfs/dbraw/zinc/63/82/21/398638221.db2.gz TUYSNFIRBQMIQV-BZUAXINKSA-N 1 2 308.385 2.685 20 30 DFEDLO C[C@@](C#N)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000593473295 398640337 /nfs/dbraw/zinc/64/03/37/398640337.db2.gz SVMPZTOKJNWPNQ-SFHVURJKSA-N 1 2 314.433 2.741 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590731748 398661673 /nfs/dbraw/zinc/66/16/73/398661673.db2.gz XTSOSNUHQQOPGU-MRXNPFEDSA-N 1 2 311.385 2.925 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C)cn2)c1C#N ZINC000590754656 398666845 /nfs/dbraw/zinc/66/68/45/398666845.db2.gz MTVUICCBHDBNOI-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C)cn2)c1C#N ZINC000590754656 398666847 /nfs/dbraw/zinc/66/68/47/398666847.db2.gz MTVUICCBHDBNOI-UHFFFAOYSA-N 1 2 309.369 2.680 20 30 DFEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172589682 198119510 /nfs/dbraw/zinc/11/95/10/198119510.db2.gz IIFKMDYCFNLVTE-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172589682 198119511 /nfs/dbraw/zinc/11/95/11/198119511.db2.gz IIFKMDYCFNLVTE-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000072515431 191186389 /nfs/dbraw/zinc/18/63/89/191186389.db2.gz KEDNDHQNGYKSDU-SECBINFHSA-N 1 2 317.252 2.633 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000072515431 191186392 /nfs/dbraw/zinc/18/63/92/191186392.db2.gz KEDNDHQNGYKSDU-SECBINFHSA-N 1 2 317.252 2.633 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc2c(n1)CCOC2 ZINC000593716342 398676367 /nfs/dbraw/zinc/67/63/67/398676367.db2.gz VXLZATFDLAQPOZ-SFHVURJKSA-N 1 2 320.396 2.588 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc(C#N)c1 ZINC000590807652 398678856 /nfs/dbraw/zinc/67/88/56/398678856.db2.gz PJGDBRKPHLXSTH-TYNCELHUSA-N 1 2 309.373 2.821 20 30 DFEDLO N#CC1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000590831549 398683835 /nfs/dbraw/zinc/68/38/35/398683835.db2.gz CMIZLXJLUQFJQB-UHFFFAOYSA-N 1 2 321.384 2.874 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597736719 398688711 /nfs/dbraw/zinc/68/87/11/398688711.db2.gz OEMMQZFNWYQVRH-VIFPVBQESA-N 1 2 304.300 2.544 20 30 DFEDLO C[NH+](C)Cc1csc(NC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC000590894634 398697267 /nfs/dbraw/zinc/69/72/67/398697267.db2.gz TZUNZWSARICDCY-HNNXBMFYSA-N 1 2 304.419 2.617 20 30 DFEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590955505 398707456 /nfs/dbraw/zinc/70/74/56/398707456.db2.gz AMLWTJFDBHOHBM-VIFPVBQESA-N 1 2 300.318 2.922 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000590972759 398712095 /nfs/dbraw/zinc/71/20/95/398712095.db2.gz ZQTWBPHNFOBAGY-GJZGRUSLSA-N 1 2 310.426 2.742 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000590972759 398712097 /nfs/dbraw/zinc/71/20/97/398712097.db2.gz ZQTWBPHNFOBAGY-GJZGRUSLSA-N 1 2 310.426 2.742 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)[NH+]1CCSCC1 ZINC000590999829 398713425 /nfs/dbraw/zinc/71/34/25/398713425.db2.gz JHWAMGHRBXRUKX-LLVKDONJSA-N 1 2 323.849 2.782 20 30 DFEDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000277082993 213282271 /nfs/dbraw/zinc/28/22/71/213282271.db2.gz FJOCWWCDKBPWDI-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000277082993 213282274 /nfs/dbraw/zinc/28/22/74/213282274.db2.gz FJOCWWCDKBPWDI-UHFFFAOYSA-N 1 2 311.410 2.925 20 30 DFEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCCCC#N)c1ccccc1 ZINC000593993897 398716122 /nfs/dbraw/zinc/71/61/22/398716122.db2.gz IEYFFOASWKENBQ-MRXNPFEDSA-N 1 2 310.401 2.904 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000591025929 398716892 /nfs/dbraw/zinc/71/68/92/398716892.db2.gz HTBDAJGIVKTSKO-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000597904847 398717063 /nfs/dbraw/zinc/71/70/63/398717063.db2.gz UWMSAOBBGXXDBV-HNNXBMFYSA-N 1 2 308.385 2.697 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000597914815 398719203 /nfs/dbraw/zinc/71/92/03/398719203.db2.gz VZHCRFHLKBUOKO-OAHLLOKOSA-N 1 2 308.385 2.697 20 30 DFEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000111450063 398727793 /nfs/dbraw/zinc/72/77/93/398727793.db2.gz RMZHPISPSVXTNC-UHFFFAOYSA-N 1 2 314.433 2.789 20 30 DFEDLO N#Cc1c(Br)cccc1N1CCn2c[nH+]cc2C1 ZINC000377979608 283073222 /nfs/dbraw/zinc/07/32/22/283073222.db2.gz YZCPWJDWRUSRQJ-UHFFFAOYSA-N 1 2 303.163 2.537 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C(=O)OC ZINC000591260446 398743349 /nfs/dbraw/zinc/74/33/49/398743349.db2.gz AQKJLVQBTJWRKP-BBRMVZONSA-N 1 2 323.820 2.531 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000591322694 398748829 /nfs/dbraw/zinc/74/88/29/398748829.db2.gz IFTNJRAEWQJWMK-NVXWUHKLSA-N 1 2 320.396 2.511 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743242 398759565 /nfs/dbraw/zinc/75/95/65/398759565.db2.gz CQBNZJUNKRSTCL-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594246136 398773323 /nfs/dbraw/zinc/77/33/23/398773323.db2.gz MQDXSCYTCSVMAM-LBPRGKRZSA-N 1 2 309.373 2.561 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2c(F)cc(C#N)cc2F)C1 ZINC000591632550 398777558 /nfs/dbraw/zinc/77/75/58/398777558.db2.gz VJDUDQCRSIOCAK-MFKMUULPSA-N 1 2 304.300 2.526 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000591631086 398777665 /nfs/dbraw/zinc/77/76/65/398777665.db2.gz NMSBQIOLUVAQLS-OCCSQVGLSA-N 1 2 302.765 2.901 20 30 DFEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cs1 ZINC000184729211 199757348 /nfs/dbraw/zinc/75/73/48/199757348.db2.gz MXPYGEXUVZMTEP-NSHDSACASA-N 1 2 314.414 2.866 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594333844 398783807 /nfs/dbraw/zinc/78/38/07/398783807.db2.gz VPAKHERSRNSKDR-WBVHZDCISA-N 1 2 321.371 2.910 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594333844 398783809 /nfs/dbraw/zinc/78/38/09/398783809.db2.gz VPAKHERSRNSKDR-WBVHZDCISA-N 1 2 321.371 2.910 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594333841 398783878 /nfs/dbraw/zinc/78/38/78/398783878.db2.gz VPAKHERSRNSKDR-DOTOQJQBSA-N 1 2 321.371 2.910 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594333841 398783882 /nfs/dbraw/zinc/78/38/82/398783882.db2.gz VPAKHERSRNSKDR-DOTOQJQBSA-N 1 2 321.371 2.910 20 30 DFEDLO N#CC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000591815797 398790245 /nfs/dbraw/zinc/79/02/45/398790245.db2.gz XTIDUXCGMNOQIE-HNNXBMFYSA-N 1 2 308.385 2.884 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1=O ZINC000281409969 334982601 /nfs/dbraw/zinc/98/26/01/334982601.db2.gz RADZPCYWHUAPNO-RBUKOAKNSA-N 1 2 321.424 2.856 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000591808411 398789480 /nfs/dbraw/zinc/78/94/80/398789480.db2.gz ICRBINMUNMHETO-CJNGLKHVSA-N 1 2 308.385 2.537 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000591852956 398795594 /nfs/dbraw/zinc/79/55/94/398795594.db2.gz UDTKNXQXBATAET-XJKSGUPXSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1C(=O)OC(C)(C)C ZINC000591852956 398795597 /nfs/dbraw/zinc/79/55/97/398795597.db2.gz UDTKNXQXBATAET-XJKSGUPXSA-N 1 2 315.417 2.895 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000075299569 398796444 /nfs/dbraw/zinc/79/64/44/398796444.db2.gz YDEWGUAZQHCRMJ-DLBZAZTESA-N 1 2 308.385 2.572 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000075296538 398795818 /nfs/dbraw/zinc/79/58/18/398795818.db2.gz FZRIHSPIPPZYSJ-ZWKOTPCHSA-N 1 2 322.412 2.962 20 30 DFEDLO N#Cc1cnc(N2CCCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000302220174 283231272 /nfs/dbraw/zinc/23/12/72/283231272.db2.gz LZAYTTKHYXKKAO-UHFFFAOYSA-N 1 2 313.792 2.718 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000049982529 398800979 /nfs/dbraw/zinc/80/09/79/398800979.db2.gz WFIRWNVMQROTKE-GJZGRUSLSA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000049982529 398800982 /nfs/dbraw/zinc/80/09/82/398800982.db2.gz WFIRWNVMQROTKE-GJZGRUSLSA-N 1 2 301.434 2.908 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000050108042 398803983 /nfs/dbraw/zinc/80/39/83/398803983.db2.gz HMUIWWMCNMFACP-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO CC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594507561 398812325 /nfs/dbraw/zinc/81/23/25/398812325.db2.gz HMIVRLZPLFLIMH-GJZGRUSLSA-N 1 2 311.389 2.769 20 30 DFEDLO COc1c(C)[nH+]cnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000594569047 398822934 /nfs/dbraw/zinc/82/29/34/398822934.db2.gz ZHOAELIPZKTPKS-UHFFFAOYSA-N 1 2 306.369 2.959 20 30 DFEDLO COC[C@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000594597141 398827825 /nfs/dbraw/zinc/82/78/25/398827825.db2.gz DTTRYWIGHKTLAA-LBPRGKRZSA-N 1 2 316.409 2.603 20 30 DFEDLO C[C@H](CNc1ncc(C#N)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591245 398825741 /nfs/dbraw/zinc/82/57/41/398825741.db2.gz IZORKWKAWQGCFE-UTUOFQBUSA-N 1 2 308.813 2.516 20 30 DFEDLO C[C@H](CNc1ncc(C#N)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591245 398825743 /nfs/dbraw/zinc/82/57/43/398825743.db2.gz IZORKWKAWQGCFE-UTUOFQBUSA-N 1 2 308.813 2.516 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029373 398830513 /nfs/dbraw/zinc/83/05/13/398830513.db2.gz LNIIGRUMPTZIOC-AWEZNQCLSA-N 1 2 322.393 2.873 20 30 DFEDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592564 398837307 /nfs/dbraw/zinc/83/73/07/398837307.db2.gz MFKQALQHVDCIOM-ZFWWWQNUSA-N 1 2 306.406 2.516 20 30 DFEDLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592564 398837310 /nfs/dbraw/zinc/83/73/10/398837310.db2.gz MFKQALQHVDCIOM-ZFWWWQNUSA-N 1 2 306.406 2.516 20 30 DFEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n2c1CCCC2 ZINC000598675340 398853815 /nfs/dbraw/zinc/85/38/15/398853815.db2.gz XRAZNCNPXNTWGB-SFHVURJKSA-N 1 2 315.417 2.737 20 30 DFEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)n2c1CCCC2 ZINC000598675340 398853816 /nfs/dbraw/zinc/85/38/16/398853816.db2.gz XRAZNCNPXNTWGB-SFHVURJKSA-N 1 2 315.417 2.737 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000598701360 398857520 /nfs/dbraw/zinc/85/75/20/398857520.db2.gz KDEHNWOGIJPMDD-SECBINFHSA-N 1 2 312.295 2.751 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000076718964 398866848 /nfs/dbraw/zinc/86/68/48/398866848.db2.gz GLEOKYBMXLDMGQ-STQMWFEESA-N 1 2 305.447 2.675 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000076718964 398866851 /nfs/dbraw/zinc/86/68/51/398866851.db2.gz GLEOKYBMXLDMGQ-STQMWFEESA-N 1 2 305.447 2.675 20 30 DFEDLO Cc1c[nH]c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)[nH+]1 ZINC000594936258 398876289 /nfs/dbraw/zinc/87/62/89/398876289.db2.gz AIXVBWDCHWDAQS-UHFFFAOYSA-N 1 2 323.400 2.913 20 30 DFEDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ncnn21 ZINC000594957124 398880858 /nfs/dbraw/zinc/88/08/58/398880858.db2.gz NBCRNKPIJYRROH-BBRMVZONSA-N 1 2 311.389 2.756 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000077184805 398886431 /nfs/dbraw/zinc/88/64/31/398886431.db2.gz LJYBCUGXORGKJB-UHFFFAOYSA-N 1 2 321.371 2.691 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000077184805 398886434 /nfs/dbraw/zinc/88/64/34/398886434.db2.gz LJYBCUGXORGKJB-UHFFFAOYSA-N 1 2 321.371 2.691 20 30 DFEDLO N#Cc1nnc2ccccc2c1NCCc1cn2ccccc2[nH+]1 ZINC000077487373 398906679 /nfs/dbraw/zinc/90/66/79/398906679.db2.gz COSVOKICYBMYKI-UHFFFAOYSA-N 1 2 314.352 2.804 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000187087009 200059503 /nfs/dbraw/zinc/05/95/03/200059503.db2.gz VEQWAVUJNPKCNG-QGZVFWFLSA-N 1 2 319.836 2.508 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000187087009 200059505 /nfs/dbraw/zinc/05/95/05/200059505.db2.gz VEQWAVUJNPKCNG-QGZVFWFLSA-N 1 2 319.836 2.508 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000077573900 398911607 /nfs/dbraw/zinc/91/16/07/398911607.db2.gz MBRLIOBANLFFLN-UHFFFAOYSA-N 1 2 308.744 2.563 20 30 DFEDLO C=CC[N@@H+](Cc1cc(OC)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000595296780 398917608 /nfs/dbraw/zinc/91/76/08/398917608.db2.gz JVYLGUOPLVEVAJ-UHFFFAOYSA-N 1 2 303.318 2.780 20 30 DFEDLO C=CC[N@H+](Cc1cc(OC)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000595296780 398917609 /nfs/dbraw/zinc/91/76/09/398917609.db2.gz JVYLGUOPLVEVAJ-UHFFFAOYSA-N 1 2 303.318 2.780 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595330625 398922531 /nfs/dbraw/zinc/92/25/31/398922531.db2.gz MIOYLXKQSXETIY-QGZVFWFLSA-N 1 2 320.440 2.875 20 30 DFEDLO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)c2ccccc2n1 ZINC000599133169 398926398 /nfs/dbraw/zinc/92/63/98/398926398.db2.gz CPUKOWOAMPJVCX-ZDUSSCGKSA-N 1 2 316.355 2.670 20 30 DFEDLO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)c2ccccc2n1 ZINC000599133169 398926400 /nfs/dbraw/zinc/92/64/00/398926400.db2.gz CPUKOWOAMPJVCX-ZDUSSCGKSA-N 1 2 316.355 2.670 20 30 DFEDLO C=CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000189186893 200361513 /nfs/dbraw/zinc/36/15/13/200361513.db2.gz PHTFRWRBBFRAOV-BQFCYCMXSA-N 1 2 316.445 2.572 20 30 DFEDLO C=CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000189186908 200361531 /nfs/dbraw/zinc/36/15/31/200361531.db2.gz PHTFRWRBBFRAOV-RYRKJORJSA-N 1 2 316.445 2.572 20 30 DFEDLO C[N@H+](Cc1ccsc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000152900039 398934305 /nfs/dbraw/zinc/93/43/05/398934305.db2.gz RWVVJPDVHADYKA-CYBMUJFWSA-N 1 2 317.439 2.919 20 30 DFEDLO C[N@@H+](Cc1ccsc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000152900039 398934309 /nfs/dbraw/zinc/93/43/09/398934309.db2.gz RWVVJPDVHADYKA-CYBMUJFWSA-N 1 2 317.439 2.919 20 30 DFEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000153321991 398936078 /nfs/dbraw/zinc/93/60/78/398936078.db2.gz XYCICMWGRIZMDT-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO N#Cc1cccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000055815810 398944467 /nfs/dbraw/zinc/94/44/67/398944467.db2.gz ZQTSOGOQRUBUFT-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155196236 398945214 /nfs/dbraw/zinc/94/52/14/398945214.db2.gz BVEUZLLBVZHACC-IWTAEOLZSA-N 1 2 317.477 2.941 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155196236 398945216 /nfs/dbraw/zinc/94/52/16/398945216.db2.gz BVEUZLLBVZHACC-IWTAEOLZSA-N 1 2 317.477 2.941 20 30 DFEDLO CCOc1ccc([C@H](COC)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352944128 269673646 /nfs/dbraw/zinc/67/36/46/269673646.db2.gz OKHIGQZJBQWWLO-HNNXBMFYSA-N 1 2 317.414 2.891 20 30 DFEDLO Cc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1[N+](=O)[O-] ZINC000595564035 398973478 /nfs/dbraw/zinc/97/34/78/398973478.db2.gz YBRPLDMCFIQUAB-UHFFFAOYSA-N 1 2 312.329 2.932 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000599454428 398986458 /nfs/dbraw/zinc/98/64/58/398986458.db2.gz NHPPAQCGHXFSNZ-HZPDHXFCSA-N 1 2 322.449 2.533 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000599455540 398988410 /nfs/dbraw/zinc/98/84/10/398988410.db2.gz RMMQZVAMDQNTHJ-COXVUDFISA-N 1 2 318.392 2.642 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000599455540 398988413 /nfs/dbraw/zinc/98/84/13/398988413.db2.gz RMMQZVAMDQNTHJ-COXVUDFISA-N 1 2 318.392 2.642 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000195081460 201336666 /nfs/dbraw/zinc/33/66/66/201336666.db2.gz MIECRCAJPYXTTB-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000195081460 201336670 /nfs/dbraw/zinc/33/66/70/201336670.db2.gz MIECRCAJPYXTTB-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514773 399000233 /nfs/dbraw/zinc/00/02/33/399000233.db2.gz ZRTVTECOFYNKNO-TYNCELHUSA-N 1 2 322.355 2.995 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514773 399000238 /nfs/dbraw/zinc/00/02/38/399000238.db2.gz ZRTVTECOFYNKNO-TYNCELHUSA-N 1 2 322.355 2.995 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000595616129 399002233 /nfs/dbraw/zinc/00/22/33/399002233.db2.gz PYZVDHDMWNGOLT-IUODEOHRSA-N 1 2 319.355 2.696 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000595616129 399002235 /nfs/dbraw/zinc/00/22/35/399002235.db2.gz PYZVDHDMWNGOLT-IUODEOHRSA-N 1 2 319.355 2.696 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000595615982 399003233 /nfs/dbraw/zinc/00/32/33/399003233.db2.gz OZDMKHMQFAHRJV-QGZVFWFLSA-N 1 2 309.369 2.557 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1F ZINC000595620376 399004723 /nfs/dbraw/zinc/00/47/23/399004723.db2.gz MQRDMAVPOGUTQP-LLVKDONJSA-N 1 2 307.325 2.868 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1F ZINC000595620376 399004724 /nfs/dbraw/zinc/00/47/24/399004724.db2.gz MQRDMAVPOGUTQP-LLVKDONJSA-N 1 2 307.325 2.868 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000595618179 399004791 /nfs/dbraw/zinc/00/47/91/399004791.db2.gz YMZAIFIBCIEGDF-LBPRGKRZSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000595618179 399004792 /nfs/dbraw/zinc/00/47/92/399004792.db2.gz YMZAIFIBCIEGDF-LBPRGKRZSA-N 1 2 323.343 2.852 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582295 399021059 /nfs/dbraw/zinc/02/10/59/399021059.db2.gz MOKHVOLIQNJWQV-BBRMVZONSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582295 399021063 /nfs/dbraw/zinc/02/10/63/399021063.db2.gz MOKHVOLIQNJWQV-BBRMVZONSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599608348 399028257 /nfs/dbraw/zinc/02/82/57/399028257.db2.gz TZRUOLWGSKEHCB-MLGOLLRUSA-N 1 2 324.384 2.781 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599608348 399028260 /nfs/dbraw/zinc/02/82/60/399028260.db2.gz TZRUOLWGSKEHCB-MLGOLLRUSA-N 1 2 324.384 2.781 20 30 DFEDLO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)n(C(C)(C)C)n1 ZINC000595692414 399037631 /nfs/dbraw/zinc/03/76/31/399037631.db2.gz NWBWSXDLCRHQEC-ZIAGYGMSSA-N 1 2 317.437 2.557 20 30 DFEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000091961606 193133118 /nfs/dbraw/zinc/13/31/18/193133118.db2.gz UGEHTWDOJHDPCH-UHFFFAOYSA-N 1 2 308.179 2.884 20 30 DFEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000091961606 193133119 /nfs/dbraw/zinc/13/31/19/193133119.db2.gz UGEHTWDOJHDPCH-UHFFFAOYSA-N 1 2 308.179 2.884 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c([N+](=O)[O-])cc1F ZINC000595694098 399038296 /nfs/dbraw/zinc/03/82/96/399038296.db2.gz LGWNHVZXNBFXLT-GXFFZTMASA-N 1 2 307.325 2.914 20 30 DFEDLO Cn1cc(-c2nc(C[NH2+][C@H]3CCCC[C@H]3C#N)cs2)cn1 ZINC000595692794 399038289 /nfs/dbraw/zinc/03/82/89/399038289.db2.gz QMNXKUWPVYPWKX-FZMZJTMJSA-N 1 2 301.419 2.716 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645805 399041682 /nfs/dbraw/zinc/04/16/82/399041682.db2.gz FJWCSVUQPYYJIA-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645805 399041688 /nfs/dbraw/zinc/04/16/88/399041688.db2.gz FJWCSVUQPYYJIA-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000595698971 399042412 /nfs/dbraw/zinc/04/24/12/399042412.db2.gz PYOWFYZXDHLEJS-ZIAGYGMSSA-N 1 2 315.442 2.797 20 30 DFEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595701933 399044358 /nfs/dbraw/zinc/04/43/58/399044358.db2.gz UWJLPMVEEARGQR-SWLSCSKDSA-N 1 2 316.361 2.514 20 30 DFEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595700518 399044720 /nfs/dbraw/zinc/04/47/20/399044720.db2.gz NQFFUWZWZMCWHE-TZMCWYRMSA-N 1 2 316.361 2.514 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000595705363 399047328 /nfs/dbraw/zinc/04/73/28/399047328.db2.gz UWRWFKNCIOFWQR-FZMZJTMJSA-N 1 2 316.792 2.520 20 30 DFEDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677514 399059319 /nfs/dbraw/zinc/05/93/19/399059319.db2.gz IAOKCLXDZUGRPL-ZDUSSCGKSA-N 1 2 308.385 2.676 20 30 DFEDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677514 399059323 /nfs/dbraw/zinc/05/93/23/399059323.db2.gz IAOKCLXDZUGRPL-ZDUSSCGKSA-N 1 2 308.385 2.676 20 30 DFEDLO C#CCCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282596217 334995592 /nfs/dbraw/zinc/99/55/92/334995592.db2.gz HEZAINOCQJRXAI-UHFFFAOYSA-N 1 2 312.417 2.725 20 30 DFEDLO C=CCOc1cccc(C[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282741373 334998098 /nfs/dbraw/zinc/99/80/98/334998098.db2.gz RRWJPWVAWZMNPM-UHFFFAOYSA-N 1 2 300.406 2.888 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000618284588 399071173 /nfs/dbraw/zinc/07/11/73/399071173.db2.gz UZDGVBXHZVCWAS-AWEZNQCLSA-N 1 2 310.438 2.749 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000618284588 399071175 /nfs/dbraw/zinc/07/11/75/399071175.db2.gz UZDGVBXHZVCWAS-AWEZNQCLSA-N 1 2 310.438 2.749 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762172 399073860 /nfs/dbraw/zinc/07/38/60/399073860.db2.gz PIBKTGZMKFJONZ-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762172 399073865 /nfs/dbraw/zinc/07/38/65/399073865.db2.gz PIBKTGZMKFJONZ-OAHLLOKOSA-N 1 2 312.385 2.985 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1CC(F)(F)F ZINC000092103342 193159045 /nfs/dbraw/zinc/15/90/45/193159045.db2.gz REOJFQFHVJHAJU-SNVBAGLBSA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1CC(F)(F)F ZINC000092103342 193159047 /nfs/dbraw/zinc/15/90/47/193159047.db2.gz REOJFQFHVJHAJU-SNVBAGLBSA-N 1 2 303.353 2.688 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(C)nn(CC)c2C)c1 ZINC000092143315 193167868 /nfs/dbraw/zinc/16/78/68/193167868.db2.gz QRLIXDJGJTVRRW-UHFFFAOYSA-N 1 2 324.428 2.572 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c(C)nn(CC)c2C)c1 ZINC000092143315 193167870 /nfs/dbraw/zinc/16/78/70/193167870.db2.gz QRLIXDJGJTVRRW-UHFFFAOYSA-N 1 2 324.428 2.572 20 30 DFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000293199204 223441541 /nfs/dbraw/zinc/44/15/41/223441541.db2.gz XOWFEXSDTVUVCK-INIZCTEOSA-N 1 2 323.400 2.715 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305119762 284035916 /nfs/dbraw/zinc/03/59/16/284035916.db2.gz GRYHUQSBJFYABC-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305134189 284036202 /nfs/dbraw/zinc/03/62/02/284036202.db2.gz KPAMBEJQSTXPPA-CQSZACIVSA-N 1 2 316.298 2.833 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000595787006 399085517 /nfs/dbraw/zinc/08/55/17/399085517.db2.gz RZEBJPCLLSPOAT-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000595787006 399085521 /nfs/dbraw/zinc/08/55/21/399085521.db2.gz RZEBJPCLLSPOAT-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C=C(C)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060783729 335001759 /nfs/dbraw/zinc/00/17/59/335001759.db2.gz NFRXXQWCLRQRSK-UHFFFAOYSA-N 1 2 314.345 2.819 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834592 399105634 /nfs/dbraw/zinc/10/56/34/399105634.db2.gz MWWYCQJKYRMFPO-AHIWAGSCSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834592 399105638 /nfs/dbraw/zinc/10/56/38/399105638.db2.gz MWWYCQJKYRMFPO-AHIWAGSCSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840933 399107550 /nfs/dbraw/zinc/10/75/50/399107550.db2.gz RKDMWZOUEYCTIB-SPYBWZPUSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840933 399107556 /nfs/dbraw/zinc/10/75/56/399107556.db2.gz RKDMWZOUEYCTIB-SPYBWZPUSA-N 1 2 311.429 2.978 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841173 399109050 /nfs/dbraw/zinc/10/90/50/399109050.db2.gz RYVCTUSNMLPCNZ-YOEHRIQHSA-N 1 2 317.458 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841173 399109051 /nfs/dbraw/zinc/10/90/51/399109051.db2.gz RYVCTUSNMLPCNZ-YOEHRIQHSA-N 1 2 317.458 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841172 399109424 /nfs/dbraw/zinc/10/94/24/399109424.db2.gz RYVCTUSNMLPCNZ-WMLDXEAASA-N 1 2 317.458 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841172 399109430 /nfs/dbraw/zinc/10/94/30/399109430.db2.gz RYVCTUSNMLPCNZ-WMLDXEAASA-N 1 2 317.458 2.887 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599948725 399116299 /nfs/dbraw/zinc/11/62/99/399116299.db2.gz SDNMAFDKSCQGJC-SJORKVTESA-N 1 2 322.412 2.697 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCCn1c(CC)[nH+]c2ccccc21 ZINC000606851145 399116483 /nfs/dbraw/zinc/11/64/83/399116483.db2.gz ZSLKUUWXFHLEFB-CQSZACIVSA-N 1 2 315.417 2.696 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)CC2=CCSC2)c(C#N)c1C ZINC000595889620 399123768 /nfs/dbraw/zinc/12/37/68/399123768.db2.gz UMLOFUWFTNLKSS-UHFFFAOYSA-N 1 2 321.471 2.780 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)CC2=CCSC2)c(C#N)c1C ZINC000595889620 399123772 /nfs/dbraw/zinc/12/37/72/399123772.db2.gz UMLOFUWFTNLKSS-UHFFFAOYSA-N 1 2 321.471 2.780 20 30 DFEDLO C#CC[NH+](CC#C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000093461388 193255180 /nfs/dbraw/zinc/25/51/80/193255180.db2.gz RCXVUFSLSDEESO-UHFFFAOYSA-N 1 2 320.392 2.738 20 30 DFEDLO C[C@@H](N1CC[NH+](Cc2cc(C#N)cs2)CC1)C(F)(F)F ZINC000093883681 193322926 /nfs/dbraw/zinc/32/29/26/193322926.db2.gz KVDQTUVFFPGPRK-SNVBAGLBSA-N 1 2 303.353 2.688 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000060481888 399133344 /nfs/dbraw/zinc/13/33/44/399133344.db2.gz VFDALUORMUPCMK-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600746484 399134080 /nfs/dbraw/zinc/13/40/80/399134080.db2.gz UODPANVYQZZJTL-CYBMUJFWSA-N 1 2 312.360 2.569 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCSCC1 ZINC000264096288 203713525 /nfs/dbraw/zinc/71/35/25/203713525.db2.gz CKQSXNKUYUVRBT-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC3(C#N)CCC3)C2)s1 ZINC000595915214 399135012 /nfs/dbraw/zinc/13/50/12/399135012.db2.gz XSNYMBHKVNXGQM-GFCCVEGCSA-N 1 2 319.430 2.803 20 30 DFEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC3(C#N)CCC3)C2)s1 ZINC000595915214 399135015 /nfs/dbraw/zinc/13/50/15/399135015.db2.gz XSNYMBHKVNXGQM-GFCCVEGCSA-N 1 2 319.430 2.803 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000600108201 399137253 /nfs/dbraw/zinc/13/72/53/399137253.db2.gz PTWOEYDLGUHWTH-UHFFFAOYSA-N 1 2 322.412 2.741 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000600108201 399137255 /nfs/dbraw/zinc/13/72/55/399137255.db2.gz PTWOEYDLGUHWTH-UHFFFAOYSA-N 1 2 322.412 2.741 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000614060977 399143822 /nfs/dbraw/zinc/14/38/22/399143822.db2.gz OOAVQSCZXVZJAM-PWSUYJOCSA-N 1 2 311.307 2.702 20 30 DFEDLO C[C@H](C#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000182757841 399148765 /nfs/dbraw/zinc/14/87/65/399148765.db2.gz OLEGSFXRDHUBQL-XOKHGSTOSA-N 1 2 323.400 2.571 20 30 DFEDLO C=CCCC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000183444672 399153954 /nfs/dbraw/zinc/15/39/54/399153954.db2.gz UYTXHZCVEDSWTL-LBPRGKRZSA-N 1 2 309.377 2.762 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185200271 399158624 /nfs/dbraw/zinc/15/86/24/399158624.db2.gz BZPVMIMPBWFTBX-QWHCGFSZSA-N 1 2 320.437 2.607 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000600840796 399158923 /nfs/dbraw/zinc/15/89/23/399158923.db2.gz ZHWHOGYOOSZYGZ-CRAIPNDOSA-N 1 2 322.412 2.625 20 30 DFEDLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000618568132 399162561 /nfs/dbraw/zinc/16/25/61/399162561.db2.gz SMWPJDFFEPXVLZ-JTQLQIEISA-N 1 2 302.305 2.928 20 30 DFEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000614160435 399166071 /nfs/dbraw/zinc/16/60/71/399166071.db2.gz WUSLIFOMVDEQAN-UHFFFAOYSA-N 1 2 311.429 2.542 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168170 399167611 /nfs/dbraw/zinc/16/76/11/399167611.db2.gz WDFAIHWAONLUDV-LKBUQDJMSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168170 399167616 /nfs/dbraw/zinc/16/76/16/399167616.db2.gz WDFAIHWAONLUDV-LKBUQDJMSA-N 1 2 304.459 2.829 20 30 DFEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171569 399169235 /nfs/dbraw/zinc/16/92/35/399169235.db2.gz RMVGSNPVNWQMCM-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171569 399169237 /nfs/dbraw/zinc/16/92/37/399169237.db2.gz RMVGSNPVNWQMCM-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300928 399184904 /nfs/dbraw/zinc/18/49/04/399184904.db2.gz XKUSQGCQGMCLIP-UHFFFAOYSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300928 399184909 /nfs/dbraw/zinc/18/49/09/399184909.db2.gz XKUSQGCQGMCLIP-UHFFFAOYSA-N 1 2 311.429 2.805 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300748 399185297 /nfs/dbraw/zinc/18/52/97/399185297.db2.gz FEWFJWKTPADYET-UHFFFAOYSA-N 1 2 309.413 2.747 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300748 399185302 /nfs/dbraw/zinc/18/53/02/399185302.db2.gz FEWFJWKTPADYET-UHFFFAOYSA-N 1 2 309.413 2.747 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600961536 399188339 /nfs/dbraw/zinc/18/83/39/399188339.db2.gz SGXHJABKDXZMKV-UHFFFAOYSA-N 1 2 308.385 2.545 20 30 DFEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(O)c1 ZINC000080925268 399190865 /nfs/dbraw/zinc/19/08/65/399190865.db2.gz BKINKGZWJAOZSD-UHFFFAOYSA-N 1 2 320.352 2.946 20 30 DFEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(O)c1 ZINC000080925268 399190867 /nfs/dbraw/zinc/19/08/67/399190867.db2.gz BKINKGZWJAOZSD-UHFFFAOYSA-N 1 2 320.352 2.946 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1 ZINC000614297030 399199768 /nfs/dbraw/zinc/19/97/68/399199768.db2.gz KGKSNPKNMZWJQC-UHFFFAOYSA-N 1 2 318.336 2.917 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000016591459 182050944 /nfs/dbraw/zinc/05/09/44/182050944.db2.gz ZPHFVDSTQZJWHG-GFCCVEGCSA-N 1 2 311.307 2.771 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000016591459 182050946 /nfs/dbraw/zinc/05/09/46/182050946.db2.gz ZPHFVDSTQZJWHG-GFCCVEGCSA-N 1 2 311.307 2.771 20 30 DFEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000267350436 206002957 /nfs/dbraw/zinc/00/29/57/206002957.db2.gz GILVSKMGKAQRJT-HNNXBMFYSA-N 1 2 314.414 2.500 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000192230763 335023980 /nfs/dbraw/zinc/02/39/80/335023980.db2.gz TYNACFWREXQBNY-UHFFFAOYSA-N 1 2 304.699 2.862 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000192230763 335023981 /nfs/dbraw/zinc/02/39/81/335023981.db2.gz TYNACFWREXQBNY-UHFFFAOYSA-N 1 2 304.699 2.862 20 30 DFEDLO CCc1cc2c(C[N@H+](C)C[C@H](C)C#N)cc(=O)oc2cc1O ZINC000064797015 399232857 /nfs/dbraw/zinc/23/28/57/399232857.db2.gz VUEYMQLKIPTZQC-LLVKDONJSA-N 1 2 300.358 2.652 20 30 DFEDLO CCc1cc2c(C[N@@H+](C)C[C@H](C)C#N)cc(=O)oc2cc1O ZINC000064797015 399232860 /nfs/dbraw/zinc/23/28/60/399232860.db2.gz VUEYMQLKIPTZQC-LLVKDONJSA-N 1 2 300.358 2.652 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cn1 ZINC000267443766 206071060 /nfs/dbraw/zinc/07/10/60/206071060.db2.gz ZFWWSXVBNQYDFT-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=CCOc1ccc(CNc2ncnc3c2C[N@H+](C)CC3)cc1 ZINC000286343031 335033269 /nfs/dbraw/zinc/03/32/69/335033269.db2.gz CGTDIPLLZQBRJN-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C=CCOc1ccc(CNc2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC000286343031 335033271 /nfs/dbraw/zinc/03/32/71/335033271.db2.gz CGTDIPLLZQBRJN-UHFFFAOYSA-N 1 2 310.401 2.641 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220732 399257341 /nfs/dbraw/zinc/25/73/41/399257341.db2.gz ACIIWZZFPMXXGL-GXFFZTMASA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220732 399257345 /nfs/dbraw/zinc/25/73/45/399257345.db2.gz ACIIWZZFPMXXGL-GXFFZTMASA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000267960066 206360649 /nfs/dbraw/zinc/36/06/49/206360649.db2.gz WRGWIDBRXSDPNY-AWEZNQCLSA-N 1 2 323.396 2.993 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000267960066 206360653 /nfs/dbraw/zinc/36/06/53/206360653.db2.gz WRGWIDBRXSDPNY-AWEZNQCLSA-N 1 2 323.396 2.993 20 30 DFEDLO CC[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1[nH]cc[nH+]1 ZINC000614923142 399281941 /nfs/dbraw/zinc/28/19/41/399281941.db2.gz IZQCBDNXNYXVAI-ZDUSSCGKSA-N 1 2 307.357 2.769 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000614963246 399286194 /nfs/dbraw/zinc/28/61/94/399286194.db2.gz WSWYTIJLVCNSNF-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000614963246 399286195 /nfs/dbraw/zinc/28/61/95/399286195.db2.gz WSWYTIJLVCNSNF-ZDUSSCGKSA-N 1 2 307.401 2.534 20 30 DFEDLO N#CCC1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601422274 399287970 /nfs/dbraw/zinc/28/79/70/399287970.db2.gz SKCPCYYDHVZVOP-UHFFFAOYSA-N 1 2 308.385 2.567 20 30 DFEDLO C[C@@H](C#N)CN(C)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000608784569 399295101 /nfs/dbraw/zinc/29/51/01/399295101.db2.gz HTTQHXVDNCCIMI-JTQLQIEISA-N 1 2 307.195 2.688 20 30 DFEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(F)c1 ZINC000615092146 399300694 /nfs/dbraw/zinc/30/06/94/399300694.db2.gz CDJHDOMFIPDYMO-INIZCTEOSA-N 1 2 303.312 2.709 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000609139378 399305337 /nfs/dbraw/zinc/30/53/37/399305337.db2.gz SLJOXDNKXVUIFQ-WMLDXEAASA-N 1 2 323.400 2.862 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601667190 399317513 /nfs/dbraw/zinc/31/75/13/399317513.db2.gz SSZPYTMOSOSADO-INIZCTEOSA-N 1 2 308.385 2.567 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609552808 399322833 /nfs/dbraw/zinc/32/28/33/399322833.db2.gz ARDXECGMKXTRIR-HNNXBMFYSA-N 1 2 309.373 2.932 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000609625859 399327086 /nfs/dbraw/zinc/32/70/86/399327086.db2.gz LJCOKWOGHQZFMR-SFHVURJKSA-N 1 2 323.444 2.674 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H]1c1ccccc1 ZINC000609585641 399325298 /nfs/dbraw/zinc/32/52/98/399325298.db2.gz MOCQKXQIVOBQRN-OAHLLOKOSA-N 1 2 304.357 2.691 20 30 DFEDLO C=CCCCC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286916523 335037778 /nfs/dbraw/zinc/03/77/78/335037778.db2.gz PVONGQFBNLMIMX-MRXNPFEDSA-N 1 2 305.422 2.843 20 30 DFEDLO CC[C@H](c1ccncc1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609964313 399337185 /nfs/dbraw/zinc/33/71/85/399337185.db2.gz PUKHYYALXYWNPS-OAHLLOKOSA-N 1 2 321.388 2.722 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000287296278 335042611 /nfs/dbraw/zinc/04/26/11/335042611.db2.gz IVCUTILFEHNMED-GOSISDBHSA-N 1 2 324.428 2.549 20 30 DFEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000104691006 194028217 /nfs/dbraw/zinc/02/82/17/194028217.db2.gz YPVXLJHMCDDPQU-CQSZACIVSA-N 1 2 305.381 2.546 20 30 DFEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000104691006 194028218 /nfs/dbraw/zinc/02/82/18/194028218.db2.gz YPVXLJHMCDDPQU-CQSZACIVSA-N 1 2 305.381 2.546 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000619434409 399345640 /nfs/dbraw/zinc/34/56/40/399345640.db2.gz YUUUTRYASUIUFI-UHFFFAOYSA-N 1 2 321.380 2.786 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]1c1ccccc1 ZINC000610283158 399353519 /nfs/dbraw/zinc/35/35/19/399353519.db2.gz LQECCVKBMWFYHZ-CZUORRHYSA-N 1 2 318.384 2.937 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OC)c1 ZINC000601942421 399364740 /nfs/dbraw/zinc/36/47/40/399364740.db2.gz RMQOPXUIXDJFSL-OAHLLOKOSA-N 1 2 304.390 2.829 20 30 DFEDLO CCO[C@@H](CCNc1[nH+]cnc2c1cnn2CCC#N)C(C)C ZINC000610431572 399367297 /nfs/dbraw/zinc/36/72/97/399367297.db2.gz OFXCJHVMZGHSKJ-AWEZNQCLSA-N 1 2 316.409 2.603 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601952740 399367840 /nfs/dbraw/zinc/36/78/40/399367840.db2.gz HFQTUNXSGHULBK-AWEZNQCLSA-N 1 2 313.401 2.670 20 30 DFEDLO C=C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)OC ZINC000619702035 399380151 /nfs/dbraw/zinc/38/01/51/399380151.db2.gz DGYGEZJQSVXVTO-YESZJQIVSA-N 1 2 303.402 2.780 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000619717072 399381483 /nfs/dbraw/zinc/38/14/83/399381483.db2.gz RAOMGYHDCUAEDP-ZACQAIPSSA-N 1 2 303.402 2.814 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000619717072 399381485 /nfs/dbraw/zinc/38/14/85/399381485.db2.gz RAOMGYHDCUAEDP-ZACQAIPSSA-N 1 2 303.402 2.814 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000602009827 399382985 /nfs/dbraw/zinc/38/29/85/399382985.db2.gz XOXSBWBYZTZXRB-GOSISDBHSA-N 1 2 323.371 2.588 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)cs1 ZINC000610620854 399387044 /nfs/dbraw/zinc/38/70/44/399387044.db2.gz JTMPRTKJCODCRC-UHFFFAOYSA-N 1 2 324.409 2.962 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000602075958 399391438 /nfs/dbraw/zinc/39/14/38/399391438.db2.gz QBGNOXFXNYNAGN-HUUCEWRRSA-N 1 2 310.357 2.834 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000602075958 399391441 /nfs/dbraw/zinc/39/14/41/399391441.db2.gz QBGNOXFXNYNAGN-HUUCEWRRSA-N 1 2 310.357 2.834 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619790275 399392362 /nfs/dbraw/zinc/39/23/62/399392362.db2.gz NDRDJYMRGQTVTA-UHFFFAOYSA-N 1 2 300.749 2.659 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602084182 399393165 /nfs/dbraw/zinc/39/31/65/399393165.db2.gz DSKIZYMXGMABLU-HZPDHXFCSA-N 1 2 308.385 2.822 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602084182 399393168 /nfs/dbraw/zinc/39/31/68/399393168.db2.gz DSKIZYMXGMABLU-HZPDHXFCSA-N 1 2 308.385 2.822 20 30 DFEDLO N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000602099230 399394019 /nfs/dbraw/zinc/39/40/19/399394019.db2.gz WMBPCXHLTKLMQM-JHJVBQTASA-N 1 2 300.749 2.548 20 30 DFEDLO N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000602099230 399394023 /nfs/dbraw/zinc/39/40/23/399394023.db2.gz WMBPCXHLTKLMQM-JHJVBQTASA-N 1 2 300.749 2.548 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602136166 399400139 /nfs/dbraw/zinc/40/01/39/399400139.db2.gz QPDCEOGZSZVRBI-DGCLKSJQSA-N 1 2 314.311 2.529 20 30 DFEDLO CC(C)C[C@@H](C(=O)NCc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000602167570 399404116 /nfs/dbraw/zinc/40/41/16/399404116.db2.gz SRTDVPVVBLRXHO-KRWDZBQOSA-N 1 2 310.401 2.853 20 30 DFEDLO CC(C)C[C@@H](C(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000602177651 399405616 /nfs/dbraw/zinc/40/56/16/399405616.db2.gz HTNGUIVGJRCPGD-KRWDZBQOSA-N 1 2 310.401 2.701 20 30 DFEDLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602197682 399408755 /nfs/dbraw/zinc/40/87/55/399408755.db2.gz WULQIIUQKFSRTF-UTUOFQBUSA-N 1 2 314.311 2.527 20 30 DFEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610994031 399425680 /nfs/dbraw/zinc/42/56/80/399425680.db2.gz JZKQZPPQRGXGEP-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610994031 399425684 /nfs/dbraw/zinc/42/56/84/399425684.db2.gz JZKQZPPQRGXGEP-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000611121586 399435945 /nfs/dbraw/zinc/43/59/45/399435945.db2.gz XTRYYPQDMWISJP-XJKSGUPXSA-N 1 2 323.400 2.552 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3ccsc3)CC2)c1C#N ZINC000286060924 218770044 /nfs/dbraw/zinc/77/00/44/218770044.db2.gz IISUBRQYAZQRSI-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602435744 399443043 /nfs/dbraw/zinc/44/30/43/399443043.db2.gz TVOSRUNXRZHZFI-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602435744 399443048 /nfs/dbraw/zinc/44/30/48/399443048.db2.gz TVOSRUNXRZHZFI-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO N#CCCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000611175059 399441426 /nfs/dbraw/zinc/44/14/26/399441426.db2.gz RYHIWEQSVCMCON-UHFFFAOYSA-N 1 2 314.820 2.919 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000611174844 399441621 /nfs/dbraw/zinc/44/16/21/399441621.db2.gz RDIPSNUEQMVTBN-UHFFFAOYSA-N 1 2 312.442 2.841 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ccc(C#N)nn1 ZINC000611242537 399450031 /nfs/dbraw/zinc/45/00/31/399450031.db2.gz QNHVJNSHWYYUSE-OAHLLOKOSA-N 1 2 318.384 2.675 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCOC[C@H]2C)c1C#N ZINC000611348449 399464685 /nfs/dbraw/zinc/46/46/85/399464685.db2.gz WDVJKSPOLHRHFQ-CQSZACIVSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCOC[C@H]2C)c1C#N ZINC000611348449 399464688 /nfs/dbraw/zinc/46/46/88/399464688.db2.gz WDVJKSPOLHRHFQ-CQSZACIVSA-N 1 2 310.401 2.663 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000287363650 335045526 /nfs/dbraw/zinc/04/55/26/335045526.db2.gz IGDQITXHEFEHTQ-DZGCQCFKSA-N 1 2 320.437 2.635 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000611478285 399480267 /nfs/dbraw/zinc/48/02/67/399480267.db2.gz FETJZFGXGULCEN-KRWDZBQOSA-N 1 2 320.396 2.916 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1F ZINC000611502543 399483967 /nfs/dbraw/zinc/48/39/67/399483967.db2.gz VEYXHMZPILTRJU-RISCZKNCSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1F ZINC000611502543 399483969 /nfs/dbraw/zinc/48/39/69/399483969.db2.gz VEYXHMZPILTRJU-RISCZKNCSA-N 1 2 300.337 2.788 20 30 DFEDLO COc1nsc(C[NH2+]CC(C)(C)C#N)c1Br ZINC000602608291 399489559 /nfs/dbraw/zinc/48/95/59/399489559.db2.gz SVARLFDXIVUOMM-UHFFFAOYSA-N 1 2 304.213 2.554 20 30 DFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC=CCC1 ZINC000611517126 399486284 /nfs/dbraw/zinc/48/62/84/399486284.db2.gz ASULQTXTOYFKPE-HNNXBMFYSA-N 1 2 313.401 2.592 20 30 DFEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC=CCC1 ZINC000611517126 399486285 /nfs/dbraw/zinc/48/62/85/399486285.db2.gz ASULQTXTOYFKPE-HNNXBMFYSA-N 1 2 313.401 2.592 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C2 ZINC000611567567 399492554 /nfs/dbraw/zinc/49/25/54/399492554.db2.gz DAZDLTSDOZYFJD-ZDUSSCGKSA-N 1 2 302.422 2.611 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000611567567 399492555 /nfs/dbraw/zinc/49/25/55/399492555.db2.gz DAZDLTSDOZYFJD-ZDUSSCGKSA-N 1 2 302.422 2.611 20 30 DFEDLO COC(=O)[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OC)cc1 ZINC000602621868 399493304 /nfs/dbraw/zinc/49/33/04/399493304.db2.gz DVAYEPULQMEPRL-LDZOIKDWSA-N 1 2 302.374 2.581 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578418 399496779 /nfs/dbraw/zinc/49/67/79/399496779.db2.gz CWAFMQBVNKPCSJ-DGCLKSJQSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578418 399496780 /nfs/dbraw/zinc/49/67/80/399496780.db2.gz CWAFMQBVNKPCSJ-DGCLKSJQSA-N 1 2 323.343 2.589 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602649697 399501976 /nfs/dbraw/zinc/50/19/76/399501976.db2.gz YWIHNYUFQXSSKE-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602649697 399501979 /nfs/dbraw/zinc/50/19/79/399501979.db2.gz YWIHNYUFQXSSKE-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602657985 399505827 /nfs/dbraw/zinc/50/58/27/399505827.db2.gz GNFRLBGQSARNRD-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602657985 399505831 /nfs/dbraw/zinc/50/58/31/399505831.db2.gz GNFRLBGQSARNRD-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602657986 399505624 /nfs/dbraw/zinc/50/56/24/399505624.db2.gz GNFRLBGQSARNRD-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602657986 399505630 /nfs/dbraw/zinc/50/56/30/399505630.db2.gz GNFRLBGQSARNRD-OAHLLOKOSA-N 1 2 322.412 2.605 20 30 DFEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C ZINC000602673795 399514643 /nfs/dbraw/zinc/51/46/43/399514643.db2.gz RGMISZIMJNBEBH-WBVHZDCISA-N 1 2 323.396 2.551 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C ZINC000602673795 399514647 /nfs/dbraw/zinc/51/46/47/399514647.db2.gz RGMISZIMJNBEBH-WBVHZDCISA-N 1 2 323.396 2.551 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623993253 399516067 /nfs/dbraw/zinc/51/60/67/399516067.db2.gz MPCQDWCYTUMYTE-QGZVFWFLSA-N 1 2 309.413 2.969 20 30 DFEDLO CC1(O)C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000602688030 399520320 /nfs/dbraw/zinc/52/03/20/399520320.db2.gz HKRPIEOJIVRKAV-UHFFFAOYSA-N 1 2 308.381 2.704 20 30 DFEDLO Cc1cccc([C@H](CNc2cnccc2C#N)[NH+]2CCOCC2)c1 ZINC000270002839 208055501 /nfs/dbraw/zinc/05/55/01/208055501.db2.gz YNZVUPIJAGCQFH-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cn2ccc(C)cc2[nH+]1)OCC ZINC000270130356 208190417 /nfs/dbraw/zinc/19/04/17/208190417.db2.gz XPYBEEOBLOYJQP-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)n1 ZINC000602719777 399537949 /nfs/dbraw/zinc/53/79/49/399537949.db2.gz SVQVWEQRZLJXLF-QGZVFWFLSA-N 1 2 309.369 2.900 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)n1 ZINC000602719777 399537951 /nfs/dbraw/zinc/53/79/51/399537951.db2.gz SVQVWEQRZLJXLF-QGZVFWFLSA-N 1 2 309.369 2.900 20 30 DFEDLO CCOC(=O)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000602732130 399545638 /nfs/dbraw/zinc/54/56/38/399545638.db2.gz ZECFWDZESWVHEC-UHFFFAOYSA-N 1 2 323.396 2.816 20 30 DFEDLO CCOC(=O)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000602732130 399545645 /nfs/dbraw/zinc/54/56/45/399545645.db2.gz ZECFWDZESWVHEC-UHFFFAOYSA-N 1 2 323.396 2.816 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(Cc3nccs3)CC2)n1 ZINC000602731895 399545855 /nfs/dbraw/zinc/54/58/55/399545855.db2.gz CRHFKZOPQVLCDI-UHFFFAOYSA-N 1 2 304.444 2.926 20 30 DFEDLO Cc1cc(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)ccc1C#N ZINC000602741739 399551553 /nfs/dbraw/zinc/55/15/53/399551553.db2.gz UMXVTIFQCMCGMC-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO Cc1cc(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)ccc1C#N ZINC000602741739 399551558 /nfs/dbraw/zinc/55/15/58/399551558.db2.gz UMXVTIFQCMCGMC-UHFFFAOYSA-N 1 2 321.428 2.988 20 30 DFEDLO CCCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC ZINC000602751678 399556143 /nfs/dbraw/zinc/55/61/43/399556143.db2.gz QWRXREJOUIHVKC-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000602749083 399554663 /nfs/dbraw/zinc/55/46/63/399554663.db2.gz JTIQAAJYHRRPCN-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000602749083 399554668 /nfs/dbraw/zinc/55/46/68/399554668.db2.gz JTIQAAJYHRRPCN-UHFFFAOYSA-N 1 2 313.426 2.643 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286504609 219024468 /nfs/dbraw/zinc/02/44/68/219024468.db2.gz WHJJYMFFRSBHIQ-CQSZACIVSA-N 1 2 324.359 2.866 20 30 DFEDLO Cc1noc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000158605858 197287918 /nfs/dbraw/zinc/28/79/18/197287918.db2.gz KEMAOIICMFHLMF-UHFFFAOYSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C#N)c1C ZINC000157684815 197208121 /nfs/dbraw/zinc/20/81/21/197208121.db2.gz ZWTGZFIACJNWFG-HNNXBMFYSA-N 1 2 312.373 2.872 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C#N)c1C ZINC000157684815 197208123 /nfs/dbraw/zinc/20/81/23/197208123.db2.gz ZWTGZFIACJNWFG-HNNXBMFYSA-N 1 2 312.373 2.872 20 30 DFEDLO C=CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000156582742 197125751 /nfs/dbraw/zinc/12/57/51/197125751.db2.gz DLBCCDOOKVXHBA-GJZGRUSLSA-N 1 2 317.433 2.946 20 30 DFEDLO C[C@H]1C[NH+](Cc2ncccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849043 399600180 /nfs/dbraw/zinc/60/01/80/399600180.db2.gz JKLSHVHPHVAYAT-RYUDHWBXSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@H]1C[NH+](Cc2cccnc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849464 399600754 /nfs/dbraw/zinc/60/07/54/399600754.db2.gz LKKXTKHQRIGPCI-RYUDHWBXSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602851687 399602179 /nfs/dbraw/zinc/60/21/79/399602179.db2.gz WTMZPSPNWIUHBD-TXEJJXNPSA-N 1 2 322.796 2.666 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1CC#N ZINC000602851687 399602184 /nfs/dbraw/zinc/60/21/84/399602184.db2.gz WTMZPSPNWIUHBD-TXEJJXNPSA-N 1 2 322.796 2.666 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1CC#N ZINC000602853039 399603940 /nfs/dbraw/zinc/60/39/40/399603940.db2.gz GBAVGGFYTDGUOK-TXEJJXNPSA-N 1 2 322.796 2.666 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1CC#N ZINC000602853039 399603942 /nfs/dbraw/zinc/60/39/42/399603942.db2.gz GBAVGGFYTDGUOK-TXEJJXNPSA-N 1 2 322.796 2.666 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612251049 399609756 /nfs/dbraw/zinc/60/97/56/399609756.db2.gz LZAAJBILWZJEBS-SFHVURJKSA-N 1 2 310.401 2.751 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000602869437 399609757 /nfs/dbraw/zinc/60/97/57/399609757.db2.gz NXKNSUGJAIULOT-LLVKDONJSA-N 1 2 316.430 2.719 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602901999 399621252 /nfs/dbraw/zinc/62/12/52/399621252.db2.gz UHNZFYWFCUPEHW-LBPRGKRZSA-N 1 2 310.405 2.622 20 30 DFEDLO CC(C)c1nnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602903111 399621372 /nfs/dbraw/zinc/62/13/72/399621372.db2.gz ZXUOHFYRTWRCAX-UHFFFAOYSA-N 1 2 324.432 2.876 20 30 DFEDLO N#Cc1cnccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923225 399627810 /nfs/dbraw/zinc/62/78/10/399627810.db2.gz AZRMAVJEWCXMMA-MRXNPFEDSA-N 1 2 319.767 2.959 20 30 DFEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000602942279 399633653 /nfs/dbraw/zinc/63/36/53/399633653.db2.gz NDOVGFGBPFATIM-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000602942279 399633656 /nfs/dbraw/zinc/63/36/56/399633656.db2.gz NDOVGFGBPFATIM-UHFFFAOYSA-N 1 2 319.206 2.984 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289825426 221250471 /nfs/dbraw/zinc/25/04/71/221250471.db2.gz JKEMFCSHUCRYPZ-HNNXBMFYSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289825426 221250474 /nfs/dbraw/zinc/25/04/74/221250474.db2.gz JKEMFCSHUCRYPZ-HNNXBMFYSA-N 1 2 304.756 2.994 20 30 DFEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000289896530 221299021 /nfs/dbraw/zinc/29/90/21/221299021.db2.gz SFGBUZTWVSIALJ-CXAGYDPISA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000289896530 221299023 /nfs/dbraw/zinc/29/90/23/221299023.db2.gz SFGBUZTWVSIALJ-CXAGYDPISA-N 1 2 319.836 2.507 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000603069304 399670954 /nfs/dbraw/zinc/67/09/54/399670954.db2.gz AGYFOCAPJSAOLK-GFCCVEGCSA-N 1 2 313.336 2.832 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978607 399646926 /nfs/dbraw/zinc/64/69/26/399646926.db2.gz SZUJNUYVSQUYMG-CGTJXYLNSA-N 1 2 313.445 2.666 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978607 399646933 /nfs/dbraw/zinc/64/69/33/399646933.db2.gz SZUJNUYVSQUYMG-CGTJXYLNSA-N 1 2 313.445 2.666 20 30 DFEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602978778 399647078 /nfs/dbraw/zinc/64/70/78/399647078.db2.gz WJDBZRDRSQKRNL-NVXWUHKLSA-N 1 2 311.429 2.806 20 30 DFEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602978778 399647083 /nfs/dbraw/zinc/64/70/83/399647083.db2.gz WJDBZRDRSQKRNL-NVXWUHKLSA-N 1 2 311.429 2.806 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)C2 ZINC000328616436 257263983 /nfs/dbraw/zinc/26/39/83/257263983.db2.gz BRUKSSXMNJSWHD-RWMBFGLXSA-N 1 2 303.406 2.532 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)CC2 ZINC000328616436 257263984 /nfs/dbraw/zinc/26/39/84/257263984.db2.gz BRUKSSXMNJSWHD-RWMBFGLXSA-N 1 2 303.406 2.532 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485675 399716198 /nfs/dbraw/zinc/71/61/98/399716198.db2.gz RODIUYSUTAVCAA-GOSISDBHSA-N 1 2 317.433 2.527 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCC[C@H]1CCCCO1 ZINC000612798984 399726472 /nfs/dbraw/zinc/72/64/72/399726472.db2.gz SBGZNNJZVJCAGE-CYBMUJFWSA-N 1 2 314.393 2.501 20 30 DFEDLO C=CCCC[C@@H](C)n1cc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)nn1 ZINC000603266329 399726766 /nfs/dbraw/zinc/72/67/66/399726766.db2.gz YEENXUHWXOHCNN-HUUCEWRRSA-N 1 2 320.437 2.580 20 30 DFEDLO C=CCCC[C@@H](C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)nn1 ZINC000603266329 399726768 /nfs/dbraw/zinc/72/67/68/399726768.db2.gz YEENXUHWXOHCNN-HUUCEWRRSA-N 1 2 320.437 2.580 20 30 DFEDLO COCc1cc(C#N)ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000603313537 399741462 /nfs/dbraw/zinc/74/14/62/399741462.db2.gz VIXMIWIKTFEGQG-KDOFPFPSSA-N 1 2 310.401 2.989 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000128000367 195928595 /nfs/dbraw/zinc/92/85/95/195928595.db2.gz KWUBFQTUNWIFHL-PBHICJAKSA-N 1 2 308.385 2.979 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000632866199 399771434 /nfs/dbraw/zinc/77/14/34/399771434.db2.gz QGZSIILZTLBLRU-UHFFFAOYSA-N 1 2 304.438 2.939 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052164118 425884205 /nfs/dbraw/zinc/88/42/05/425884205.db2.gz MTABPHGGQAPAJZ-SFHVURJKSA-N 1 2 317.433 2.572 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052164118 425884204 /nfs/dbraw/zinc/88/42/04/425884204.db2.gz MTABPHGGQAPAJZ-SFHVURJKSA-N 1 2 317.433 2.572 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2c[nH+]c3ccccn23)cc1 ZINC000195127229 542863969 /nfs/dbraw/zinc/86/39/69/542863969.db2.gz SPHNONNQEFUMNR-UHFFFAOYSA-N 1 2 306.369 2.862 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000184367377 335069620 /nfs/dbraw/zinc/06/96/20/335069620.db2.gz SOLSKXRQBDXCTH-CYBMUJFWSA-N 1 2 305.422 2.538 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626391656 399843159 /nfs/dbraw/zinc/84/31/59/399843159.db2.gz GHTQWLKYPSRIDC-HNNXBMFYSA-N 1 2 313.401 2.604 20 30 DFEDLO O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328896888 543097950 /nfs/dbraw/zinc/09/79/50/543097950.db2.gz CHTSAXAIIIDMBD-LSDHHAIUSA-N 1 2 310.401 2.681 20 30 DFEDLO C[C@H](CNC(=O)Nc1cccc2ccsc21)[NH+]1CCOCC1 ZINC000328837163 543098188 /nfs/dbraw/zinc/09/81/88/543098188.db2.gz SUYLDSJTNATWSW-GFCCVEGCSA-N 1 2 319.430 2.948 20 30 DFEDLO COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328941557 543098838 /nfs/dbraw/zinc/09/88/38/543098838.db2.gz SYJHRCUCKIAUKI-ZDUSSCGKSA-N 1 2 314.389 2.623 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCNC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000329229311 543101721 /nfs/dbraw/zinc/10/17/21/543101721.db2.gz JFSAICYMOFMKMX-IUODEOHRSA-N 1 2 301.390 2.509 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCNC1=O)[N@H+]1CCc2ccccc2C1 ZINC000329229311 543101723 /nfs/dbraw/zinc/10/17/23/543101723.db2.gz JFSAICYMOFMKMX-IUODEOHRSA-N 1 2 301.390 2.509 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCC1CCC1)C2 ZINC000329274568 543101823 /nfs/dbraw/zinc/10/18/23/543101823.db2.gz KNJUHWMUPKLDIG-CYBMUJFWSA-N 1 2 304.438 2.799 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]CC1CCC1)C2 ZINC000329274568 543101824 /nfs/dbraw/zinc/10/18/24/543101824.db2.gz KNJUHWMUPKLDIG-CYBMUJFWSA-N 1 2 304.438 2.799 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H]1CC1(C)C)C2 ZINC000329277012 543102202 /nfs/dbraw/zinc/10/22/02/543102202.db2.gz KQIAAGPCYJFDQB-LBPRGKRZSA-N 1 2 304.438 2.862 20 30 DFEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329283153 543102333 /nfs/dbraw/zinc/10/23/33/543102333.db2.gz NHNRWTNSQQFUSL-JSGCOSHPSA-N 1 2 318.421 2.999 20 30 DFEDLO COc1ccccc1[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604559139 399856499 /nfs/dbraw/zinc/85/64/99/399856499.db2.gz APOSPBMYIPUYLW-GFCCVEGCSA-N 1 2 322.372 2.922 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2cc(F)ccc21 ZINC000604558447 399856549 /nfs/dbraw/zinc/85/65/49/399856549.db2.gz FAKQMLOQUYXQNN-OAHLLOKOSA-N 1 2 322.347 2.978 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523189 399913748 /nfs/dbraw/zinc/91/37/48/399913748.db2.gz FJSSXBFLIAWUKH-GOSISDBHSA-N 1 2 313.401 2.922 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)n1 ZINC000355454248 147322672 /nfs/dbraw/zinc/32/26/72/147322672.db2.gz JWDCQLRYWAYCMK-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000590961753 543462781 /nfs/dbraw/zinc/46/27/81/543462781.db2.gz QXVJSPWIZAHMHO-JGGQBBKZSA-N 1 2 323.400 2.686 20 30 DFEDLO Cn1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1C#N ZINC000357697081 148089131 /nfs/dbraw/zinc/08/91/31/148089131.db2.gz IBOQXHNYEKIGDB-UHFFFAOYSA-N 1 2 310.279 2.845 20 30 DFEDLO N#Cc1cccc(CNC(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000357891172 148165449 /nfs/dbraw/zinc/16/54/49/148165449.db2.gz QEWILPDNYQKZHX-UHFFFAOYSA-N 1 2 322.393 2.614 20 30 DFEDLO N#Cc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1F ZINC000359530466 148683665 /nfs/dbraw/zinc/68/36/65/148683665.db2.gz MXBWBHGVEDNHMT-OAHLLOKOSA-N 1 2 306.287 2.799 20 30 DFEDLO Cn1cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1C#N ZINC000361566057 149149854 /nfs/dbraw/zinc/14/98/54/149149854.db2.gz PQYRRBFBSWYKCA-UHFFFAOYSA-N 1 2 305.385 2.822 20 30 DFEDLO Cn1cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1C#N ZINC000361566057 149149855 /nfs/dbraw/zinc/14/98/55/149149855.db2.gz PQYRRBFBSWYKCA-UHFFFAOYSA-N 1 2 305.385 2.822 20 30 DFEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCCOC2)O1 ZINC000361610871 149168188 /nfs/dbraw/zinc/16/81/88/149168188.db2.gz ORHOWDZBXOSBKO-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCCOC2)O1 ZINC000361610871 149168192 /nfs/dbraw/zinc/16/81/92/149168192.db2.gz ORHOWDZBXOSBKO-GOSISDBHSA-N 1 2 318.392 2.857 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667252452 543573406 /nfs/dbraw/zinc/57/34/06/543573406.db2.gz HLEXWWGMAXRQPV-ZDUSSCGKSA-N 1 2 302.378 2.514 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H](C)O2 ZINC000373975442 150286052 /nfs/dbraw/zinc/28/60/52/150286052.db2.gz VFWFFGMHMJHALZ-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(C#N)ccc1F)C[C@H](C)O2 ZINC000373975442 150286054 /nfs/dbraw/zinc/28/60/54/150286054.db2.gz VFWFFGMHMJHALZ-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H](C)O2 ZINC000373975445 150286243 /nfs/dbraw/zinc/28/62/43/150286243.db2.gz VFWFFGMHMJHALZ-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(C#N)ccc1F)C[C@H](C)O2 ZINC000373975445 150286245 /nfs/dbraw/zinc/28/62/45/150286245.db2.gz VFWFFGMHMJHALZ-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO Cc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000374137237 150310149 /nfs/dbraw/zinc/31/01/49/150310149.db2.gz SSIXDYBMRYVOQS-UHFFFAOYSA-N 1 2 308.385 2.672 20 30 DFEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nnc1C1CC1 ZINC000374310966 150342878 /nfs/dbraw/zinc/34/28/78/150342878.db2.gz QZPUYNFSMDEIPS-UHFFFAOYSA-N 1 2 319.412 2.853 20 30 DFEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nnc1C1CC1 ZINC000374310966 150342882 /nfs/dbraw/zinc/34/28/82/150342882.db2.gz QZPUYNFSMDEIPS-UHFFFAOYSA-N 1 2 319.412 2.853 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCOc4ccc(F)cc4C3)n2c1 ZINC000376651509 150599724 /nfs/dbraw/zinc/59/97/24/150599724.db2.gz LVDWMTOLPFGRLB-UHFFFAOYSA-N 1 2 322.343 2.740 20 30 DFEDLO COCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000355130445 158280907 /nfs/dbraw/zinc/28/09/07/158280907.db2.gz JOCNSCXUQWFKTR-GOSISDBHSA-N 1 2 312.369 2.871 20 30 DFEDLO COCc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000355130445 158280909 /nfs/dbraw/zinc/28/09/09/158280909.db2.gz JOCNSCXUQWFKTR-GOSISDBHSA-N 1 2 312.369 2.871 20 30 DFEDLO N#Cc1cc(F)c(CNc2[nH]c(C(F)(F)F)c[nH+]2)c(F)c1 ZINC000357703858 158365493 /nfs/dbraw/zinc/36/54/93/158365493.db2.gz DEXBGNZPQPFZCY-UHFFFAOYSA-N 1 2 302.206 2.612 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)s1 ZINC000131003412 196130825 /nfs/dbraw/zinc/13/08/25/196130825.db2.gz MILQQXMQESNNAH-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)s1 ZINC000131003412 196130827 /nfs/dbraw/zinc/13/08/27/196130827.db2.gz MILQQXMQESNNAH-UHFFFAOYSA-N 1 2 321.352 2.968 20 30 DFEDLO C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134079206 196358855 /nfs/dbraw/zinc/35/88/55/196358855.db2.gz HABILQMRXKIXBG-WBMJQRKESA-N 1 2 311.345 2.750 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667956975 543710785 /nfs/dbraw/zinc/71/07/85/543710785.db2.gz VCYFKJLCQBFNBW-UKRRQHHQSA-N 1 2 314.389 2.745 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnn1CC1CC1 ZINC000668145008 543749278 /nfs/dbraw/zinc/74/92/78/543749278.db2.gz AAJOFMKVIAGMDU-UHFFFAOYSA-N 1 2 315.417 2.957 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnn1CC1CC1 ZINC000668145008 543749281 /nfs/dbraw/zinc/74/92/81/543749281.db2.gz AAJOFMKVIAGMDU-UHFFFAOYSA-N 1 2 315.417 2.957 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676113506 544357522 /nfs/dbraw/zinc/35/75/22/544357522.db2.gz KIUSBAKTXXXEHH-INIZCTEOSA-N 1 2 317.433 2.784 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676113506 544357523 /nfs/dbraw/zinc/35/75/23/544357523.db2.gz KIUSBAKTXXXEHH-INIZCTEOSA-N 1 2 317.433 2.784 20 30 DFEDLO CCC#C[C@H](C)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000677047447 544425274 /nfs/dbraw/zinc/42/52/74/544425274.db2.gz BCAVZCDZQDSLJK-INIZCTEOSA-N 1 2 316.445 2.623 20 30 DFEDLO Cc1cc(N2CCC[C@@H](C3(C)OCCO3)C2)c(C#N)c(C)[nH+]1 ZINC000302118057 230102745 /nfs/dbraw/zinc/10/27/45/230102745.db2.gz COGMFMCNRRJXJN-CQSZACIVSA-N 1 2 301.390 2.550 20 30 DFEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(C)c(F)c2)no1 ZINC000067098417 425908561 /nfs/dbraw/zinc/90/85/61/425908561.db2.gz IBZDJTDJFCONOL-UHFFFAOYSA-N 1 2 306.341 2.697 20 30 DFEDLO Cn1c(C[NH2+]Cc2ccc(C#N)o2)nc2cc(Cl)ccc21 ZINC000494471646 269932254 /nfs/dbraw/zinc/93/22/54/269932254.db2.gz XFHZDFLVOXOXIU-UHFFFAOYSA-N 1 2 300.749 2.981 20 30 DFEDLO C=CCCCS(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000292163548 335085939 /nfs/dbraw/zinc/08/59/39/335085939.db2.gz DBDJCZHZPREYEN-AWEZNQCLSA-N 1 2 311.451 2.726 20 30 DFEDLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227763 270000964 /nfs/dbraw/zinc/00/09/64/270000964.db2.gz SICPYMUUUDFMJQ-ZFWWWQNUSA-N 1 2 314.433 2.783 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1C ZINC000533347492 270002868 /nfs/dbraw/zinc/00/28/68/270002868.db2.gz AFWWNBSQIODFBH-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1C ZINC000533347492 270002869 /nfs/dbraw/zinc/00/28/69/270002869.db2.gz AFWWNBSQIODFBH-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCc3sccc3C2)c1C#N ZINC000534487182 270003140 /nfs/dbraw/zinc/00/31/40/270003140.db2.gz JTZRKGBLDGBLOM-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCc3sccc3C2)c1C#N ZINC000534487182 270003141 /nfs/dbraw/zinc/00/31/41/270003141.db2.gz JTZRKGBLDGBLOM-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000534487711 270003168 /nfs/dbraw/zinc/00/31/68/270003168.db2.gz FATHJHHRCNLIBV-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000534487711 270003169 /nfs/dbraw/zinc/00/31/69/270003169.db2.gz FATHJHHRCNLIBV-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO Cc1nnc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000069168906 425932306 /nfs/dbraw/zinc/93/23/06/425932306.db2.gz KZMCIPCLGIZGCG-QGZVFWFLSA-N 1 2 303.369 2.864 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cnccc1C#N)c1ccccc1 ZINC000341099206 266125815 /nfs/dbraw/zinc/12/58/15/266125815.db2.gz JZDDZHSZDFCHDH-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cnccc1C#N)c1ccccc1 ZINC000341099206 266125816 /nfs/dbraw/zinc/12/58/16/266125816.db2.gz JZDDZHSZDFCHDH-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398526820 266381532 /nfs/dbraw/zinc/38/15/32/266381532.db2.gz PNSHXOADDJHUIG-XYPHTWIQSA-N 1 2 315.417 2.775 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398526820 266381538 /nfs/dbraw/zinc/38/15/38/266381538.db2.gz PNSHXOADDJHUIG-XYPHTWIQSA-N 1 2 315.417 2.775 20 30 DFEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@H]1Oc1ccccc1 ZINC000520221345 267149428 /nfs/dbraw/zinc/14/94/28/267149428.db2.gz OFCKKJXKOZOGTL-GUDVDZBRSA-N 1 2 323.396 2.721 20 30 DFEDLO C[C@H](C[NH2+]Cc1nc(C#N)cs1)N(C)Cc1ccccc1 ZINC000352838455 267162205 /nfs/dbraw/zinc/16/22/05/267162205.db2.gz FOGZMLZALCOEPG-CYBMUJFWSA-N 1 2 300.431 2.625 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348250270 267247125 /nfs/dbraw/zinc/24/71/25/267247125.db2.gz SNOVUVRNZVBCLQ-MLGOLLRUSA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)CCO2 ZINC000348250270 267247126 /nfs/dbraw/zinc/24/71/26/267247126.db2.gz SNOVUVRNZVBCLQ-MLGOLLRUSA-N 1 2 306.793 2.591 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000454352567 267259021 /nfs/dbraw/zinc/25/90/21/267259021.db2.gz WHOZNIOEBFJDHO-STQMWFEESA-N 1 2 311.389 2.896 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000178539390 267286556 /nfs/dbraw/zinc/28/65/56/267286556.db2.gz RQLCTZOXTYTIGD-UHFFFAOYSA-N 1 2 309.373 2.649 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000433307135 267300294 /nfs/dbraw/zinc/30/02/94/267300294.db2.gz UPZAAAIBYDBQRW-INIZCTEOSA-N 1 2 310.401 2.535 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000433307135 267300297 /nfs/dbraw/zinc/30/02/97/267300297.db2.gz UPZAAAIBYDBQRW-INIZCTEOSA-N 1 2 310.401 2.535 20 30 DFEDLO Cc1ccc(C#N)c(NCCc2[nH+]c3ccc(F)cc3n2C)n1 ZINC000342418387 267376600 /nfs/dbraw/zinc/37/66/00/267376600.db2.gz SOVLSUNKUSYBSN-UHFFFAOYSA-N 1 2 309.348 2.942 20 30 DFEDLO Cc1cc(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c[nH+]1 ZINC000425247707 267953110 /nfs/dbraw/zinc/95/31/10/267953110.db2.gz OYBWLFMYVUYNDW-DOTOQJQBSA-N 1 2 315.323 2.904 20 30 DFEDLO Cc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1C#N ZINC000489006092 267993885 /nfs/dbraw/zinc/99/38/85/267993885.db2.gz DHZHTGPINWJEBG-KRWDZBQOSA-N 1 2 312.442 2.890 20 30 DFEDLO Cc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1C#N ZINC000489006092 267993887 /nfs/dbraw/zinc/99/38/87/267993887.db2.gz DHZHTGPINWJEBG-KRWDZBQOSA-N 1 2 312.442 2.890 20 30 DFEDLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488052763 268005230 /nfs/dbraw/zinc/00/52/30/268005230.db2.gz NYHUXHFAPPICEC-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488052763 268005232 /nfs/dbraw/zinc/00/52/32/268005232.db2.gz NYHUXHFAPPICEC-QGZVFWFLSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cc(NCc2ccc[nH+]c2N(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413052762 268012107 /nfs/dbraw/zinc/01/21/07/268012107.db2.gz IEBIIXSHQOWUEB-UHFFFAOYSA-N 1 2 311.345 2.848 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1O ZINC000188343734 268046415 /nfs/dbraw/zinc/04/64/15/268046415.db2.gz JTBUDWCLTHXIMZ-UHFFFAOYSA-N 1 2 322.299 2.841 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)/C=C/c3cccc(C#N)c3)cn21 ZINC000491754143 268059463 /nfs/dbraw/zinc/05/94/63/268059463.db2.gz XCBJCAUNDJEVMY-CMDGGOBGSA-N 1 2 316.364 2.844 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)/C=C\c3cccc(C#N)c3)cn21 ZINC000491754145 268060338 /nfs/dbraw/zinc/06/03/38/268060338.db2.gz XCBJCAUNDJEVMY-HJWRWDBZSA-N 1 2 316.364 2.844 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000193618313 268074193 /nfs/dbraw/zinc/07/41/93/268074193.db2.gz ZGYUPVJSSHKAPB-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)oc1C ZINC000435452773 268080277 /nfs/dbraw/zinc/08/02/77/268080277.db2.gz PRXOREFEABHKBM-UHFFFAOYSA-N 1 2 308.341 2.548 20 30 DFEDLO Cc1noc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428446960 268097839 /nfs/dbraw/zinc/09/78/39/268097839.db2.gz MYYPAVDKWYWXFS-UHFFFAOYSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1oc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)nc(N)c2c1C ZINC000493820424 268106202 /nfs/dbraw/zinc/10/62/02/268106202.db2.gz OFYSBQYZYSIBIJ-UHFFFAOYSA-N 1 2 321.384 2.926 20 30 DFEDLO Cc1oc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)nc(N)c2c1C ZINC000493820424 268106203 /nfs/dbraw/zinc/10/62/03/268106203.db2.gz OFYSBQYZYSIBIJ-UHFFFAOYSA-N 1 2 321.384 2.926 20 30 DFEDLO Cn1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1C#N ZINC000492156351 268128238 /nfs/dbraw/zinc/12/82/38/268128238.db2.gz XTGFJACDUAYVIN-UHFFFAOYSA-N 1 2 312.295 2.928 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000428462936 268163322 /nfs/dbraw/zinc/16/33/22/268163322.db2.gz MKGUUKZQWINVGA-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000428963447 268164280 /nfs/dbraw/zinc/16/42/80/268164280.db2.gz MRAQJKYGZYJXPW-INIZCTEOSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000428963447 268164282 /nfs/dbraw/zinc/16/42/82/268164282.db2.gz MRAQJKYGZYJXPW-INIZCTEOSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782380 268180777 /nfs/dbraw/zinc/18/07/77/268180777.db2.gz JDAMGERGMOSVBB-QEEYODRMSA-N 1 2 308.834 2.697 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782380 268180780 /nfs/dbraw/zinc/18/07/80/268180780.db2.gz JDAMGERGMOSVBB-QEEYODRMSA-N 1 2 308.834 2.697 20 30 DFEDLO N#Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1OC(F)(F)F ZINC000492869650 268185817 /nfs/dbraw/zinc/18/58/17/268185817.db2.gz VBOCEZLUECJALF-RQOWECAXSA-N 1 2 322.246 2.832 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000270675214 268199733 /nfs/dbraw/zinc/19/97/33/268199733.db2.gz ULEKJKBTOFUFNQ-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(Cl)c1 ZINC000450898545 268217739 /nfs/dbraw/zinc/21/77/39/268217739.db2.gz UAPXLUBRSKAPHQ-GFCCVEGCSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(Cl)c1 ZINC000450898545 268217745 /nfs/dbraw/zinc/21/77/45/268217745.db2.gz UAPXLUBRSKAPHQ-GFCCVEGCSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(Cl)c1 ZINC000450898545 268217749 /nfs/dbraw/zinc/21/77/49/268217749.db2.gz UAPXLUBRSKAPHQ-GFCCVEGCSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(Cl)c1 ZINC000450898545 268217752 /nfs/dbraw/zinc/21/77/52/268217752.db2.gz UAPXLUBRSKAPHQ-GFCCVEGCSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC000527687228 268220524 /nfs/dbraw/zinc/22/05/24/268220524.db2.gz RXQTYVDDAFIPTP-SFHVURJKSA-N 1 2 323.440 2.783 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340380729 268244602 /nfs/dbraw/zinc/24/46/02/268244602.db2.gz RQLPJJDRTGOKET-KRWDZBQOSA-N 1 2 321.359 2.737 20 30 DFEDLO CC(C)c1nc(N(C)Cc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000270986747 268245588 /nfs/dbraw/zinc/24/55/88/268245588.db2.gz WJFCVQVUFOZKKU-UHFFFAOYSA-N 1 2 310.405 2.569 20 30 DFEDLO CC(C)c1nc(N(C)C)nc(N(C)Cc2ccc(C#N)cc2)[nH+]1 ZINC000270986747 268245591 /nfs/dbraw/zinc/24/55/91/268245591.db2.gz WJFCVQVUFOZKKU-UHFFFAOYSA-N 1 2 310.405 2.569 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1F ZINC000340902481 268246790 /nfs/dbraw/zinc/24/67/90/268246790.db2.gz PWSJJOZFNNPGAZ-AAEUAGOBSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1F ZINC000340902481 268246791 /nfs/dbraw/zinc/24/67/91/268246791.db2.gz PWSJJOZFNNPGAZ-AAEUAGOBSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340902494 268247663 /nfs/dbraw/zinc/24/76/63/268247663.db2.gz PWSJJOZFNNPGAZ-WCQYABFASA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340902494 268247664 /nfs/dbraw/zinc/24/76/64/268247664.db2.gz PWSJJOZFNNPGAZ-WCQYABFASA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1F ZINC000340902495 268247832 /nfs/dbraw/zinc/24/78/32/268247832.db2.gz PWSJJOZFNNPGAZ-YPMHNXCESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1F ZINC000340902495 268247834 /nfs/dbraw/zinc/24/78/34/268247834.db2.gz PWSJJOZFNNPGAZ-YPMHNXCESA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)C(N)=O)cc1 ZINC000427827245 268262616 /nfs/dbraw/zinc/26/26/16/268262616.db2.gz LQIFXKUNHIIJIZ-GOSISDBHSA-N 1 2 323.371 2.891 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CF)CC2)c(C#N)c1C ZINC000295120880 268290734 /nfs/dbraw/zinc/29/07/34/268290734.db2.gz JTEAOPFWBQSCLM-LLVKDONJSA-N 1 2 307.369 2.777 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000157628325 425939569 /nfs/dbraw/zinc/93/95/69/425939569.db2.gz YDYCKXWFZJRFEF-XHSDSOJGSA-N 1 2 301.434 2.776 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000157628325 425939572 /nfs/dbraw/zinc/93/95/72/425939572.db2.gz YDYCKXWFZJRFEF-XHSDSOJGSA-N 1 2 301.434 2.776 20 30 DFEDLO Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(C#N)c[nH+]1 ZINC000333398486 268395905 /nfs/dbraw/zinc/39/59/05/268395905.db2.gz NKVOWEJUNCFFBB-IBGZPJMESA-N 1 2 319.364 2.876 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107456072 425992930 /nfs/dbraw/zinc/99/29/30/425992930.db2.gz IRPQLTHVXSWTNO-UHFFFAOYSA-N 1 2 303.325 2.606 20 30 DFEDLO Cc1ccc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000158902464 425949427 /nfs/dbraw/zinc/94/94/27/425949427.db2.gz WLOYJCPLGGOYBO-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000158902464 425949430 /nfs/dbraw/zinc/94/94/30/425949430.db2.gz WLOYJCPLGGOYBO-SFHVURJKSA-N 1 2 312.369 2.912 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000106870153 425977954 /nfs/dbraw/zinc/97/79/54/425977954.db2.gz JCLAMWPHWYPDOE-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000106870153 425977957 /nfs/dbraw/zinc/97/79/57/425977957.db2.gz JCLAMWPHWYPDOE-AWEZNQCLSA-N 1 2 319.380 2.796 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000073108497 426024106 /nfs/dbraw/zinc/02/41/06/426024106.db2.gz OAEIBMPIIHIFPC-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126543993 426024938 /nfs/dbraw/zinc/02/49/38/426024938.db2.gz JYIMSPGCWSFWEE-LJQANCHMSA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126543993 426024940 /nfs/dbraw/zinc/02/49/40/426024940.db2.gz JYIMSPGCWSFWEE-LJQANCHMSA-N 1 2 324.380 2.716 20 30 DFEDLO C[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126591334 426027721 /nfs/dbraw/zinc/02/77/21/426027721.db2.gz DAOAEWOBPBSWTM-PWSDSBMBSA-N 1 2 320.396 2.878 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109759400 426033478 /nfs/dbraw/zinc/03/34/78/426033478.db2.gz LXGJJJBJZXNDFT-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109759400 426033481 /nfs/dbraw/zinc/03/34/81/426033481.db2.gz LXGJJJBJZXNDFT-OLZOCXBDSA-N 1 2 302.271 2.585 20 30 DFEDLO Cc1cc(=O)oc2cc(OCC[N@@H+](C)[C@H](C)CC#N)ccc12 ZINC000161891039 426044332 /nfs/dbraw/zinc/04/43/32/426044332.db2.gz KMKNDALBBXMWOD-CYBMUJFWSA-N 1 2 300.358 2.714 20 30 DFEDLO Cc1cc(=O)oc2cc(OCC[N@H+](C)[C@H](C)CC#N)ccc12 ZINC000161891039 426044336 /nfs/dbraw/zinc/04/43/36/426044336.db2.gz KMKNDALBBXMWOD-CYBMUJFWSA-N 1 2 300.358 2.714 20 30 DFEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N ZINC000111692424 426056110 /nfs/dbraw/zinc/05/61/10/426056110.db2.gz KMFHHHAHJPUPBN-UHFFFAOYSA-N 1 2 324.380 2.936 20 30 DFEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N ZINC000111692424 426056112 /nfs/dbraw/zinc/05/61/12/426056112.db2.gz KMFHHHAHJPUPBN-UHFFFAOYSA-N 1 2 324.380 2.936 20 30 DFEDLO COc1cccc(NC(=O)CC[N@H+](CC#N)C2CCCC2)c1 ZINC000072667000 426018008 /nfs/dbraw/zinc/01/80/08/426018008.db2.gz JJLYCKOSDIKPPT-UHFFFAOYSA-N 1 2 301.390 2.792 20 30 DFEDLO COc1cccc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)c1 ZINC000072667000 426018009 /nfs/dbraw/zinc/01/80/09/426018009.db2.gz JJLYCKOSDIKPPT-UHFFFAOYSA-N 1 2 301.390 2.792 20 30 DFEDLO C=CC[NH+](CC=C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000072590768 426018145 /nfs/dbraw/zinc/01/81/45/426018145.db2.gz IKRPDGFXWVTLRR-UHFFFAOYSA-N 1 2 301.415 2.647 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1ccc(F)cc1 ZINC000072691754 426019474 /nfs/dbraw/zinc/01/94/74/426019474.db2.gz XQYMYWHVJNUEDT-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1ccc(F)cc1 ZINC000072691754 426019475 /nfs/dbraw/zinc/01/94/75/426019475.db2.gz XQYMYWHVJNUEDT-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c(C#N)c1C ZINC000128067477 426100134 /nfs/dbraw/zinc/10/01/34/426100134.db2.gz XHHZWIYRZPOMNJ-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c(C#N)c1C ZINC000128067477 426100137 /nfs/dbraw/zinc/10/01/37/426100137.db2.gz XHHZWIYRZPOMNJ-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO C=CCCCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000076945550 426119940 /nfs/dbraw/zinc/11/99/40/426119940.db2.gz CUEOKADPDYEVSE-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128624549 426126237 /nfs/dbraw/zinc/12/62/37/426126237.db2.gz MWRWLSOTMIRPIG-HUUCEWRRSA-N 1 2 322.474 2.935 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000135036438 426203849 /nfs/dbraw/zinc/20/38/49/426203849.db2.gz VTLBEACGHIQCLE-MRXNPFEDSA-N 1 2 307.463 2.698 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130135842 426148203 /nfs/dbraw/zinc/14/82/03/426148203.db2.gz QQNQIUMJLVUKGP-DYVFJYSZSA-N 1 2 308.385 2.787 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000077928911 426153188 /nfs/dbraw/zinc/15/31/88/426153188.db2.gz DAFWMHRFRZWGTH-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOCC2(C)C)cc1OCCCC#N ZINC000130906641 426163482 /nfs/dbraw/zinc/16/34/82/426163482.db2.gz SJOVSRSPCSENTG-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO COc1ccc(C[N@H+]2CCOCC2(C)C)cc1OCCCC#N ZINC000130906641 426163485 /nfs/dbraw/zinc/16/34/85/426163485.db2.gz SJOVSRSPCSENTG-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132928795 426170938 /nfs/dbraw/zinc/17/09/38/426170938.db2.gz STXWRHDMEPNMAO-BLLLJJGKSA-N 1 2 305.447 2.549 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132928795 426170941 /nfs/dbraw/zinc/17/09/41/426170941.db2.gz STXWRHDMEPNMAO-BLLLJJGKSA-N 1 2 305.447 2.549 20 30 DFEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000171137533 426172593 /nfs/dbraw/zinc/17/25/93/426172593.db2.gz UITTVNHRCIHFPC-UHFFFAOYSA-N 1 2 314.393 2.523 20 30 DFEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccccn1 ZINC000081159508 426220241 /nfs/dbraw/zinc/22/02/41/426220241.db2.gz JQDSBTXYNPQXSS-UHFFFAOYSA-N 1 2 308.385 2.826 20 30 DFEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccn1 ZINC000081159508 426220244 /nfs/dbraw/zinc/22/02/44/426220244.db2.gz JQDSBTXYNPQXSS-UHFFFAOYSA-N 1 2 308.385 2.826 20 30 DFEDLO N#Cc1csc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000084074147 426231701 /nfs/dbraw/zinc/23/17/01/426231701.db2.gz QWIBWTLVTXMLBZ-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO C=C(C)COCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000137379604 426253740 /nfs/dbraw/zinc/25/37/40/426253740.db2.gz OOOLJNPCAIGPBV-UHFFFAOYSA-N 1 2 314.389 2.801 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135227393 426209940 /nfs/dbraw/zinc/20/99/40/426209940.db2.gz KJFLRDYYSQXYTI-CQSZACIVSA-N 1 2 322.474 2.743 20 30 DFEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135227393 426209942 /nfs/dbraw/zinc/20/99/42/426209942.db2.gz KJFLRDYYSQXYTI-CQSZACIVSA-N 1 2 322.474 2.743 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000120828058 426316375 /nfs/dbraw/zinc/31/63/75/426316375.db2.gz JUDYRBCHUDKINY-UHFFFAOYSA-N 1 2 311.385 2.925 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153874 426281774 /nfs/dbraw/zinc/28/17/74/426281774.db2.gz LDFBIUHIGFKOAP-IRXDYDNUSA-N 1 2 305.805 2.571 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153874 426281777 /nfs/dbraw/zinc/28/17/77/426281777.db2.gz LDFBIUHIGFKOAP-IRXDYDNUSA-N 1 2 305.805 2.571 20 30 DFEDLO C=CCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176606149 426397594 /nfs/dbraw/zinc/39/75/94/426397594.db2.gz KHZCEAWUEHRFOA-KBPBESRZSA-N 1 2 308.447 2.592 20 30 DFEDLO C=CCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176606149 426397597 /nfs/dbraw/zinc/39/75/97/426397597.db2.gz KHZCEAWUEHRFOA-KBPBESRZSA-N 1 2 308.447 2.592 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000153756458 426403934 /nfs/dbraw/zinc/40/39/34/426403934.db2.gz BNFUJQROZIPXJQ-CQSZACIVSA-N 1 2 313.401 2.849 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000153756458 426403936 /nfs/dbraw/zinc/40/39/36/426403936.db2.gz BNFUJQROZIPXJQ-CQSZACIVSA-N 1 2 313.401 2.849 20 30 DFEDLO C=CC[N@H+](Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000092361121 426348420 /nfs/dbraw/zinc/34/84/20/426348420.db2.gz ZBHSFZNRPPDLPN-CQSZACIVSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000092361121 426348423 /nfs/dbraw/zinc/34/84/23/426348423.db2.gz ZBHSFZNRPPDLPN-CQSZACIVSA-N 1 2 305.399 2.608 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000152728374 426351108 /nfs/dbraw/zinc/35/11/08/426351108.db2.gz UHVUYQPCWJPXMG-INIZCTEOSA-N 1 2 300.402 2.900 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000152728374 426351111 /nfs/dbraw/zinc/35/11/11/426351111.db2.gz UHVUYQPCWJPXMG-INIZCTEOSA-N 1 2 300.402 2.900 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000093647265 426357758 /nfs/dbraw/zinc/35/77/58/426357758.db2.gz TWGOJYHEZZHEID-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000093647265 426357761 /nfs/dbraw/zinc/35/77/61/426357761.db2.gz TWGOJYHEZZHEID-GOSISDBHSA-N 1 2 313.401 2.558 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153207695 426376226 /nfs/dbraw/zinc/37/62/26/426376226.db2.gz MVUVOLYOQCFGKS-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000097061889 426445389 /nfs/dbraw/zinc/44/53/89/426445389.db2.gz XRVAFYIDLJKIAP-GXTWGEPZSA-N 1 2 313.426 2.571 20 30 DFEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000097061889 426445392 /nfs/dbraw/zinc/44/53/92/426445392.db2.gz XRVAFYIDLJKIAP-GXTWGEPZSA-N 1 2 313.426 2.571 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccnc1 ZINC000340780417 269012072 /nfs/dbraw/zinc/01/20/72/269012072.db2.gz TUYANAXTJRNQNK-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000177164817 426449577 /nfs/dbraw/zinc/44/95/77/426449577.db2.gz HEOHEVPWJUVEMY-QWHCGFSZSA-N 1 2 321.471 2.552 20 30 DFEDLO CC[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000177164817 426449581 /nfs/dbraw/zinc/44/95/81/426449581.db2.gz HEOHEVPWJUVEMY-QWHCGFSZSA-N 1 2 321.471 2.552 20 30 DFEDLO CCCS(=O)(=O)CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000097153513 426455697 /nfs/dbraw/zinc/45/56/97/426455697.db2.gz PPLYIGUBBXYBNR-CQSZACIVSA-N 1 2 308.447 2.766 20 30 DFEDLO CCCS(=O)(=O)CC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000097153513 426455701 /nfs/dbraw/zinc/45/57/01/426455701.db2.gz PPLYIGUBBXYBNR-CQSZACIVSA-N 1 2 308.447 2.766 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccccc2OC)C1=O ZINC000155199847 426467061 /nfs/dbraw/zinc/46/70/61/426467061.db2.gz CQWZIISDAJGAOJ-GOEBONIOSA-N 1 2 315.417 2.672 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccccc2OC)C1=O ZINC000155199847 426467063 /nfs/dbraw/zinc/46/70/63/426467063.db2.gz CQWZIISDAJGAOJ-GOEBONIOSA-N 1 2 315.417 2.672 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000177322159 426467196 /nfs/dbraw/zinc/46/71/96/426467196.db2.gz VIEIBPQQFXPMRX-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000177322159 426467198 /nfs/dbraw/zinc/46/71/98/426467198.db2.gz VIEIBPQQFXPMRX-MRXNPFEDSA-N 1 2 303.381 2.530 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000155253431 426467878 /nfs/dbraw/zinc/46/78/78/426467878.db2.gz IABCMHVCCAKFKJ-XJKSGUPXSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000155253431 426467882 /nfs/dbraw/zinc/46/78/82/426467882.db2.gz IABCMHVCCAKFKJ-XJKSGUPXSA-N 1 2 303.381 2.803 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000097472731 426468234 /nfs/dbraw/zinc/46/82/34/426468234.db2.gz LRCFVZPCMXCQDQ-UHFFFAOYSA-N 1 2 323.331 2.709 20 30 DFEDLO N#CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000195314128 426512948 /nfs/dbraw/zinc/51/29/48/426512948.db2.gz XRVKOYWABLAXMG-UHFFFAOYSA-N 1 2 323.190 2.913 20 30 DFEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195312811 426513312 /nfs/dbraw/zinc/51/33/12/426513312.db2.gz NVFFTUNNLWZKLP-OAHLLOKOSA-N 1 2 317.458 2.819 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264421685 426552087 /nfs/dbraw/zinc/55/20/87/426552087.db2.gz AFUOJRILRMAWRE-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO C=C1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000264433790 426553761 /nfs/dbraw/zinc/55/37/61/426553761.db2.gz DASOXTCSGWYVDV-UHFFFAOYSA-N 1 2 301.415 2.911 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000177680264 426505115 /nfs/dbraw/zinc/50/51/15/426505115.db2.gz SOIUYGITHOTQQM-SFHVURJKSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000177680264 426505121 /nfs/dbraw/zinc/50/51/21/426505121.db2.gz SOIUYGITHOTQQM-SFHVURJKSA-N 1 2 312.369 2.994 20 30 DFEDLO C#CCOc1cccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000264514904 426566842 /nfs/dbraw/zinc/56/68/42/426566842.db2.gz GQQIGHJJDRUOKE-UHFFFAOYSA-N 1 2 324.384 2.553 20 30 DFEDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000289055796 426575931 /nfs/dbraw/zinc/57/59/31/426575931.db2.gz QWGIGFFKNDVSKT-UHFFFAOYSA-N 1 2 322.412 2.695 20 30 DFEDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000289055796 426575936 /nfs/dbraw/zinc/57/59/36/426575936.db2.gz QWGIGFFKNDVSKT-UHFFFAOYSA-N 1 2 322.412 2.695 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000280564906 426602201 /nfs/dbraw/zinc/60/22/01/426602201.db2.gz GCKMQFIDETWXOT-SQNIBIBYSA-N 1 2 317.429 2.650 20 30 DFEDLO COc1cc(C#N)ccc1OC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000265417287 426633357 /nfs/dbraw/zinc/63/33/57/426633357.db2.gz DYEJJOUQULTCHC-CQSZACIVSA-N 1 2 324.380 2.993 20 30 DFEDLO COc1cc(C#N)ccc1OC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000265417287 426633363 /nfs/dbraw/zinc/63/33/63/426633363.db2.gz DYEJJOUQULTCHC-CQSZACIVSA-N 1 2 324.380 2.993 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000187483523 426666491 /nfs/dbraw/zinc/66/64/91/426666491.db2.gz JDSZMXANGSWIAK-UHFFFAOYSA-N 1 2 320.820 2.841 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000187483523 426666495 /nfs/dbraw/zinc/66/64/95/426666495.db2.gz JDSZMXANGSWIAK-UHFFFAOYSA-N 1 2 320.820 2.841 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C1=O ZINC000281206380 426704852 /nfs/dbraw/zinc/70/48/52/426704852.db2.gz JIVKFQMJLKJYJF-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C1=O ZINC000281206380 426704856 /nfs/dbraw/zinc/70/48/56/426704856.db2.gz JIVKFQMJLKJYJF-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281037757 426699708 /nfs/dbraw/zinc/69/97/08/426699708.db2.gz IOVKYOPSGGTLMV-MRXNPFEDSA-N 1 2 302.418 2.603 20 30 DFEDLO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245733820 426766707 /nfs/dbraw/zinc/76/67/07/426766707.db2.gz KDCACGXTQQHRET-RDJZCZTQSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245733820 426766712 /nfs/dbraw/zinc/76/67/12/426766712.db2.gz KDCACGXTQQHRET-RDJZCZTQSA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245733824 426767072 /nfs/dbraw/zinc/76/70/72/426767072.db2.gz KDCACGXTQQHRET-WBVHZDCISA-N 1 2 322.836 2.794 20 30 DFEDLO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245733824 426767077 /nfs/dbraw/zinc/76/70/77/426767077.db2.gz KDCACGXTQQHRET-WBVHZDCISA-N 1 2 322.836 2.794 20 30 DFEDLO C[C@@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000290497333 426777805 /nfs/dbraw/zinc/77/78/05/426777805.db2.gz ALOHCZLLUVDJGK-WBMJQRKESA-N 1 2 311.345 2.750 20 30 DFEDLO COc1cc(C(N)=[NH+]OCCCSC)cc(Cl)c1OC ZINC000266333033 426725127 /nfs/dbraw/zinc/72/51/27/426725127.db2.gz TWDFHKXWPLWFQG-UHFFFAOYSA-N 1 2 318.826 2.747 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC=C(Br)C1 ZINC000281622247 426732575 /nfs/dbraw/zinc/73/25/75/426732575.db2.gz KJZBMITTZSAOQM-GFCCVEGCSA-N 1 2 313.239 2.560 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC=C(Br)C1 ZINC000281622247 426732580 /nfs/dbraw/zinc/73/25/80/426732580.db2.gz KJZBMITTZSAOQM-GFCCVEGCSA-N 1 2 313.239 2.560 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC=C(Br)C1 ZINC000281622250 426732586 /nfs/dbraw/zinc/73/25/86/426732586.db2.gz KJZBMITTZSAOQM-LBPRGKRZSA-N 1 2 313.239 2.560 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC=C(Br)C1 ZINC000281622250 426732590 /nfs/dbraw/zinc/73/25/90/426732590.db2.gz KJZBMITTZSAOQM-LBPRGKRZSA-N 1 2 313.239 2.560 20 30 DFEDLO Cc1nc(N2CC[NH+](Cc3ccccc3C#N)CC2)sc1C ZINC000179012512 426735236 /nfs/dbraw/zinc/73/52/36/426735236.db2.gz JEGHUVQRWDCBJX-UHFFFAOYSA-N 1 2 312.442 2.954 20 30 DFEDLO CC#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652747 426759981 /nfs/dbraw/zinc/75/99/81/426759981.db2.gz CQWZVKUIADKLLH-CABCVRRESA-N 1 2 323.799 2.547 20 30 DFEDLO CC#CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652747 426759986 /nfs/dbraw/zinc/75/99/86/426759986.db2.gz CQWZVKUIADKLLH-CABCVRRESA-N 1 2 323.799 2.547 20 30 DFEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1C#N ZINC000179193377 426766328 /nfs/dbraw/zinc/76/63/28/426766328.db2.gz BDHGMGRWOUVVNA-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1C#N ZINC000179193377 426766332 /nfs/dbraw/zinc/76/63/32/426766332.db2.gz BDHGMGRWOUVVNA-UHFFFAOYSA-N 1 2 323.396 2.946 20 30 DFEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266933156 426798447 /nfs/dbraw/zinc/79/84/47/426798447.db2.gz PALVHWHOPKVOQI-LLVKDONJSA-N 1 2 300.318 2.661 20 30 DFEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266933156 426798449 /nfs/dbraw/zinc/79/84/49/426798449.db2.gz PALVHWHOPKVOQI-LLVKDONJSA-N 1 2 300.318 2.661 20 30 DFEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000266936537 426798459 /nfs/dbraw/zinc/79/84/59/426798459.db2.gz PYQUYIUZXAOHQA-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000266936537 426798461 /nfs/dbraw/zinc/79/84/61/426798461.db2.gz PYQUYIUZXAOHQA-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO COC(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000179552084 426800332 /nfs/dbraw/zinc/80/03/32/426800332.db2.gz HYJKOEDWQOXFTJ-UHFFFAOYSA-N 1 2 306.325 2.605 20 30 DFEDLO C=CCCCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000274612133 426802167 /nfs/dbraw/zinc/80/21/67/426802167.db2.gz QVWZQUSSYCPMEV-UHFFFAOYSA-N 1 2 317.433 2.997 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccccc3s2)C1=O ZINC000281976904 426805177 /nfs/dbraw/zinc/80/51/77/426805177.db2.gz LQTKUGGQUPAWQB-ZDUSSCGKSA-N 1 2 301.415 2.515 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccccc3s2)C1=O ZINC000281976904 426805182 /nfs/dbraw/zinc/80/51/82/426805182.db2.gz LQTKUGGQUPAWQB-ZDUSSCGKSA-N 1 2 301.415 2.515 20 30 DFEDLO C[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)[NH+]1CCOCC1 ZINC000267016123 426811727 /nfs/dbraw/zinc/81/17/27/426811727.db2.gz IAIDCPKUXWLWTC-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO C=CCCCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000274704877 426820939 /nfs/dbraw/zinc/82/09/39/426820939.db2.gz ZNNUADNMJNMUMX-UHFFFAOYSA-N 1 2 304.438 2.968 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC4(CCCCC4)C3)n2c1 ZINC000179934884 426827097 /nfs/dbraw/zinc/82/70/97/426827097.db2.gz AQWVJCQMEWBDOL-UHFFFAOYSA-N 1 2 310.401 2.741 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC4(CCCCC4)C3)n2c1 ZINC000179934884 426827102 /nfs/dbraw/zinc/82/71/02/426827102.db2.gz AQWVJCQMEWBDOL-UHFFFAOYSA-N 1 2 310.401 2.741 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3CCC3)CC2)cc1 ZINC000267182336 426839495 /nfs/dbraw/zinc/83/94/95/426839495.db2.gz HWQHLLSCRLLRRH-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295204248 426861793 /nfs/dbraw/zinc/86/17/93/426861793.db2.gz SYWPGEJOXCDNQU-GFCCVEGCSA-N 1 2 312.373 2.622 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295204248 426861798 /nfs/dbraw/zinc/86/17/98/426861798.db2.gz SYWPGEJOXCDNQU-GFCCVEGCSA-N 1 2 312.373 2.622 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)o1 ZINC000282272037 426869322 /nfs/dbraw/zinc/86/93/22/426869322.db2.gz PWCDMTJVDKGYHX-UHFFFAOYSA-N 1 2 311.263 2.777 20 30 DFEDLO C[C@H]1CCN(c2snc(Cl)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000268233148 426958975 /nfs/dbraw/zinc/95/89/75/426958975.db2.gz FXZPNTXGXGNFRH-ONGXEEELSA-N 1 2 307.810 2.952 20 30 DFEDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000268257686 426967299 /nfs/dbraw/zinc/96/72/99/426967299.db2.gz LNXBHFGDEXWTMU-WBMJQRKESA-N 1 2 311.345 2.750 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@H](C)CC ZINC000181629322 426970815 /nfs/dbraw/zinc/97/08/15/426970815.db2.gz ZRPPBHVLHXAXAN-CJNGLKHVSA-N 1 2 304.390 2.504 20 30 DFEDLO Cc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(C2CC2)[nH+]1 ZINC000291782869 426987402 /nfs/dbraw/zinc/98/74/02/426987402.db2.gz IHAWCCYOUGJWDJ-HNNXBMFYSA-N 1 2 321.384 2.587 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268337793 426990033 /nfs/dbraw/zinc/99/00/33/426990033.db2.gz ZHFQZEWJQZSDQB-MRXNPFEDSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268337793 426990041 /nfs/dbraw/zinc/99/00/41/426990041.db2.gz ZHFQZEWJQZSDQB-MRXNPFEDSA-N 1 2 317.408 2.824 20 30 DFEDLO C[C@H](CCO)C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000329182511 427060289 /nfs/dbraw/zinc/06/02/89/427060289.db2.gz FEMPBTFJTWRVOY-ZIAGYGMSSA-N 1 2 305.422 2.591 20 30 DFEDLO C[C@]1(F)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295543511 427000230 /nfs/dbraw/zinc/00/02/30/427000230.db2.gz WJPQQECPWRSZNY-INIZCTEOSA-N 1 2 300.337 2.932 20 30 DFEDLO C[C@]1(F)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295543511 427000237 /nfs/dbraw/zinc/00/02/37/427000237.db2.gz WJPQQECPWRSZNY-INIZCTEOSA-N 1 2 300.337 2.932 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCc1c[nH+]cn1C ZINC000328833049 427004567 /nfs/dbraw/zinc/00/45/67/427004567.db2.gz LOCMXQSBYMVIMR-CYBMUJFWSA-N 1 2 316.409 2.559 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1Cl ZINC000276419653 427061630 /nfs/dbraw/zinc/06/16/30/427061630.db2.gz CCQAXPHAYFJSAJ-LLVKDONJSA-N 1 2 306.797 2.884 20 30 DFEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)ccc1C#N ZINC000291877058 427014854 /nfs/dbraw/zinc/01/48/54/427014854.db2.gz ITTJPKUCKYUJLU-MRXNPFEDSA-N 1 2 311.389 2.575 20 30 DFEDLO Cc1ccc2ncc(C#N)c(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000291929930 427030282 /nfs/dbraw/zinc/03/02/82/427030282.db2.gz MAYJICYHRGDXOA-UHFFFAOYSA-N 1 2 322.412 2.692 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329052909 427034099 /nfs/dbraw/zinc/03/40/99/427034099.db2.gz HKVHYAABNNNCEN-MAUKXSAKSA-N 1 2 318.417 2.853 20 30 DFEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329052909 427034104 /nfs/dbraw/zinc/03/41/04/427034104.db2.gz HKVHYAABNNNCEN-MAUKXSAKSA-N 1 2 318.417 2.853 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCSC1)C1CCOCC1 ZINC000329087642 427038929 /nfs/dbraw/zinc/03/89/29/427038929.db2.gz VEOBVCIISLBACX-CHWSQXEVSA-N 1 2 309.435 2.597 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000276350717 427043190 /nfs/dbraw/zinc/04/31/90/427043190.db2.gz HMEKCKQTGUZTAZ-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000329096804 427043748 /nfs/dbraw/zinc/04/37/48/427043748.db2.gz LHEXRIGOWXLPRS-GHMZBOCLSA-N 1 2 315.377 2.638 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276361747 427045790 /nfs/dbraw/zinc/04/57/90/427045790.db2.gz RXDHDCPYXHUMRZ-GOEBONIOSA-N 1 2 303.406 2.525 20 30 DFEDLO C[C@@H](C(=O)Nc1nncn1C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000329121544 427049590 /nfs/dbraw/zinc/04/95/90/427049590.db2.gz QNOOWHSYXMDITR-LBPRGKRZSA-N 1 2 311.389 2.648 20 30 DFEDLO C[C@@H](C(=O)Nc1nncn1C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000329121544 427049597 /nfs/dbraw/zinc/04/95/97/427049597.db2.gz QNOOWHSYXMDITR-LBPRGKRZSA-N 1 2 311.389 2.648 20 30 DFEDLO C[C@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)NC(=O)C1CCCC1 ZINC000329149496 427054940 /nfs/dbraw/zinc/05/49/40/427054940.db2.gz QROQVSOQFNHUNJ-OCCSQVGLSA-N 1 2 318.421 2.999 20 30 DFEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000292079693 427083793 /nfs/dbraw/zinc/08/37/93/427083793.db2.gz DFUWKEXTMSWKGD-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000292079693 427083798 /nfs/dbraw/zinc/08/37/98/427083798.db2.gz DFUWKEXTMSWKGD-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2C)no1 ZINC000329322828 427089480 /nfs/dbraw/zinc/08/94/80/427089480.db2.gz RVYOFZJHUXDUSC-CYBMUJFWSA-N 1 2 301.350 2.772 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249192734 427099423 /nfs/dbraw/zinc/09/94/23/427099423.db2.gz APYXSZFJSWSUNU-DOMZBBRYSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249192734 427099429 /nfs/dbraw/zinc/09/94/29/427099429.db2.gz APYXSZFJSWSUNU-DOMZBBRYSA-N 1 2 320.462 2.597 20 30 DFEDLO O=C(NCCOC1CCCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329426196 427113022 /nfs/dbraw/zinc/11/30/22/427113022.db2.gz GBDPXSQLPLZTJN-UHFFFAOYSA-N 1 2 310.438 2.547 20 30 DFEDLO Cc1nc(CCNC(=O)C2CC[NH+](CC(F)F)CC2)c(C)o1 ZINC000329583657 427144619 /nfs/dbraw/zinc/14/46/19/427144619.db2.gz XQGUQNMADCAHQU-UHFFFAOYSA-N 1 2 315.364 2.768 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(C#N)c3C)cn21 ZINC000338123767 427147038 /nfs/dbraw/zinc/14/70/38/427147038.db2.gz YQPODWSTJXFKNX-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO N#CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000338134216 427153764 /nfs/dbraw/zinc/15/37/64/427153764.db2.gz NPLVDHDZXHZIRA-UHFFFAOYSA-N 1 2 305.179 2.638 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000338137495 427155801 /nfs/dbraw/zinc/15/58/01/427155801.db2.gz QUTJJDPAWXWSPJ-OAHLLOKOSA-N 1 2 322.412 2.695 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000338163415 427165930 /nfs/dbraw/zinc/16/59/30/427165930.db2.gz HUKNEDSCYKZMEF-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000338163415 427165937 /nfs/dbraw/zinc/16/59/37/427165937.db2.gz HUKNEDSCYKZMEF-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(C#N)c3C)cn2c1 ZINC000338162448 427166013 /nfs/dbraw/zinc/16/60/13/427166013.db2.gz QIDJNLLOQAWSMN-UHFFFAOYSA-N 1 2 304.353 2.753 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000269667289 427247026 /nfs/dbraw/zinc/24/70/26/427247026.db2.gz ZKUGTLMFJJATMN-UHFFFAOYSA-N 1 2 323.824 2.523 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000269667289 427247031 /nfs/dbraw/zinc/24/70/31/427247031.db2.gz ZKUGTLMFJJATMN-UHFFFAOYSA-N 1 2 323.824 2.523 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338323588 427258238 /nfs/dbraw/zinc/25/82/38/427258238.db2.gz FBSCDECBBZOXEA-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338323588 427258241 /nfs/dbraw/zinc/25/82/41/427258241.db2.gz FBSCDECBBZOXEA-CQSZACIVSA-N 1 2 320.408 2.833 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338326930 427263113 /nfs/dbraw/zinc/26/31/13/427263113.db2.gz CEQGBFKRVYYLOR-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338326930 427263118 /nfs/dbraw/zinc/26/31/18/427263118.db2.gz CEQGBFKRVYYLOR-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO C=CCN(CC=C)C(=O)C(C)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338330585 427265382 /nfs/dbraw/zinc/26/53/82/427265382.db2.gz DMVNJSVXNLXWKW-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO C=CCN(CC=C)C(=O)C(C)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338330585 427265390 /nfs/dbraw/zinc/26/53/90/427265390.db2.gz DMVNJSVXNLXWKW-CQSZACIVSA-N 1 2 318.392 2.609 20 30 DFEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330567172 427267046 /nfs/dbraw/zinc/26/70/46/427267046.db2.gz MSHFEVBLPCBDHZ-IIDMSEBBSA-N 1 2 314.433 2.598 20 30 DFEDLO CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330603979 427273830 /nfs/dbraw/zinc/27/38/30/427273830.db2.gz XWPAGZGQAXOROK-JKIFEVAISA-N 1 2 315.417 2.631 20 30 DFEDLO CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330603979 427273838 /nfs/dbraw/zinc/27/38/38/427273838.db2.gz XWPAGZGQAXOROK-JKIFEVAISA-N 1 2 315.417 2.631 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000191170534 427275358 /nfs/dbraw/zinc/27/53/58/427275358.db2.gz VZWAYDGYTUDHGB-SIIHOXLZSA-N 1 2 323.396 2.584 20 30 DFEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000191170534 427275360 /nfs/dbraw/zinc/27/53/60/427275360.db2.gz VZWAYDGYTUDHGB-SIIHOXLZSA-N 1 2 323.396 2.584 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000330833713 427306528 /nfs/dbraw/zinc/30/65/28/427306528.db2.gz VKZKNWYTLNMKSV-YOEHRIQHSA-N 1 2 303.406 2.861 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000330833713 427306534 /nfs/dbraw/zinc/30/65/34/427306534.db2.gz VKZKNWYTLNMKSV-YOEHRIQHSA-N 1 2 303.406 2.861 20 30 DFEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255868158 427298268 /nfs/dbraw/zinc/29/82/68/427298268.db2.gz XRVAFYIDLJKIAP-OCCSQVGLSA-N 1 2 313.426 2.571 20 30 DFEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000255868158 427298271 /nfs/dbraw/zinc/29/82/71/427298271.db2.gz XRVAFYIDLJKIAP-OCCSQVGLSA-N 1 2 313.426 2.571 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCN(CC)C(=O)C2)cc1Cl ZINC000191538075 427373565 /nfs/dbraw/zinc/37/35/65/427373565.db2.gz WQTWPNYQDCVNSX-UHFFFAOYSA-N 1 2 322.836 2.959 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CC)C(=O)C2)cc1Cl ZINC000191538075 427373572 /nfs/dbraw/zinc/37/35/72/427373572.db2.gz WQTWPNYQDCVNSX-UHFFFAOYSA-N 1 2 322.836 2.959 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)cc1Cl ZINC000271209585 427452606 /nfs/dbraw/zinc/45/26/06/427452606.db2.gz XSHZCSLVXTUTLB-ZDUSSCGKSA-N 1 2 322.836 2.957 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)cc1Cl ZINC000271209585 427452612 /nfs/dbraw/zinc/45/26/12/427452612.db2.gz XSHZCSLVXTUTLB-ZDUSSCGKSA-N 1 2 322.836 2.957 20 30 DFEDLO Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)[nH+]1 ZINC000184419976 427456352 /nfs/dbraw/zinc/45/63/52/427456352.db2.gz PJFDSHSTJHZDHA-UHFFFAOYSA-N 1 2 322.368 2.865 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2nccs2)c(C#N)c1C ZINC000184436584 427461766 /nfs/dbraw/zinc/46/17/66/427461766.db2.gz QAKRWQGOLIIGSR-VIFPVBQESA-N 1 2 320.443 2.982 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000192076984 427477456 /nfs/dbraw/zinc/47/74/56/427477456.db2.gz ZTAVFCFLTHUWBR-GOSISDBHSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000192076984 427477463 /nfs/dbraw/zinc/47/74/63/427477463.db2.gz ZTAVFCFLTHUWBR-GOSISDBHSA-N 1 2 312.344 2.976 20 30 DFEDLO C=CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000271332886 427499716 /nfs/dbraw/zinc/49/97/16/427499716.db2.gz AXZLJRLMXURNMG-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO C=CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000271332886 427499722 /nfs/dbraw/zinc/49/97/22/427499722.db2.gz AXZLJRLMXURNMG-UHFFFAOYSA-N 1 2 300.318 2.795 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1sccc1C(=O)OCC)C1CC1 ZINC000271368547 427513830 /nfs/dbraw/zinc/51/38/30/427513830.db2.gz GMRWKQSDLFHOAT-UHFFFAOYSA-N 1 2 308.403 2.514 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1sccc1C(=O)OCC)C1CC1 ZINC000271368547 427513836 /nfs/dbraw/zinc/51/38/36/427513836.db2.gz GMRWKQSDLFHOAT-UHFFFAOYSA-N 1 2 308.403 2.514 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000298167918 427526174 /nfs/dbraw/zinc/52/61/74/427526174.db2.gz QDOFGZFEOBMZAD-GFCCVEGCSA-N 1 2 317.389 2.745 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000298167918 427526179 /nfs/dbraw/zinc/52/61/79/427526179.db2.gz QDOFGZFEOBMZAD-GFCCVEGCSA-N 1 2 317.389 2.745 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C#N)cc1 ZINC000298199902 427531141 /nfs/dbraw/zinc/53/11/41/427531141.db2.gz HVHHBRRECKODHQ-HNNXBMFYSA-N 1 2 321.380 2.910 20 30 DFEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(F)c1 ZINC000263649126 427531418 /nfs/dbraw/zinc/53/14/18/427531418.db2.gz BERNKKNQWWLYLJ-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643251 427581243 /nfs/dbraw/zinc/58/12/43/427581243.db2.gz YNZIQSZGAYXDKA-CQSZACIVSA-N 1 2 317.389 2.616 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643251 427581249 /nfs/dbraw/zinc/58/12/49/427581249.db2.gz YNZIQSZGAYXDKA-CQSZACIVSA-N 1 2 317.389 2.616 20 30 DFEDLO C=C[C@](C)(O)CC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298530869 427638937 /nfs/dbraw/zinc/63/89/37/427638937.db2.gz VOAPHPNMVNMGSN-SFHVURJKSA-N 1 2 313.401 2.623 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279322886 427639384 /nfs/dbraw/zinc/63/93/84/427639384.db2.gz SMFOQQVWODGHQX-UHFFFAOYSA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279322886 427639387 /nfs/dbraw/zinc/63/93/87/427639387.db2.gz SMFOQQVWODGHQX-UHFFFAOYSA-N 1 2 309.753 2.530 20 30 DFEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298530867 427640372 /nfs/dbraw/zinc/64/03/72/427640372.db2.gz VOAPHPNMVNMGSN-GOSISDBHSA-N 1 2 313.401 2.623 20 30 DFEDLO C=CC[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279340766 427646171 /nfs/dbraw/zinc/64/61/71/427646171.db2.gz QAWGZCLTPLEINU-SJLPKXTDSA-N 1 2 316.445 2.525 20 30 DFEDLO O=C(CCc1[nH]cc[nH+]1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279361837 427653586 /nfs/dbraw/zinc/65/35/86/427653586.db2.gz GEPPAMDZHDACER-UHFFFAOYSA-N 1 2 321.302 2.529 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCSCC1 ZINC000264096291 427654281 /nfs/dbraw/zinc/65/42/81/427654281.db2.gz CKQSXNKUYUVRBT-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO COc1ccc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1C#N ZINC000294762686 427655330 /nfs/dbraw/zinc/65/53/30/427655330.db2.gz JFRILDICFCJCKI-MRXNPFEDSA-N 1 2 310.401 2.883 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(OC)c2)n1 ZINC000279430775 427668360 /nfs/dbraw/zinc/66/83/60/427668360.db2.gz QHMWNNRKJIHEBK-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(OC)c2)n1 ZINC000279430775 427668366 /nfs/dbraw/zinc/66/83/66/427668366.db2.gz QHMWNNRKJIHEBK-UHFFFAOYSA-N 1 2 313.401 2.556 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729715 272047776 /nfs/dbraw/zinc/04/77/76/272047776.db2.gz YFNOVMOZWSBUAB-NOLJZWGESA-N 1 2 318.804 2.985 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000342729715 272047779 /nfs/dbraw/zinc/04/77/79/272047779.db2.gz YFNOVMOZWSBUAB-NOLJZWGESA-N 1 2 318.804 2.985 20 30 DFEDLO C=CC[N@H+](C[C@@H]1CCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000339107881 427676687 /nfs/dbraw/zinc/67/66/87/427676687.db2.gz KJYRVEMHIFIKNH-ROUUACIJSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[N@@H+](C[C@@H]1CCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000339107881 427676696 /nfs/dbraw/zinc/67/66/96/427676696.db2.gz KJYRVEMHIFIKNH-ROUUACIJSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000298695829 427678984 /nfs/dbraw/zinc/67/89/84/427678984.db2.gz SQBMDMSWXIEHEM-LBPRGKRZSA-N 1 2 319.361 2.604 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CO)CC1 ZINC000298792260 427706270 /nfs/dbraw/zinc/70/62/70/427706270.db2.gz ZAHDWBLFIMWQSM-UHFFFAOYSA-N 1 2 320.458 2.608 20 30 DFEDLO N#CCCOCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000339163386 427710630 /nfs/dbraw/zinc/71/06/30/427710630.db2.gz DFBIBRYXTLWCEH-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO N#CCCOCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000339163386 427710636 /nfs/dbraw/zinc/71/06/36/427710636.db2.gz DFBIBRYXTLWCEH-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1 ZINC000299291353 427764577 /nfs/dbraw/zinc/76/45/77/427764577.db2.gz FRAMXAKSZAWGLF-UHFFFAOYSA-N 1 2 311.429 2.949 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(C#N)c1 ZINC000299291353 427764580 /nfs/dbraw/zinc/76/45/80/427764580.db2.gz FRAMXAKSZAWGLF-UHFFFAOYSA-N 1 2 311.429 2.949 20 30 DFEDLO C=CC[C@H](CC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000337070583 427795246 /nfs/dbraw/zinc/79/52/46/427795246.db2.gz OCAPPCQESHOGMC-KRWDZBQOSA-N 1 2 324.428 3.482 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000337070586 427795776 /nfs/dbraw/zinc/79/57/76/427795776.db2.gz OCAPPCQESHOGMC-QGZVFWFLSA-N 1 2 324.428 3.482 20 30 DFEDLO N#Cc1ccc(OCCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000301476330 427798917 /nfs/dbraw/zinc/79/89/17/427798917.db2.gz WKRIVFWRBSCZEU-UHFFFAOYSA-N 1 2 323.400 2.829 20 30 DFEDLO N#Cc1ccc(OCCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000301476330 427798919 /nfs/dbraw/zinc/79/89/19/427798919.db2.gz WKRIVFWRBSCZEU-UHFFFAOYSA-N 1 2 323.400 2.829 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)C1=O ZINC000337163570 427807854 /nfs/dbraw/zinc/80/78/54/427807854.db2.gz WUWVTOGHDVANQQ-BZNIZROVSA-N 1 2 306.356 2.671 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(F)cc(F)cc3[C@H]2C)C1=O ZINC000337163570 427807856 /nfs/dbraw/zinc/80/78/56/427807856.db2.gz WUWVTOGHDVANQQ-BZNIZROVSA-N 1 2 306.356 2.671 20 30 DFEDLO Cc1nc(N2CCN(c3ccccc3C#N)CC2)c(C)c(C)[nH+]1 ZINC000301675198 427815122 /nfs/dbraw/zinc/81/51/22/427815122.db2.gz HEQZHULPMPRTIQ-UHFFFAOYSA-N 1 2 307.401 2.600 20 30 DFEDLO Cc1cc(N[C@H]2CCN(C(=O)C3CCCC3)C2)c(C#N)c(C)[nH+]1 ZINC000301752460 427821673 /nfs/dbraw/zinc/82/16/73/427821673.db2.gz BMSQVOYWHLFHLJ-HNNXBMFYSA-N 1 2 312.417 2.773 20 30 DFEDLO CNC(=O)CCOc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301765518 427822306 /nfs/dbraw/zinc/82/23/06/427822306.db2.gz HEHHGTADLUQJEX-UHFFFAOYSA-N 1 2 324.384 2.829 20 30 DFEDLO Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301764954 427822398 /nfs/dbraw/zinc/82/23/98/427822398.db2.gz GZRRNQQUMQSATN-ZDUSSCGKSA-N 1 2 316.405 2.674 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000339759530 427824371 /nfs/dbraw/zinc/82/43/71/427824371.db2.gz FCKDFDLHWQFHNT-UHFFFAOYSA-N 1 2 324.424 2.762 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000339759530 427824373 /nfs/dbraw/zinc/82/43/73/427824373.db2.gz FCKDFDLHWQFHNT-UHFFFAOYSA-N 1 2 324.424 2.762 20 30 DFEDLO Cc1cc(N[C@H]2CCN(C(=O)c3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000301793079 427825188 /nfs/dbraw/zinc/82/51/88/427825188.db2.gz RRCOWURJCCQQSJ-INIZCTEOSA-N 1 2 320.396 2.897 20 30 DFEDLO Cc1cc(N2CCN(CC(F)(F)F)[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301873152 427831691 /nfs/dbraw/zinc/83/16/91/427831691.db2.gz JILVSIYBWBWFJX-NSHDSACASA-N 1 2 312.339 2.643 20 30 DFEDLO N#Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000339818652 427834991 /nfs/dbraw/zinc/83/49/91/427834991.db2.gz RMSLIBZXQGYRJZ-UHFFFAOYSA-N 1 2 314.348 2.947 20 30 DFEDLO N#Cc1nc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000302748903 427864714 /nfs/dbraw/zinc/86/47/14/427864714.db2.gz ULXXROFJUBLHOC-UHFFFAOYSA-N 1 2 312.333 2.561 20 30 DFEDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C#N)cc1F)n2C ZINC000349806800 427868402 /nfs/dbraw/zinc/86/84/02/427868402.db2.gz ZYRIOVILCXUXCM-UHFFFAOYSA-N 1 2 324.359 2.882 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388008 427879308 /nfs/dbraw/zinc/87/93/08/427879308.db2.gz GBJBDQMPJXNIJI-FUHWJXTLSA-N 1 2 320.383 2.792 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388008 427879314 /nfs/dbraw/zinc/87/93/14/427879314.db2.gz GBJBDQMPJXNIJI-FUHWJXTLSA-N 1 2 320.383 2.792 20 30 DFEDLO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C#N)cc1 ZINC000355794008 427896789 /nfs/dbraw/zinc/89/67/89/427896789.db2.gz YRRWHSIXXDUHJW-UHFFFAOYSA-N 1 2 313.361 2.612 20 30 DFEDLO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C#N)cc1 ZINC000355794008 427896794 /nfs/dbraw/zinc/89/67/94/427896794.db2.gz YRRWHSIXXDUHJW-UHFFFAOYSA-N 1 2 313.361 2.612 20 30 DFEDLO C=CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(OC)cc1 ZINC000355806284 427901318 /nfs/dbraw/zinc/90/13/18/427901318.db2.gz WHJNDYFYCIXFEM-UHFFFAOYSA-N 1 2 316.361 2.525 20 30 DFEDLO C=CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(OC)cc1 ZINC000355806284 427901324 /nfs/dbraw/zinc/90/13/24/427901324.db2.gz WHJNDYFYCIXFEM-UHFFFAOYSA-N 1 2 316.361 2.525 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000340102954 427926405 /nfs/dbraw/zinc/92/64/05/427926405.db2.gz AJCOFCBKALTBAJ-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)C#N)cn2c1 ZINC000359649342 427955420 /nfs/dbraw/zinc/95/54/20/427955420.db2.gz LZPAQGJRFFVDAS-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1ccccc1 ZINC000337567460 427962431 /nfs/dbraw/zinc/96/24/31/427962431.db2.gz BUAGCWHDTWXIOV-VQIMIIECSA-N 1 2 321.424 2.914 20 30 DFEDLO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000359685036 427973733 /nfs/dbraw/zinc/97/37/33/427973733.db2.gz YXYCEZDITAZYOV-IUODEOHRSA-N 1 2 305.422 2.743 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369542674 427995844 /nfs/dbraw/zinc/99/58/44/427995844.db2.gz WNJQRGARDWVPRD-ZWKOTPCHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000369542674 427995852 /nfs/dbraw/zinc/99/58/52/427995852.db2.gz WNJQRGARDWVPRD-ZWKOTPCHSA-N 1 2 318.392 2.857 20 30 DFEDLO CC(C)C[N@H+](Cc1nnnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000355874076 427931455 /nfs/dbraw/zinc/93/14/55/427931455.db2.gz RTFGREGVUSNVJD-UHFFFAOYSA-N 1 2 312.421 2.784 20 30 DFEDLO CC(C)C[N@@H+](Cc1nnnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000355874076 427931463 /nfs/dbraw/zinc/93/14/63/427931463.db2.gz RTFGREGVUSNVJD-UHFFFAOYSA-N 1 2 312.421 2.784 20 30 DFEDLO C=C(CNC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000350113759 427933838 /nfs/dbraw/zinc/93/38/38/427933838.db2.gz KHRXRHMCCINDMW-UHFFFAOYSA-N 1 2 320.396 2.889 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369542673 427994535 /nfs/dbraw/zinc/99/45/35/427994535.db2.gz WNJQRGARDWVPRD-ROUUACIJSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369542673 427994539 /nfs/dbraw/zinc/99/45/39/427994539.db2.gz WNJQRGARDWVPRD-ROUUACIJSA-N 1 2 318.392 2.857 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc(C#N)o1)CCCC2 ZINC000350553501 427942973 /nfs/dbraw/zinc/94/29/73/427942973.db2.gz FLWBDBLGCIVHBO-HNNXBMFYSA-N 1 2 324.384 2.741 20 30 DFEDLO C=C(C)C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369723491 428043382 /nfs/dbraw/zinc/04/33/82/428043382.db2.gz QOLIWJBPBGQDQU-UHFFFAOYSA-N 1 2 317.252 2.765 20 30 DFEDLO C#CC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000369744926 428050394 /nfs/dbraw/zinc/05/03/94/428050394.db2.gz SLXROUZQKUTPQD-OAHLLOKOSA-N 1 2 314.433 2.673 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000359883399 428060041 /nfs/dbraw/zinc/06/00/41/428060041.db2.gz LPZRHMJOYRSOOS-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000359883399 428060046 /nfs/dbraw/zinc/06/00/46/428060046.db2.gz LPZRHMJOYRSOOS-CQSZACIVSA-N 1 2 321.380 2.780 20 30 DFEDLO N#Cc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000356074367 428012317 /nfs/dbraw/zinc/01/23/17/428012317.db2.gz QBXDFIAVCKEUIP-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)C1=O ZINC000356328001 428128320 /nfs/dbraw/zinc/12/83/20/428128320.db2.gz ZRPDAJRUSSYLRF-LBPRGKRZSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C1=O ZINC000356328001 428128326 /nfs/dbraw/zinc/12/83/26/428128326.db2.gz ZRPDAJRUSSYLRF-LBPRGKRZSA-N 1 2 318.364 2.986 20 30 DFEDLO C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000360000429 428110263 /nfs/dbraw/zinc/11/02/63/428110263.db2.gz LBPTXRSHLIIDAT-CQSZACIVSA-N 1 2 322.412 2.553 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000351964502 428120036 /nfs/dbraw/zinc/12/00/36/428120036.db2.gz MNZBLELKZBWVLT-UHFFFAOYSA-N 1 2 311.316 2.771 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000360070393 428142842 /nfs/dbraw/zinc/14/28/42/428142842.db2.gz HQFCKYLSRIDYNB-LXZKKBNFSA-N 1 2 323.400 2.925 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488438 428222507 /nfs/dbraw/zinc/22/25/07/428222507.db2.gz PFVRCYXACJTKNZ-SJORKVTESA-N 1 2 315.392 2.964 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488438 428222515 /nfs/dbraw/zinc/22/25/15/428222515.db2.gz PFVRCYXACJTKNZ-SJORKVTESA-N 1 2 315.392 2.964 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(C#N)c(F)c1 ZINC000414176752 428225811 /nfs/dbraw/zinc/22/58/11/428225811.db2.gz ICQKBHOXHUMGIF-JTQLQIEISA-N 1 2 301.369 2.964 20 30 DFEDLO Cc1nsc(NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000341844214 428229074 /nfs/dbraw/zinc/22/90/74/428229074.db2.gz UQRYZUZOMCAHIL-UHFFFAOYSA-N 1 2 309.398 3.395 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468795 428191534 /nfs/dbraw/zinc/19/15/34/428191534.db2.gz COUDQUWYRWQLHK-STQMWFEESA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000356468795 428191537 /nfs/dbraw/zinc/19/15/37/428191537.db2.gz COUDQUWYRWQLHK-STQMWFEESA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468103 428192806 /nfs/dbraw/zinc/19/28/06/428192806.db2.gz BZUKALKZGWZOMD-ZIAGYGMSSA-N 1 2 305.397 2.654 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000356468103 428192809 /nfs/dbraw/zinc/19/28/09/428192809.db2.gz BZUKALKZGWZOMD-ZIAGYGMSSA-N 1 2 305.397 2.654 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352685515 428204159 /nfs/dbraw/zinc/20/41/59/428204159.db2.gz IWGIGEWBKXZGCZ-JSGCOSHPSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352685515 428204166 /nfs/dbraw/zinc/20/41/66/428204166.db2.gz IWGIGEWBKXZGCZ-JSGCOSHPSA-N 1 2 316.298 2.690 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000341979409 428267888 /nfs/dbraw/zinc/26/78/88/428267888.db2.gz OOMDAYKZNHWHGF-UHFFFAOYSA-N 1 2 324.222 2.596 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)n1 ZINC000352839200 428274595 /nfs/dbraw/zinc/27/45/95/428274595.db2.gz IVGPCGIZUOVNDY-UHFFFAOYSA-N 1 2 309.398 2.549 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370589353 428245871 /nfs/dbraw/zinc/24/58/71/428245871.db2.gz PRIIKGITWJPXHK-KRWDZBQOSA-N 1 2 315.804 2.716 20 30 DFEDLO Cc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)ccc1C#N ZINC000414507586 428324795 /nfs/dbraw/zinc/32/47/95/428324795.db2.gz PRTFOLYQPGCCTQ-UHFFFAOYSA-N 1 2 306.291 2.965 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000371390674 428390285 /nfs/dbraw/zinc/39/02/85/428390285.db2.gz XNQXUDZBAUPBGA-UHFFFAOYSA-N 1 2 304.781 2.639 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000371640364 428398608 /nfs/dbraw/zinc/39/86/08/428398608.db2.gz OEMRSRCUMGEPPW-CQSZACIVSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000371640364 428398613 /nfs/dbraw/zinc/39/86/13/428398613.db2.gz OEMRSRCUMGEPPW-CQSZACIVSA-N 1 2 312.398 2.618 20 30 DFEDLO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371681383 428401123 /nfs/dbraw/zinc/40/11/23/428401123.db2.gz QIHVQHQLCXLSPO-KSSFIOAISA-N 1 2 301.409 2.819 20 30 DFEDLO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371681383 428401130 /nfs/dbraw/zinc/40/11/30/428401130.db2.gz QIHVQHQLCXLSPO-KSSFIOAISA-N 1 2 301.409 2.819 20 30 DFEDLO C=CCCCN(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000347008688 428409083 /nfs/dbraw/zinc/40/90/83/428409083.db2.gz GDVNIZWYGMSUAB-UHFFFAOYSA-N 1 2 304.316 2.553 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC2(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000353162752 428410956 /nfs/dbraw/zinc/41/09/56/428410956.db2.gz BHRLEAJYBJMQNV-QWRGUYRKSA-N 1 2 318.339 2.742 20 30 DFEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000353162752 428410963 /nfs/dbraw/zinc/41/09/63/428410963.db2.gz BHRLEAJYBJMQNV-QWRGUYRKSA-N 1 2 318.339 2.742 20 30 DFEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000378351184 428375831 /nfs/dbraw/zinc/37/58/31/428375831.db2.gz WDQXYFZLKKMBIF-KRWDZBQOSA-N 1 2 310.353 2.814 20 30 DFEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000378351184 428375836 /nfs/dbraw/zinc/37/58/36/428375836.db2.gz WDQXYFZLKKMBIF-KRWDZBQOSA-N 1 2 310.353 2.814 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000353292113 428470893 /nfs/dbraw/zinc/47/08/93/428470893.db2.gz YZOPFKFWYIFQFM-CHWSQXEVSA-N 1 2 307.825 2.999 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000353292113 428470897 /nfs/dbraw/zinc/47/08/97/428470897.db2.gz YZOPFKFWYIFQFM-CHWSQXEVSA-N 1 2 307.825 2.999 20 30 DFEDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000372124017 428416548 /nfs/dbraw/zinc/41/65/48/428416548.db2.gz HQMAZGNJXKGFKD-MAUKXSAKSA-N 1 2 318.417 2.603 20 30 DFEDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000372124017 428416555 /nfs/dbraw/zinc/41/65/55/428416555.db2.gz HQMAZGNJXKGFKD-MAUKXSAKSA-N 1 2 318.417 2.603 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000342386387 428424815 /nfs/dbraw/zinc/42/48/15/428424815.db2.gz PIDUORKWHJFIRM-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000342968369 428494051 /nfs/dbraw/zinc/49/40/51/428494051.db2.gz XPYNSXBIEHDJRA-UHFFFAOYSA-N 1 2 305.422 2.879 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342968369 428494057 /nfs/dbraw/zinc/49/40/57/428494057.db2.gz XPYNSXBIEHDJRA-UHFFFAOYSA-N 1 2 305.422 2.879 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000372739429 428499261 /nfs/dbraw/zinc/49/92/61/428499261.db2.gz KMHSRGLGUIUKLC-UHFFFAOYSA-N 1 2 315.392 2.578 20 30 DFEDLO COCC[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1OC ZINC000347274494 428524468 /nfs/dbraw/zinc/52/44/68/428524468.db2.gz OZHCFCKULDJWFQ-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1OC ZINC000347274494 428524473 /nfs/dbraw/zinc/52/44/73/428524473.db2.gz OZHCFCKULDJWFQ-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(F)c(C#N)c3)[nH+]c2c1 ZINC000343172495 428528836 /nfs/dbraw/zinc/52/88/36/428528836.db2.gz TVLKLZQZYRUONF-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OC ZINC000361649280 428584432 /nfs/dbraw/zinc/58/44/32/428584432.db2.gz ZJHKBFMWBSMPPL-KOBKJTCASA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1OC ZINC000361649280 428584435 /nfs/dbraw/zinc/58/44/35/428584435.db2.gz ZJHKBFMWBSMPPL-KOBKJTCASA-N 1 2 323.458 2.601 20 30 DFEDLO CC#CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000361645824 428585141 /nfs/dbraw/zinc/58/51/41/428585141.db2.gz FNJMKYAFAWCYHH-ROUUACIJSA-N 1 2 322.412 2.824 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000361646624 428586681 /nfs/dbraw/zinc/58/66/81/428586681.db2.gz HSIXBHRHULRLOE-CQSZACIVSA-N 1 2 305.447 2.550 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)C(=O)OC ZINC000361108208 428537380 /nfs/dbraw/zinc/53/73/80/428537380.db2.gz JUTIAYGPQWNZGA-LNLFQRSKSA-N 1 2 317.429 2.831 20 30 DFEDLO C[C@H]1CCCN(c2cc(N3CCC(F)(C#N)CC3)[nH+]cn2)C1 ZINC000343235291 428538958 /nfs/dbraw/zinc/53/89/58/428538958.db2.gz PCSPMKGRFIZYJJ-ZDUSSCGKSA-N 1 2 303.385 2.545 20 30 DFEDLO C[C@H]1CCCN(c2cc(N3CCC(F)(C#N)CC3)nc[nH+]2)C1 ZINC000343235291 428538962 /nfs/dbraw/zinc/53/89/62/428538962.db2.gz PCSPMKGRFIZYJJ-ZDUSSCGKSA-N 1 2 303.385 2.545 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)CCC2 ZINC000373325468 428549760 /nfs/dbraw/zinc/54/97/60/428549760.db2.gz PMNNXCLVCCXPQH-GFCCVEGCSA-N 1 2 311.345 2.961 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1F ZINC000353472705 428554847 /nfs/dbraw/zinc/55/48/47/428554847.db2.gz PPYOAWCFWNNQLC-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1F ZINC000353472705 428554851 /nfs/dbraw/zinc/55/48/51/428554851.db2.gz PPYOAWCFWNNQLC-UHFFFAOYSA-N 1 2 317.389 2.507 20 30 DFEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1nc(C#N)cs1 ZINC000357696284 428555632 /nfs/dbraw/zinc/55/56/32/428555632.db2.gz GFUHLUIVJAWVHJ-UHFFFAOYSA-N 1 2 301.350 3.136 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751750 428561039 /nfs/dbraw/zinc/56/10/39/428561039.db2.gz DUPJNDCULVMVAR-CABCVRRESA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751750 428561043 /nfs/dbraw/zinc/56/10/43/428561043.db2.gz DUPJNDCULVMVAR-CABCVRRESA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000357831085 428564331 /nfs/dbraw/zinc/56/43/31/428564331.db2.gz OJTYGTLZNYEJHX-FZMZJTMJSA-N 1 2 323.799 2.892 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CC1 ZINC000353512195 428572197 /nfs/dbraw/zinc/57/21/97/428572197.db2.gz QGRMHSWPEUAROK-CQSZACIVSA-N 1 2 313.336 2.704 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000373557436 428605158 /nfs/dbraw/zinc/60/51/58/428605158.db2.gz XTEQVRTWIDZDOG-HUUCEWRRSA-N 1 2 317.433 2.730 20 30 DFEDLO Cn1cnnc1C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000347654817 428621245 /nfs/dbraw/zinc/62/12/45/428621245.db2.gz SVMCNDBMOFQLDT-UHFFFAOYSA-N 1 2 317.396 2.986 20 30 DFEDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000347654817 428621248 /nfs/dbraw/zinc/62/12/48/428621248.db2.gz SVMCNDBMOFQLDT-UHFFFAOYSA-N 1 2 317.396 2.986 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000347705175 428622183 /nfs/dbraw/zinc/62/21/83/428622183.db2.gz MEADALYTRGBGKP-CMPLNLGQSA-N 1 2 307.781 2.569 20 30 DFEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000347707618 428623292 /nfs/dbraw/zinc/62/32/92/428623292.db2.gz QRMYNQVELYWFOH-WCQYABFASA-N 1 2 321.808 2.877 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000347711170 428623395 /nfs/dbraw/zinc/62/33/95/428623395.db2.gz YRLUDYPAVLAZNZ-NHYWBVRUSA-N 1 2 302.328 2.932 20 30 DFEDLO COc1cc(CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)ccc1C#N ZINC000353630680 428631130 /nfs/dbraw/zinc/63/11/30/428631130.db2.gz NGYJMUIVGGSCHD-QGZVFWFLSA-N 1 2 319.368 2.564 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112459 428639601 /nfs/dbraw/zinc/63/96/01/428639601.db2.gz FXIHCLRSDBXMAX-KBPBESRZSA-N 1 2 307.438 2.896 20 30 DFEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)CC1(C#N)CC1 ZINC000348112459 428639608 /nfs/dbraw/zinc/63/96/08/428639608.db2.gz FXIHCLRSDBXMAX-KBPBESRZSA-N 1 2 307.438 2.896 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C1CC1 ZINC000348209668 428658795 /nfs/dbraw/zinc/65/87/95/428658795.db2.gz ZRBACQFBABXFDR-HNNXBMFYSA-N 1 2 309.373 2.759 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1(CC#N)CC1 ZINC000374021630 428660075 /nfs/dbraw/zinc/66/00/75/428660075.db2.gz GOWCBZNVUYHKAG-AWEZNQCLSA-N 1 2 315.421 2.833 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000374582554 428703888 /nfs/dbraw/zinc/70/38/88/428703888.db2.gz DBUOMGLWXLBZSY-HNNXBMFYSA-N 1 2 303.381 2.629 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000374582554 428703893 /nfs/dbraw/zinc/70/38/93/428703893.db2.gz DBUOMGLWXLBZSY-HNNXBMFYSA-N 1 2 303.381 2.629 20 30 DFEDLO CC1=C(c2ccco2)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000374618860 428714924 /nfs/dbraw/zinc/71/49/24/428714924.db2.gz MSNWBGZFAUIOFB-GOSISDBHSA-N 1 2 313.401 2.567 20 30 DFEDLO CC1=C(c2ccco2)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000374618860 428714930 /nfs/dbraw/zinc/71/49/30/428714930.db2.gz MSNWBGZFAUIOFB-GOSISDBHSA-N 1 2 313.401 2.567 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000416340567 428720728 /nfs/dbraw/zinc/72/07/28/428720728.db2.gz KNAXOXLBEYPDNV-YJBOKZPZSA-N 1 2 320.396 2.511 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000362371328 428723210 /nfs/dbraw/zinc/72/32/10/428723210.db2.gz QLPLFCSYLBVUQW-RISCZKNCSA-N 1 2 302.353 2.522 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000348392767 428729318 /nfs/dbraw/zinc/72/93/18/428729318.db2.gz ISNMWOBSGNIJPB-UHFFFAOYSA-N 1 2 301.733 2.545 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCn1cc[nH+]c1 ZINC000416396563 428731081 /nfs/dbraw/zinc/73/10/81/428731081.db2.gz CVTRUHPAVWAURK-KRWDZBQOSA-N 1 2 323.400 2.522 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000374367749 428676986 /nfs/dbraw/zinc/67/69/86/428676986.db2.gz XBPNARHRJSKEEV-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000374367749 428676993 /nfs/dbraw/zinc/67/69/93/428676993.db2.gz XBPNARHRJSKEEV-KUHUBIRLSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(CC)CC ZINC000411199351 428759679 /nfs/dbraw/zinc/75/96/79/428759679.db2.gz ZJQWSDYCBZIXNK-AWEZNQCLSA-N 1 2 319.405 2.840 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(CC)CC ZINC000411199351 428759682 /nfs/dbraw/zinc/75/96/82/428759682.db2.gz ZJQWSDYCBZIXNK-AWEZNQCLSA-N 1 2 319.405 2.840 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858766 428764720 /nfs/dbraw/zinc/76/47/20/428764720.db2.gz RNPNUGYYFRWTDP-ZDUSSCGKSA-N 1 2 300.171 2.628 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858766 428764723 /nfs/dbraw/zinc/76/47/23/428764723.db2.gz RNPNUGYYFRWTDP-ZDUSSCGKSA-N 1 2 300.171 2.628 20 30 DFEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411262353 428766972 /nfs/dbraw/zinc/76/69/72/428766972.db2.gz CLEWZDAGKJRYQF-CQSZACIVSA-N 1 2 312.479 2.748 20 30 DFEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411262353 428766975 /nfs/dbraw/zinc/76/69/75/428766975.db2.gz CLEWZDAGKJRYQF-CQSZACIVSA-N 1 2 312.479 2.748 20 30 DFEDLO N#CC1(CC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411366518 428784939 /nfs/dbraw/zinc/78/49/39/428784939.db2.gz FFHSQOOPRFFAOS-HNNXBMFYSA-N 1 2 310.463 2.502 20 30 DFEDLO N#CC1(CC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000411366518 428784943 /nfs/dbraw/zinc/78/49/43/428784943.db2.gz FFHSQOOPRFFAOS-HNNXBMFYSA-N 1 2 310.463 2.502 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000353962611 428795177 /nfs/dbraw/zinc/79/51/77/428795177.db2.gz SJLPDAFLUKHDFC-UHFFFAOYSA-N 1 2 310.401 2.899 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1ccc(S(C)(=O)=O)o1 ZINC000411491090 428804528 /nfs/dbraw/zinc/80/45/28/428804528.db2.gz NPBXCUDFZKJHFT-UHFFFAOYSA-N 1 2 309.387 2.507 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1ccc(S(C)(=O)=O)o1 ZINC000411491090 428804533 /nfs/dbraw/zinc/80/45/33/428804533.db2.gz NPBXCUDFZKJHFT-UHFFFAOYSA-N 1 2 309.387 2.507 20 30 DFEDLO N#Cc1cc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000375126456 428806051 /nfs/dbraw/zinc/80/60/51/428806051.db2.gz PPUCIAGPTICMNM-OAHLLOKOSA-N 1 2 323.356 2.942 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000411500834 428809447 /nfs/dbraw/zinc/80/94/47/428809447.db2.gz GBHFWGGRSRPKFH-HOTGVXAUSA-N 1 2 322.449 2.798 20 30 DFEDLO COc1cc2c(c(C[NH+]3CCC(F)(C#N)CC3)c1)O[C@H](C)C2 ZINC000348710554 428818755 /nfs/dbraw/zinc/81/87/55/428818755.db2.gz DDCGVDZZRQPDSD-GFCCVEGCSA-N 1 2 304.365 2.846 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)s2)c[nH+]1 ZINC000362950528 428820045 /nfs/dbraw/zinc/82/00/45/428820045.db2.gz DKDSSGYPKYFWOF-UHFFFAOYSA-N 1 2 314.414 2.791 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc(C#N)[nH]2)n1 ZINC000359135067 428835178 /nfs/dbraw/zinc/83/51/78/428835178.db2.gz YQTNBWZLRFNFMU-UHFFFAOYSA-N 1 2 318.340 2.837 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354044757 428838143 /nfs/dbraw/zinc/83/81/43/428838143.db2.gz MNAOBOCKFKKXLZ-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354044757 428838148 /nfs/dbraw/zinc/83/81/48/428838148.db2.gz MNAOBOCKFKKXLZ-GFCCVEGCSA-N 1 2 304.390 2.836 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363185086 428877125 /nfs/dbraw/zinc/87/71/25/428877125.db2.gz OXYCVXKLMFTOPZ-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000363185086 428877128 /nfs/dbraw/zinc/87/71/28/428877128.db2.gz OXYCVXKLMFTOPZ-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000363215696 428884152 /nfs/dbraw/zinc/88/41/52/428884152.db2.gz MJEAYXKQRVXBLQ-HNNXBMFYSA-N 1 2 312.373 2.720 20 30 DFEDLO CCc1nc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000363215696 428884158 /nfs/dbraw/zinc/88/41/58/428884158.db2.gz MJEAYXKQRVXBLQ-HNNXBMFYSA-N 1 2 312.373 2.720 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1csc(C)n1 ZINC000354245956 428936809 /nfs/dbraw/zinc/93/68/09/428936809.db2.gz XMJXIMATABHVHS-UHFFFAOYSA-N 1 2 317.414 2.843 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1csc(C)n1 ZINC000354245956 428936815 /nfs/dbraw/zinc/93/68/15/428936815.db2.gz XMJXIMATABHVHS-UHFFFAOYSA-N 1 2 317.414 2.843 20 30 DFEDLO CN(C(=O)NCC1(C#N)CCC1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000419648465 428940550 /nfs/dbraw/zinc/94/05/50/428940550.db2.gz SHUSYYAOIXUUHO-OAHLLOKOSA-N 1 2 323.400 2.834 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000375785157 428972243 /nfs/dbraw/zinc/97/22/43/428972243.db2.gz AQOOLIWYVIEDHD-QGZVFWFLSA-N 1 2 313.380 2.743 20 30 DFEDLO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000375785157 428972247 /nfs/dbraw/zinc/97/22/47/428972247.db2.gz AQOOLIWYVIEDHD-QGZVFWFLSA-N 1 2 313.380 2.743 20 30 DFEDLO CN(C)c1ccc(CNc2c(C#N)nnc3ccccc32)c[nH+]1 ZINC000354310286 428963095 /nfs/dbraw/zinc/96/30/95/428963095.db2.gz DTJSDJZEENTDTE-UHFFFAOYSA-N 1 2 304.357 2.575 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNc1cc(C#N)c2ccccc2n1 ZINC000433401402 429030173 /nfs/dbraw/zinc/03/01/73/429030173.db2.gz RXQHHDIRGNMCTP-UHFFFAOYSA-N 1 2 305.385 3.571 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1=O ZINC000451976515 429030404 /nfs/dbraw/zinc/03/04/04/429030404.db2.gz YKSLFUVZWJDVSF-CVEARBPZSA-N 1 2 306.356 2.889 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1=O ZINC000451976515 429030409 /nfs/dbraw/zinc/03/04/09/429030409.db2.gz YKSLFUVZWJDVSF-CVEARBPZSA-N 1 2 306.356 2.889 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C#N)Cc1ccccc1Cl ZINC000354473604 428991711 /nfs/dbraw/zinc/99/17/11/428991711.db2.gz GLOVAPHTXNPMMQ-XJKSGUPXSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1C#N)Cc1ccccc1Cl ZINC000354473604 428991716 /nfs/dbraw/zinc/99/17/16/428991716.db2.gz GLOVAPHTXNPMMQ-XJKSGUPXSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C#N)Cc1ccccc1Cl ZINC000354473598 428991807 /nfs/dbraw/zinc/99/18/07/428991807.db2.gz GLOVAPHTXNPMMQ-CJNGLKHVSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H]1CCC[C@@H]1C#N)Cc1ccccc1Cl ZINC000354473598 428991811 /nfs/dbraw/zinc/99/18/11/428991811.db2.gz GLOVAPHTXNPMMQ-CJNGLKHVSA-N 1 2 319.836 2.970 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccccc1F ZINC000349483639 428992781 /nfs/dbraw/zinc/99/27/81/428992781.db2.gz JLRPMWNJFGINLE-MRXNPFEDSA-N 1 2 322.343 2.865 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846777 428997629 /nfs/dbraw/zinc/99/76/29/428997629.db2.gz WZLKBXJWZSJRLE-IAGOWNOFSA-N 1 2 315.417 2.861 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846777 428997634 /nfs/dbraw/zinc/99/76/34/428997634.db2.gz WZLKBXJWZSJRLE-IAGOWNOFSA-N 1 2 315.417 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000453627318 429154485 /nfs/dbraw/zinc/15/44/85/429154485.db2.gz VTIFVSWXZFWJFY-OAHLLOKOSA-N 1 2 307.419 2.568 20 30 DFEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000453627318 429154494 /nfs/dbraw/zinc/15/44/94/429154494.db2.gz VTIFVSWXZFWJFY-OAHLLOKOSA-N 1 2 307.419 2.568 20 30 DFEDLO N#Cc1c(F)ccc(C[NH2+][C@H]2CCCn3ncnc32)c1Cl ZINC000376457554 429116310 /nfs/dbraw/zinc/11/63/10/429116310.db2.gz HTOFBGMXAIEHOV-LBPRGKRZSA-N 1 2 305.744 2.567 20 30 DFEDLO CC(=Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336920 429131595 /nfs/dbraw/zinc/13/15/95/429131595.db2.gz RVKYTIFAVJNTJM-BJMVGYQFSA-N 1 2 323.381 2.758 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363921036 429141118 /nfs/dbraw/zinc/14/11/18/429141118.db2.gz KFALMDFUHQRLNI-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000363921036 429141120 /nfs/dbraw/zinc/14/11/20/429141120.db2.gz KFALMDFUHQRLNI-KRWDZBQOSA-N 1 2 315.392 2.674 20 30 DFEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000454531822 429167005 /nfs/dbraw/zinc/16/70/05/429167005.db2.gz GZPQOYVPMWIYCV-UHFFFAOYSA-N 1 2 317.433 2.853 20 30 DFEDLO C=C(C)CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000454609186 429169559 /nfs/dbraw/zinc/16/95/59/429169559.db2.gz JVUHWEJFQSDWKV-UHFFFAOYSA-N 1 2 312.417 2.891 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000424669920 429172765 /nfs/dbraw/zinc/17/27/65/429172765.db2.gz UXKWLSDSHGSXRA-UHFFFAOYSA-N 1 2 307.463 2.698 20 30 DFEDLO COc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1C#N ZINC000440822273 429228286 /nfs/dbraw/zinc/22/82/86/429228286.db2.gz PCQFMWFULQBPFH-OAHLLOKOSA-N 1 2 318.323 2.668 20 30 DFEDLO CC(C)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441145743 429229704 /nfs/dbraw/zinc/22/97/04/429229704.db2.gz MDYWQYHAGQTPPU-UHFFFAOYSA-N 1 2 318.848 2.928 20 30 DFEDLO COc1cc2c(cc1OC)CCN(c1cc(C)[nH+]cc1C#N)CC2 ZINC000425214611 429247199 /nfs/dbraw/zinc/24/71/99/429247199.db2.gz JZBSPFUDOCAMQI-UHFFFAOYSA-N 1 2 323.396 2.884 20 30 DFEDLO Cc1cc(N2CCN(c3cc(F)ccc3F)CC2)c(C#N)c[nH+]1 ZINC000425226001 429247934 /nfs/dbraw/zinc/24/79/34/429247934.db2.gz HAWBGEXVJBZDMP-UHFFFAOYSA-N 1 2 314.339 2.867 20 30 DFEDLO Cc1cc(N2CCC[C@H](CC(=O)OC(C)C)C2)c(C#N)c[nH+]1 ZINC000425238085 429250049 /nfs/dbraw/zinc/25/00/49/429250049.db2.gz IESYUUKYLLSGRX-CQSZACIVSA-N 1 2 301.390 2.820 20 30 DFEDLO N#Cc1c2c(cnc1NCCCCNc1cccc[nH+]1)CCC2 ZINC000425234670 429250275 /nfs/dbraw/zinc/25/02/75/429250275.db2.gz ZCNFJMWOBRFLSC-UHFFFAOYSA-N 1 2 307.401 3.141 20 30 DFEDLO COc1cc2c(cc1CNc1cc(C)[nH+]cc1C#N)O[C@H](C)C2 ZINC000425245302 429251306 /nfs/dbraw/zinc/25/13/06/429251306.db2.gz WLJGHIXRWBVMAV-GFCCVEGCSA-N 1 2 309.369 2.628 20 30 DFEDLO Cc1cc(NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c(C#N)c[nH+]1 ZINC000425259314 429253765 /nfs/dbraw/zinc/25/37/65/429253765.db2.gz UYZLKWJZGODUQA-HNAYVOBHSA-N 1 2 309.413 2.725 20 30 DFEDLO CCOC(=O)[C@@]1(C(C)C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425264884 429253878 /nfs/dbraw/zinc/25/38/78/429253878.db2.gz YDCBQQUGWPRCBA-KRWDZBQOSA-N 1 2 301.390 2.677 20 30 DFEDLO Cc1cc(NC[C@@H](CO)c2ccccc2Cl)c(C#N)c[nH+]1 ZINC000425265887 429254547 /nfs/dbraw/zinc/25/45/47/429254547.db2.gz FZOUPPTZQRBCBT-ZDUSSCGKSA-N 1 2 301.777 2.525 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000425328313 429263515 /nfs/dbraw/zinc/26/35/15/429263515.db2.gz UAVZWCVEECTJRN-LJQANCHMSA-N 1 2 323.444 2.846 20 30 DFEDLO N#C[C@H]1CC[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425322064 429263676 /nfs/dbraw/zinc/26/36/76/429263676.db2.gz ILAMQSKTNDERCB-NUEKZKHPSA-N 1 2 308.385 2.740 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)nn1 ZINC000425355725 429273191 /nfs/dbraw/zinc/27/31/91/429273191.db2.gz PCTJFWJMGQVLJY-UHFFFAOYSA-N 1 2 322.796 2.512 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1OC ZINC000365440713 429318780 /nfs/dbraw/zinc/31/87/80/429318780.db2.gz DKFUINUUJQNNER-PEBXRYMYSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1OC ZINC000365440713 429318783 /nfs/dbraw/zinc/31/87/83/429318783.db2.gz DKFUINUUJQNNER-PEBXRYMYSA-N 1 2 323.458 2.603 20 30 DFEDLO C[C@H](C#N)C[N@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038156 429323121 /nfs/dbraw/zinc/32/31/21/429323121.db2.gz RYMSBLIKIPJDRC-ZIAGYGMSSA-N 1 2 320.458 2.818 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038156 429323124 /nfs/dbraw/zinc/32/31/24/429323124.db2.gz RYMSBLIKIPJDRC-ZIAGYGMSSA-N 1 2 320.458 2.818 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000491073002 429323487 /nfs/dbraw/zinc/32/34/87/429323487.db2.gz WWXMZHTWBPYOAZ-UHFFFAOYSA-N 1 2 308.381 2.769 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000491073002 429323491 /nfs/dbraw/zinc/32/34/91/429323491.db2.gz WWXMZHTWBPYOAZ-UHFFFAOYSA-N 1 2 308.381 2.769 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(OC)n1 ZINC000449017460 429324140 /nfs/dbraw/zinc/32/41/40/429324140.db2.gz HLPVYRZJCRDNOT-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(OC)n1 ZINC000449017460 429324145 /nfs/dbraw/zinc/32/41/45/429324145.db2.gz HLPVYRZJCRDNOT-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000365465694 429324581 /nfs/dbraw/zinc/32/45/81/429324581.db2.gz SYJWFVRADBSBME-OZSKJFCKSA-N 1 2 320.396 2.711 20 30 DFEDLO CN(C)c1cc(NC(=O)CCCC#N)[nH+]cc1Br ZINC000456668243 429335924 /nfs/dbraw/zinc/33/59/24/429335924.db2.gz NGKSPIVRVFONFQ-UHFFFAOYSA-N 1 2 311.183 2.542 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000449156487 429345329 /nfs/dbraw/zinc/34/53/29/429345329.db2.gz DNEARGGBIDQDFK-UHFFFAOYSA-N 1 2 313.445 2.862 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@H](C)O1 ZINC000446073772 429296678 /nfs/dbraw/zinc/29/66/78/429296678.db2.gz USFCQNCNVQRSON-AGIUHOORSA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@H](C)O1 ZINC000446073772 429296683 /nfs/dbraw/zinc/29/66/83/429296683.db2.gz USFCQNCNVQRSON-AGIUHOORSA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)[C@H](C)O1 ZINC000446073775 429297068 /nfs/dbraw/zinc/29/70/68/429297068.db2.gz USFCQNCNVQRSON-UPJWGTAASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)[C@H](C)O1 ZINC000446073775 429297076 /nfs/dbraw/zinc/29/70/76/429297076.db2.gz USFCQNCNVQRSON-UPJWGTAASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456395282 429297688 /nfs/dbraw/zinc/29/76/88/429297688.db2.gz SKRPAFYLXIRYBV-RISCZKNCSA-N 1 2 312.398 2.669 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973762 429300829 /nfs/dbraw/zinc/30/08/29/429300829.db2.gz FQZDPAPYFJRYQG-CVEARBPZSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000446973762 429300834 /nfs/dbraw/zinc/30/08/34/429300834.db2.gz FQZDPAPYFJRYQG-CVEARBPZSA-N 1 2 312.373 2.520 20 30 DFEDLO C#C[C@H](CCC)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490712275 429303064 /nfs/dbraw/zinc/30/30/64/429303064.db2.gz DMFPXOFQAWCTDG-LLVKDONJSA-N 1 2 305.328 2.541 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841669 429307329 /nfs/dbraw/zinc/30/73/29/429307329.db2.gz YMKVRDNGEWGYOI-XNJGSVPQSA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O2 ZINC000447841669 429307332 /nfs/dbraw/zinc/30/73/32/429307332.db2.gz YMKVRDNGEWGYOI-XNJGSVPQSA-N 1 2 320.820 2.980 20 30 DFEDLO C=CC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000448712277 429316241 /nfs/dbraw/zinc/31/62/41/429316241.db2.gz XYVPIAYIGFBRCT-ZIAGYGMSSA-N 1 2 317.433 2.524 20 30 DFEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496728096 429316322 /nfs/dbraw/zinc/31/63/22/429316322.db2.gz QFYCWPCYDOADHU-CYBMUJFWSA-N 1 2 322.434 2.504 20 30 DFEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496728096 429316325 /nfs/dbraw/zinc/31/63/25/429316325.db2.gz QFYCWPCYDOADHU-CYBMUJFWSA-N 1 2 322.434 2.504 20 30 DFEDLO COC(=O)c1csc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529361 429316927 /nfs/dbraw/zinc/31/69/27/429316927.db2.gz BIAWMNKBNPFRTB-NSHDSACASA-N 1 2 315.398 2.994 20 30 DFEDLO COC(=O)c1csc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529361 429316930 /nfs/dbraw/zinc/31/69/30/429316930.db2.gz BIAWMNKBNPFRTB-NSHDSACASA-N 1 2 315.398 2.994 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491710773 429395696 /nfs/dbraw/zinc/39/56/96/429395696.db2.gz YYVSHZJVHSEGAX-FUHWJXTLSA-N 1 2 324.428 2.904 20 30 DFEDLO CCC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365884590 429396357 /nfs/dbraw/zinc/39/63/57/429396357.db2.gz WWAXIRJJCZNPEM-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365884590 429396360 /nfs/dbraw/zinc/39/63/60/429396360.db2.gz WWAXIRJJCZNPEM-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491734113 429398938 /nfs/dbraw/zinc/39/89/38/429398938.db2.gz RRGBESUDCCWICA-GDBMZVCRSA-N 1 2 308.385 2.734 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000491744207 429400389 /nfs/dbraw/zinc/40/03/89/429400389.db2.gz YPKVCJPZWSFVEI-CZUORRHYSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@H]1COCCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491750930 429402321 /nfs/dbraw/zinc/40/23/21/429402321.db2.gz WACJWBPCWLFXIX-INIZCTEOSA-N 1 2 322.364 2.657 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766435 429405705 /nfs/dbraw/zinc/40/57/05/429405705.db2.gz HAFWIVKMLJCEDF-JSGCOSHPSA-N 1 2 324.346 2.932 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000491766435 429405708 /nfs/dbraw/zinc/40/57/08/429405708.db2.gz HAFWIVKMLJCEDF-JSGCOSHPSA-N 1 2 324.346 2.932 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(CC)c2)n1 ZINC000491782358 429407790 /nfs/dbraw/zinc/40/77/90/429407790.db2.gz LVINIEFIMXJBLX-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(CC)c2)n1 ZINC000491782358 429407792 /nfs/dbraw/zinc/40/77/92/429407792.db2.gz LVINIEFIMXJBLX-UHFFFAOYSA-N 1 2 311.429 2.727 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)C1CC1 ZINC000491788781 429408809 /nfs/dbraw/zinc/40/88/09/429408809.db2.gz YGJHREZKOAXGQS-UHFFFAOYSA-N 1 2 311.429 2.631 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)C1CC1 ZINC000491788781 429408814 /nfs/dbraw/zinc/40/88/14/429408814.db2.gz YGJHREZKOAXGQS-UHFFFAOYSA-N 1 2 311.429 2.631 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000456959194 429368835 /nfs/dbraw/zinc/36/88/35/429368835.db2.gz GHLYXUMABRUZLM-UHFFFAOYSA-N 1 2 307.344 2.782 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Br ZINC000516978077 429385630 /nfs/dbraw/zinc/38/56/30/429385630.db2.gz AFAAWCWAIQOPEN-SNVBAGLBSA-N 1 2 310.195 2.669 20 30 DFEDLO C[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1cccc(C#N)c1 ZINC000457288087 429439647 /nfs/dbraw/zinc/43/96/47/429439647.db2.gz APICAIWFLJMUIM-LLVKDONJSA-N 1 2 314.414 2.819 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)o1 ZINC000366276037 429445565 /nfs/dbraw/zinc/44/55/65/429445565.db2.gz XJDXDVVQRXXDOD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nnc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)o1 ZINC000366276037 429445569 /nfs/dbraw/zinc/44/55/69/429445569.db2.gz XJDXDVVQRXXDOD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cccc(C#N)c1C)C2 ZINC000366528165 429471257 /nfs/dbraw/zinc/47/12/57/429471257.db2.gz ZFCFIOVFVJPISX-UHFFFAOYSA-N 1 2 309.373 2.728 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491806732 429411842 /nfs/dbraw/zinc/41/18/42/429411842.db2.gz ASLDFIBKHGUEKM-CQSZACIVSA-N 1 2 314.364 2.613 20 30 DFEDLO Cc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)sc1SCC#N ZINC000518193998 429412453 /nfs/dbraw/zinc/41/24/53/429412453.db2.gz DNIRLZVCGCSBPT-SECBINFHSA-N 1 2 321.431 2.854 20 30 DFEDLO C=CCC[C@@H](NCc1c[nH+]c2cccc(C)n12)C(=O)OCC ZINC000449659202 429471539 /nfs/dbraw/zinc/47/15/39/429471539.db2.gz VJFNATZXOSYIME-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CCC[C@H](NCc1c[nH+]c2cccc(C)n12)C(=O)OCC ZINC000449659201 429472268 /nfs/dbraw/zinc/47/22/68/429472268.db2.gz VJFNATZXOSYIME-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366748320 429507380 /nfs/dbraw/zinc/50/73/80/429507380.db2.gz XZVFHWTUAOXBSB-AWEZNQCLSA-N 1 2 324.384 2.743 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000492408253 429530846 /nfs/dbraw/zinc/53/08/46/429530846.db2.gz MPOMPNXVELEXOS-LJTDUEICSA-N 1 2 310.357 2.846 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](C)O2 ZINC000428938971 429561019 /nfs/dbraw/zinc/56/10/19/429561019.db2.gz KRGLNINIUMPPDE-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(F)c1C#N)C[C@H](C)O2 ZINC000428938971 429561023 /nfs/dbraw/zinc/56/10/23/429561023.db2.gz KRGLNINIUMPPDE-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428951567 429563085 /nfs/dbraw/zinc/56/30/85/429563085.db2.gz JVPYRGNUUBLCKH-ZTFGCOKTSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428951567 429563088 /nfs/dbraw/zinc/56/30/88/429563088.db2.gz JVPYRGNUUBLCKH-ZTFGCOKTSA-N 1 2 318.392 2.713 20 30 DFEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367047269 429564857 /nfs/dbraw/zinc/56/48/57/429564857.db2.gz HGEISKOPEQOTPD-KRWDZBQOSA-N 1 2 320.400 2.667 20 30 DFEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367047269 429564862 /nfs/dbraw/zinc/56/48/62/429564862.db2.gz HGEISKOPEQOTPD-KRWDZBQOSA-N 1 2 320.400 2.667 20 30 DFEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C[C@]2(CCCOC2)O1 ZINC000428957674 429566016 /nfs/dbraw/zinc/56/60/16/429566016.db2.gz AKDHNDZKCQHBCA-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)C[C@]2(CCCOC2)O1 ZINC000428957674 429566021 /nfs/dbraw/zinc/56/60/21/429566021.db2.gz AKDHNDZKCQHBCA-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000522004856 429573769 /nfs/dbraw/zinc/57/37/69/429573769.db2.gz AKYKIZFAKNXPIK-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000522004856 429573774 /nfs/dbraw/zinc/57/37/74/429573774.db2.gz AKYKIZFAKNXPIK-HOTGVXAUSA-N 1 2 315.373 2.856 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000367137988 429584021 /nfs/dbraw/zinc/58/40/21/429584021.db2.gz FEXSYPCMYCZBDX-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000367137988 429584026 /nfs/dbraw/zinc/58/40/26/429584026.db2.gz FEXSYPCMYCZBDX-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000367137986 429584899 /nfs/dbraw/zinc/58/48/99/429584899.db2.gz FEXSYPCMYCZBDX-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000367137986 429584902 /nfs/dbraw/zinc/58/49/02/429584902.db2.gz FEXSYPCMYCZBDX-KRWDZBQOSA-N 1 2 309.369 2.535 20 30 DFEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1[N+](=O)[O-] ZINC000492420005 429533600 /nfs/dbraw/zinc/53/36/00/429533600.db2.gz XFTBOIGKPOSXAC-UHFFFAOYSA-N 1 2 302.359 2.948 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@@]3(C#N)CCC[C@H](C)C3)[nH+]c12 ZINC000523971592 429616697 /nfs/dbraw/zinc/61/66/97/429616697.db2.gz NPRQRYOSMVWFAC-UGSOOPFHSA-N 1 2 310.401 2.774 20 30 DFEDLO N#CCCN(CC/C=C\c1ccccc1)CC[NH+]1CCOCC1 ZINC000450464393 429634028 /nfs/dbraw/zinc/63/40/28/429634028.db2.gz YMILBRRVCGDFNL-WTKPLQERSA-N 1 2 313.445 2.638 20 30 DFEDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n(CCC#N)n1 ZINC000523340522 429603552 /nfs/dbraw/zinc/60/35/52/429603552.db2.gz FXUSDZUYDIIZQO-UHFFFAOYSA-N 1 2 320.356 2.543 20 30 DFEDLO C[C@@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000450379924 429614529 /nfs/dbraw/zinc/61/45/29/429614529.db2.gz QFBFFFBDDVUZLP-IUODEOHRSA-N 1 2 311.345 2.750 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000367736556 429709402 /nfs/dbraw/zinc/70/94/02/429709402.db2.gz GOOBCPZANOOZER-GFCCVEGCSA-N 1 2 323.234 2.915 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000367736556 429709404 /nfs/dbraw/zinc/70/94/04/429709404.db2.gz GOOBCPZANOOZER-GFCCVEGCSA-N 1 2 323.234 2.915 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)OC ZINC000482441444 429725844 /nfs/dbraw/zinc/72/58/44/429725844.db2.gz VECIBASYQRWBSP-BBWFWOEESA-N 1 2 321.392 2.796 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000527778461 429796506 /nfs/dbraw/zinc/79/65/06/429796506.db2.gz ARVIFBKVSKMECF-UHFFFAOYSA-N 1 2 300.406 2.628 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)o1)c1cccc(F)c1 ZINC000431747985 429781264 /nfs/dbraw/zinc/78/12/64/429781264.db2.gz COQOUHMIAKLMOH-OAHLLOKOSA-N 1 2 324.315 2.543 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368093460 429784246 /nfs/dbraw/zinc/78/42/46/429784246.db2.gz RENDXDVJNJDUQE-AWEZNQCLSA-N 1 2 323.400 2.890 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368093460 429784250 /nfs/dbraw/zinc/78/42/50/429784250.db2.gz RENDXDVJNJDUQE-AWEZNQCLSA-N 1 2 323.400 2.890 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1nnc2n1CCCC2 ZINC000451402993 429823082 /nfs/dbraw/zinc/82/30/82/429823082.db2.gz KMYLKUQAHIVWKL-UHFFFAOYSA-N 1 2 313.380 2.650 20 30 DFEDLO CCC(C#N)(CC)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000528130289 429851467 /nfs/dbraw/zinc/85/14/67/429851467.db2.gz AAYQCGZIJFRIAD-UHFFFAOYSA-N 1 2 308.345 2.899 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1OC)CCO2 ZINC000451644739 429866341 /nfs/dbraw/zinc/86/63/41/429866341.db2.gz VNQFDZWEODPDKH-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1OC)CCO2 ZINC000451644739 429866342 /nfs/dbraw/zinc/86/63/42/429866342.db2.gz VNQFDZWEODPDKH-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498837 429893899 /nfs/dbraw/zinc/89/38/99/429893899.db2.gz ZOTSUNCRPZBKCW-RDJZCZTQSA-N 1 2 324.346 2.890 20 30 DFEDLO N#CC1(C[C@H](O)C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000528498837 429893900 /nfs/dbraw/zinc/89/39/00/429893900.db2.gz ZOTSUNCRPZBKCW-RDJZCZTQSA-N 1 2 324.346 2.890 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(CO)ccc1F ZINC000528509954 429894088 /nfs/dbraw/zinc/89/40/88/429894088.db2.gz VXKUPKFZHZZQNH-UHFFFAOYSA-N 1 2 319.376 2.982 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(CO)ccc1F ZINC000528509954 429894089 /nfs/dbraw/zinc/89/40/89/429894089.db2.gz VXKUPKFZHZZQNH-UHFFFAOYSA-N 1 2 319.376 2.982 20 30 DFEDLO C=CC[N@@H+](CC)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000368798928 429894855 /nfs/dbraw/zinc/89/48/55/429894855.db2.gz SVYDSRLYHZMOOG-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=CC[N@H+](CC)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000368798928 429894856 /nfs/dbraw/zinc/89/48/56/429894856.db2.gz SVYDSRLYHZMOOG-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO Cc1cccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000368940109 429903129 /nfs/dbraw/zinc/90/31/29/429903129.db2.gz VBBNSCKNYCTBDJ-UHFFFAOYSA-N 1 2 309.413 2.647 20 30 DFEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000368940109 429903131 /nfs/dbraw/zinc/90/31/31/429903131.db2.gz VBBNSCKNYCTBDJ-UHFFFAOYSA-N 1 2 309.413 2.647 20 30 DFEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000369086562 429911334 /nfs/dbraw/zinc/91/13/34/429911334.db2.gz XXDSHJFTFXUVTI-OAHLLOKOSA-N 1 2 316.792 2.885 20 30 DFEDLO N#C[C@H]1[N@H+](CCCCCn2cccn2)CCC[C@]12CCCCO2 ZINC000369312565 429923340 /nfs/dbraw/zinc/92/33/40/429923340.db2.gz QIVOLELQBDWLBN-QZTJIDSGSA-N 1 2 316.449 2.981 20 30 DFEDLO N#C[C@H]1[N@@H+](CCCCCn2cccn2)CCC[C@]12CCCCO2 ZINC000369312565 429923341 /nfs/dbraw/zinc/92/33/41/429923341.db2.gz QIVOLELQBDWLBN-QZTJIDSGSA-N 1 2 316.449 2.981 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000494400046 429871881 /nfs/dbraw/zinc/87/18/81/429871881.db2.gz QXOZTSGPJWGSDD-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000494400046 429871885 /nfs/dbraw/zinc/87/18/85/429871885.db2.gz QXOZTSGPJWGSDD-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO C=CCC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000636955665 429960501 /nfs/dbraw/zinc/96/05/01/429960501.db2.gz XUTUXZRJVYTCSD-DOTOQJQBSA-N 1 2 310.401 2.815 20 30 DFEDLO C=CCCn1cc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)nn1 ZINC000631313044 429982688 /nfs/dbraw/zinc/98/26/88/429982688.db2.gz JZIXBFXDZMDHHP-UHFFFAOYSA-N 1 2 314.437 3.503 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000557586859 429947498 /nfs/dbraw/zinc/94/74/98/429947498.db2.gz STAISFHJWSBFGV-UHFFFAOYSA-N 1 2 307.781 2.623 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000557586859 429947502 /nfs/dbraw/zinc/94/75/02/429947502.db2.gz STAISFHJWSBFGV-UHFFFAOYSA-N 1 2 307.781 2.623 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529041013 429954556 /nfs/dbraw/zinc/95/45/56/429954556.db2.gz CDPDMZWQZVJPDF-CABCVRRESA-N 1 2 305.809 2.723 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529041013 429954561 /nfs/dbraw/zinc/95/45/61/429954561.db2.gz CDPDMZWQZVJPDF-CABCVRRESA-N 1 2 305.809 2.723 20 30 DFEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573972890 429999850 /nfs/dbraw/zinc/99/98/50/429999850.db2.gz QCYFJJKZNRMSAI-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573972890 429999855 /nfs/dbraw/zinc/99/98/55/429999855.db2.gz QCYFJJKZNRMSAI-OAHLLOKOSA-N 1 2 303.362 2.713 20 30 DFEDLO C=CCCC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000637263926 430010998 /nfs/dbraw/zinc/01/09/98/430010998.db2.gz PJIVPHSUOKGMDU-AWEZNQCLSA-N 1 2 302.422 2.634 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639920892 430023723 /nfs/dbraw/zinc/02/37/23/430023723.db2.gz RARBHEUMTHCLEC-MRXNPFEDSA-N 1 2 318.465 2.541 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000639920892 430023728 /nfs/dbraw/zinc/02/37/28/430023728.db2.gz RARBHEUMTHCLEC-MRXNPFEDSA-N 1 2 318.465 2.541 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000640119911 430093892 /nfs/dbraw/zinc/09/38/92/430093892.db2.gz PXYYSDGTZLZQBJ-INIZCTEOSA-N 1 2 317.433 2.600 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000640119911 430093897 /nfs/dbraw/zinc/09/38/97/430093897.db2.gz PXYYSDGTZLZQBJ-INIZCTEOSA-N 1 2 317.433 2.600 20 30 DFEDLO CN1CCCC[C@H]([N@H+](C)CC#Cc2ccccc2Cl)C1=O ZINC000634742215 430097857 /nfs/dbraw/zinc/09/78/57/430097857.db2.gz DEBAHZVGFZPTKH-INIZCTEOSA-N 1 2 304.821 2.634 20 30 DFEDLO CN1CCCC[C@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1=O ZINC000634742215 430097861 /nfs/dbraw/zinc/09/78/61/430097861.db2.gz DEBAHZVGFZPTKH-INIZCTEOSA-N 1 2 304.821 2.634 20 30 DFEDLO C=CCOCCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640174866 430105102 /nfs/dbraw/zinc/10/51/02/430105102.db2.gz VEYCQMFFWFMKKC-UHFFFAOYSA-N 1 2 314.389 2.625 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000530334392 430113063 /nfs/dbraw/zinc/11/30/63/430113063.db2.gz CFJAYSDDNVFIRN-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000530334392 430113066 /nfs/dbraw/zinc/11/30/66/430113066.db2.gz CFJAYSDDNVFIRN-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000637884398 430159320 /nfs/dbraw/zinc/15/93/20/430159320.db2.gz QERGAMIQFKHJSH-UHFFFAOYSA-N 1 2 321.380 2.754 20 30 DFEDLO N#Cc1cc(F)c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000531911551 430149198 /nfs/dbraw/zinc/14/91/98/430149198.db2.gz ZBKOUEJHZJUOCJ-CVEARBPZSA-N 1 2 321.371 2.892 20 30 DFEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(F)cc1C#N ZINC000541984881 430197905 /nfs/dbraw/zinc/19/79/05/430197905.db2.gz ZHKNGYQTFVTORM-INIZCTEOSA-N 1 2 300.333 2.529 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000566665466 430271826 /nfs/dbraw/zinc/27/18/26/430271826.db2.gz ATFGHUIWJJIGAX-JKSUJKDBSA-N 1 2 324.428 2.754 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000566665466 430271831 /nfs/dbraw/zinc/27/18/31/430271831.db2.gz ATFGHUIWJJIGAX-JKSUJKDBSA-N 1 2 324.428 2.754 20 30 DFEDLO CC1(C#N)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000582212712 430278488 /nfs/dbraw/zinc/27/84/88/430278488.db2.gz VDZZBKFLVKJWNB-UHFFFAOYSA-N 1 2 322.412 2.626 20 30 DFEDLO Cc1cccn2cc(CC(=O)NCC3CCC(C#N)CC3)[nH+]c12 ZINC000567342542 430283214 /nfs/dbraw/zinc/28/32/14/430283214.db2.gz RGKQCBIFUFJDNZ-UHFFFAOYSA-N 1 2 310.401 2.631 20 30 DFEDLO C=CC1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635547816 430304127 /nfs/dbraw/zinc/30/41/27/430304127.db2.gz ITXSPEIIIFKFIV-LBPRGKRZSA-N 1 2 301.312 2.801 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccc(Cl)c2F)nn1 ZINC000641176142 430353562 /nfs/dbraw/zinc/35/35/62/430353562.db2.gz WNAKSDWZSXGBIH-NSHDSACASA-N 1 2 306.772 2.793 20 30 DFEDLO C=CCC[C@@H](C(=O)NCc1c[nH+]c(C)nc1N)c1ccccc1 ZINC000583026767 430358224 /nfs/dbraw/zinc/35/82/24/430358224.db2.gz MVDUEIWCIFTKOC-MRXNPFEDSA-N 1 2 310.401 2.733 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CCO2)ccc1F ZINC000583348203 430386463 /nfs/dbraw/zinc/38/64/63/430386463.db2.gz CCVAGJHZCPDPNV-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CCO2)ccc1F ZINC000583348203 430386468 /nfs/dbraw/zinc/38/64/68/430386468.db2.gz CCVAGJHZCPDPNV-SFHVURJKSA-N 1 2 311.360 2.974 20 30 DFEDLO C=CCCC[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641411790 430396615 /nfs/dbraw/zinc/39/66/15/430396615.db2.gz IEPQXTSATLGQPE-CQSZACIVSA-N 1 2 322.474 2.698 20 30 DFEDLO C=CCCC[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641411790 430396618 /nfs/dbraw/zinc/39/66/18/430396618.db2.gz IEPQXTSATLGQPE-CQSZACIVSA-N 1 2 322.474 2.698 20 30 DFEDLO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890920 430405387 /nfs/dbraw/zinc/40/53/87/430405387.db2.gz CHWLMQXVWJVCEB-DOTOQJQBSA-N 1 2 302.418 2.740 20 30 DFEDLO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890920 430405389 /nfs/dbraw/zinc/40/53/89/430405389.db2.gz CHWLMQXVWJVCEB-DOTOQJQBSA-N 1 2 302.418 2.740 20 30 DFEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)cc1I ZINC000569821093 430488475 /nfs/dbraw/zinc/48/84/75/430488475.db2.gz LRYNKLBSIUEGEN-QMMMGPOBSA-N 1 2 318.133 2.680 20 30 DFEDLO CCCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1cc(C)on1 ZINC000595701472 430503907 /nfs/dbraw/zinc/50/39/07/430503907.db2.gz GNFTVYWRSAIXTE-KFWWJZLASA-N 1 2 318.421 3.152 20 30 DFEDLO C=CCCSCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000596413271 430514561 /nfs/dbraw/zinc/51/45/61/430514561.db2.gz IGEAWCWDUKMHAO-UHFFFAOYSA-N 1 2 300.431 3.568 20 30 DFEDLO N#Cc1ccc2nc(NC[C@H]3CCC[N@H+]3CC(F)F)ccc2c1 ZINC000599133857 430527348 /nfs/dbraw/zinc/52/73/48/430527348.db2.gz MGWFQGQACFTNDV-CQSZACIVSA-N 1 2 316.355 3.248 20 30 DFEDLO N#Cc1ccc2nc(NC[C@H]3CCC[N@@H+]3CC(F)F)ccc2c1 ZINC000599133857 430527352 /nfs/dbraw/zinc/52/73/52/430527352.db2.gz MGWFQGQACFTNDV-CQSZACIVSA-N 1 2 316.355 3.248 20 30 DFEDLO CCn1c2ccccc2[nH+]c1CCNc1cc(C#N)cc(C)n1 ZINC000587543239 430482291 /nfs/dbraw/zinc/48/22/91/430482291.db2.gz DCVUGJLNVUCUKV-UHFFFAOYSA-N 1 2 305.385 3.286 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(OC)s1 ZINC000639160035 430549583 /nfs/dbraw/zinc/54/95/83/430549583.db2.gz ACMDBVGVDCLCLH-UHFFFAOYSA-N 1 2 308.403 2.815 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(OC)s1 ZINC000639160035 430549587 /nfs/dbraw/zinc/54/95/87/430549587.db2.gz ACMDBVGVDCLCLH-UHFFFAOYSA-N 1 2 308.403 2.815 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570867948 430584909 /nfs/dbraw/zinc/58/49/09/430584909.db2.gz PWXSETYIVMOFEG-KSSFIOAISA-N 1 2 315.392 2.508 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570867948 430584912 /nfs/dbraw/zinc/58/49/12/430584912.db2.gz PWXSETYIVMOFEG-KSSFIOAISA-N 1 2 315.392 2.508 20 30 DFEDLO C=CC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554463291 430636735 /nfs/dbraw/zinc/63/67/35/430636735.db2.gz CFLTXCWUXKMWIR-UHFFFAOYSA-N 1 2 311.389 2.756 20 30 DFEDLO C[C@H](C#N)C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000571643303 430643201 /nfs/dbraw/zinc/64/32/01/430643201.db2.gz KXRSGPPLBYZYCT-CYBMUJFWSA-N 1 2 308.385 2.973 20 30 DFEDLO C[C@H](C#N)C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000571643303 430643203 /nfs/dbraw/zinc/64/32/03/430643203.db2.gz KXRSGPPLBYZYCT-CYBMUJFWSA-N 1 2 308.385 2.973 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000555595413 430670864 /nfs/dbraw/zinc/67/08/64/430670864.db2.gz BYIINDARZASOAH-PMPSAXMXSA-N 1 2 304.438 2.997 20 30 DFEDLO C=CCCCCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000572659701 430693564 /nfs/dbraw/zinc/69/35/64/430693564.db2.gz NQDCSGIRRNUOSN-UHFFFAOYSA-N 1 2 300.406 2.922 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665621352 430985580 /nfs/dbraw/zinc/98/55/80/430985580.db2.gz ZIRSVVFZQLBGDT-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOc2cccc(C)c2)nn1 ZINC000653484452 431397585 /nfs/dbraw/zinc/39/75/85/431397585.db2.gz KNBKLRWRCSIBPI-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOc2cccc(C)c2)nn1 ZINC000653484452 431397591 /nfs/dbraw/zinc/39/75/91/431397591.db2.gz KNBKLRWRCSIBPI-UHFFFAOYSA-N 1 2 300.406 2.673 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2Cl)C1=O ZINC000660464190 431442993 /nfs/dbraw/zinc/44/29/93/431442993.db2.gz LHZDLJOXEXCQCR-CYBMUJFWSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2Cl)C1=O ZINC000660464190 431442998 /nfs/dbraw/zinc/44/29/98/431442998.db2.gz LHZDLJOXEXCQCR-CYBMUJFWSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCCC(C)(C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000663548155 431461736 /nfs/dbraw/zinc/46/17/36/431461736.db2.gz MBJKDMXFCAUMMN-UHFFFAOYSA-N 1 2 300.406 2.921 20 30 DFEDLO C=CCNc1nnc(SCCc2[nH+]cc(C)cc2C)s1 ZINC000647114176 431463363 /nfs/dbraw/zinc/46/33/63/431463363.db2.gz QFZULDHYLCUVOR-UHFFFAOYSA-N 1 2 306.460 3.483 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](COC)c2cccc(Cl)c2)nn1 ZINC000653678535 431489106 /nfs/dbraw/zinc/48/91/06/431489106.db2.gz OYBJSKVKDLTAEA-MRXNPFEDSA-N 1 2 320.824 2.985 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000660703997 431557857 /nfs/dbraw/zinc/55/78/57/431557857.db2.gz QZMJTZQLYSQMTL-HZMVEIRTSA-N 1 2 323.481 2.530 20 30 DFEDLO C=CCC1(NC(=O)NCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000663939233 431598807 /nfs/dbraw/zinc/59/88/07/431598807.db2.gz KNYFZGVLEVQVJI-UHFFFAOYSA-N 1 2 302.422 2.908 20 30 DFEDLO C=CCCC(C)(C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000663958598 431605939 /nfs/dbraw/zinc/60/59/39/431605939.db2.gz DSHQBQSLGDPEKK-UHFFFAOYSA-N 1 2 318.343 2.989 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000660938987 431671053 /nfs/dbraw/zinc/67/10/53/431671053.db2.gz SPTXFPFUVWEZQC-LSDHHAIUSA-N 1 2 302.422 2.758 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000664145466 431672123 /nfs/dbraw/zinc/67/21/23/431672123.db2.gz SZBTTXCLTRNQAK-BZUAXINKSA-N 1 2 316.449 2.985 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000664145466 431672129 /nfs/dbraw/zinc/67/21/29/431672129.db2.gz SZBTTXCLTRNQAK-BZUAXINKSA-N 1 2 316.449 2.985 20 30 DFEDLO Cc1cc(N2CCC(N3CCCCC3=O)CC2)c(C#N)c(C)[nH+]1 ZINC000301797222 280543676 /nfs/dbraw/zinc/54/36/76/280543676.db2.gz UEJOWONMZXJFNZ-UHFFFAOYSA-N 1 2 312.417 2.551 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661149500 431753705 /nfs/dbraw/zinc/75/37/05/431753705.db2.gz CKWWKSACLKYFKU-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661149500 431753713 /nfs/dbraw/zinc/75/37/13/431753713.db2.gz CKWWKSACLKYFKU-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[C@H]1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000664252655 431716132 /nfs/dbraw/zinc/71/61/32/431716132.db2.gz AKTFFSPSYUGEKF-AWEZNQCLSA-N 1 2 312.417 2.827 20 30 DFEDLO C=CC[C@@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000664256857 431716433 /nfs/dbraw/zinc/71/64/33/431716433.db2.gz SFFAWIMPWKFKCX-GFCCVEGCSA-N 1 2 314.437 2.956 20 30 DFEDLO C=CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)COC ZINC000661243411 431792622 /nfs/dbraw/zinc/79/26/22/431792622.db2.gz KPGIRRWSUMEFNE-LBPRGKRZSA-N 1 2 306.435 2.567 20 30 DFEDLO C=CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H](C)COC ZINC000661243411 431792632 /nfs/dbraw/zinc/79/26/32/431792632.db2.gz KPGIRRWSUMEFNE-LBPRGKRZSA-N 1 2 306.435 2.567 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)nn1 ZINC000657480767 431776511 /nfs/dbraw/zinc/77/65/11/431776511.db2.gz VPWPZSUURKMFBS-UHFFFAOYSA-N 1 2 311.311 2.558 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664571882 431821411 /nfs/dbraw/zinc/82/14/11/431821411.db2.gz KQVRVMBAJXCIPJ-OWCLPIDISA-N 1 2 314.433 2.515 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000664571882 431821415 /nfs/dbraw/zinc/82/14/15/431821415.db2.gz KQVRVMBAJXCIPJ-OWCLPIDISA-N 1 2 314.433 2.515 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCOC2)O1 ZINC000369529218 288291138 /nfs/dbraw/zinc/29/11/38/288291138.db2.gz WVOJXXJUXLJEMN-DLBZAZTESA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCOC2)O1 ZINC000369529218 288291139 /nfs/dbraw/zinc/29/11/39/288291139.db2.gz WVOJXXJUXLJEMN-DLBZAZTESA-N 1 2 320.820 2.982 20 30 DFEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000440473463 297153446 /nfs/dbraw/zinc/15/34/46/297153446.db2.gz OASCFOIMMSBZQY-UHFFFAOYSA-N 1 2 323.400 2.542 20 30 DFEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000440473463 297153447 /nfs/dbraw/zinc/15/34/47/297153447.db2.gz OASCFOIMMSBZQY-UHFFFAOYSA-N 1 2 323.400 2.542 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000535206407 301250982 /nfs/dbraw/zinc/25/09/82/301250982.db2.gz MKDINXJUPKBQNN-VXGBXAGGSA-N 1 2 304.415 2.671 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000535206407 301250985 /nfs/dbraw/zinc/25/09/85/301250985.db2.gz MKDINXJUPKBQNN-VXGBXAGGSA-N 1 2 304.415 2.671 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000537587620 301304353 /nfs/dbraw/zinc/30/43/53/301304353.db2.gz VCHSMOCZWXSKQI-UHFFFAOYSA-N 1 2 302.765 2.570 20 30 DFEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc(C#N)c1F ZINC000541054643 301381703 /nfs/dbraw/zinc/38/17/03/301381703.db2.gz PYAPUYLBBABDNI-OAHLLOKOSA-N 1 2 300.333 2.529 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1C#N ZINC000543509295 301431706 /nfs/dbraw/zinc/43/17/06/301431706.db2.gz JFFIVSJYWXGWHL-LLVKDONJSA-N 1 2 315.398 2.961 20 30 DFEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000555686003 301775689 /nfs/dbraw/zinc/77/56/89/301775689.db2.gz YMBJQRQACKKNIN-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc1 ZINC000556859699 301817247 /nfs/dbraw/zinc/81/72/47/301817247.db2.gz TUCWDXPLDDKYMN-SHTZXODSSA-N 1 2 321.384 2.501 20 30 DFEDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000561496747 301937589 /nfs/dbraw/zinc/93/75/89/301937589.db2.gz VJFASRSRKAVSPJ-BLLLJJGKSA-N 1 2 323.400 2.803 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000563519349 302079408 /nfs/dbraw/zinc/07/94/08/302079408.db2.gz SKGPTIKEYBVKCN-DOTOQJQBSA-N 1 2 320.396 2.511 20 30 DFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565341980 302219240 /nfs/dbraw/zinc/21/92/40/302219240.db2.gz CSVKMGUCOLVFRH-XMHCIUCPSA-N 1 2 313.426 2.884 20 30 DFEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565341980 302219241 /nfs/dbraw/zinc/21/92/41/302219241.db2.gz CSVKMGUCOLVFRH-XMHCIUCPSA-N 1 2 313.426 2.884 20 30 DFEDLO N#Cc1c(NCC2([NH+]3CCOCC3)CC2)cccc1C(F)F ZINC000565667534 302237285 /nfs/dbraw/zinc/23/72/85/302237285.db2.gz MEMGEHLKNCZTLS-UHFFFAOYSA-N 1 2 307.344 2.773 20 30 DFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000052835112 303192026 /nfs/dbraw/zinc/19/20/26/303192026.db2.gz FHQRHQSWVDLMGX-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(F)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000052835112 303192028 /nfs/dbraw/zinc/19/20/28/303192028.db2.gz FHQRHQSWVDLMGX-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO C[C@H](NC(=O)c1ccc(C#N)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173947122 315959719 /nfs/dbraw/zinc/95/97/19/315959719.db2.gz PQHQZQCSKDPOBG-ZDUSSCGKSA-N 1 2 317.352 2.630 20 30 DFEDLO CC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nccs1 ZINC000185089190 316179705 /nfs/dbraw/zinc/17/97/05/316179705.db2.gz PGVIHWBWEOWAIL-JTQLQIEISA-N 1 2 306.416 2.756 20 30 DFEDLO CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000185099955 316180094 /nfs/dbraw/zinc/18/00/94/316180094.db2.gz KTRVLJMTQLXCKG-ZDUSSCGKSA-N 1 2 300.387 2.694 20 30 DFEDLO N#Cc1ccc(Br)c(CN2CCn3cc[nH+]c3C2)c1 ZINC000492699640 317632141 /nfs/dbraw/zinc/63/21/41/317632141.db2.gz WMXPRJUJWRYTOP-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575105092 318063187 /nfs/dbraw/zinc/06/31/87/318063187.db2.gz OMTPKDANMSKQOA-JKSUJKDBSA-N 1 2 320.396 2.786 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000575364658 318075183 /nfs/dbraw/zinc/07/51/83/318075183.db2.gz AJDFMKLQBFRFAX-UHFFFAOYSA-N 1 2 301.733 2.545 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC[C@H]3C3CCC3)o2)c1 ZINC000579834355 318357189 /nfs/dbraw/zinc/35/71/89/318357189.db2.gz XFTHISAFENRGFV-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOC[C@H]3C3CCC3)o2)c1 ZINC000579834355 318357191 /nfs/dbraw/zinc/35/71/91/318357191.db2.gz XFTHISAFENRGFV-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000580133573 318377266 /nfs/dbraw/zinc/37/72/66/318377266.db2.gz RBWITKKNFBZZMX-NSHDSACASA-N 1 2 308.328 2.822 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000580133573 318377269 /nfs/dbraw/zinc/37/72/69/318377269.db2.gz RBWITKKNFBZZMX-NSHDSACASA-N 1 2 308.328 2.822 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000580624827 323411616 /nfs/dbraw/zinc/41/16/16/323411616.db2.gz YJYCJOQPDKWVNG-JTQLQIEISA-N 1 2 302.765 2.919 20 30 DFEDLO C=CCC[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000188268246 331546175 /nfs/dbraw/zinc/54/61/75/331546175.db2.gz DGIPTAXGEKKFIW-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000517390607 331682791 /nfs/dbraw/zinc/68/27/91/331682791.db2.gz GUKWTBASFVZBST-GFCCVEGCSA-N 1 2 315.339 2.881 20 30 DFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000408113720 331822533 /nfs/dbraw/zinc/82/25/33/331822533.db2.gz YVTQBXHKEYOABX-LRDDRELGSA-N 1 2 313.392 2.552 20 30 DFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCC(C)C)cn2)n1 ZINC000085261516 332010129 /nfs/dbraw/zinc/01/01/29/332010129.db2.gz COKPMBQQMARRBU-UHFFFAOYSA-N 1 2 301.394 2.567 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000566170310 332015487 /nfs/dbraw/zinc/01/54/87/332015487.db2.gz RXGWVJDSSNXMJY-UHFFFAOYSA-N 1 2 315.398 2.504 20 30 DFEDLO C[C@@H](C[NH+]1CCN(CC#N)CC1)c1cccc(Br)c1 ZINC000092936482 332132577 /nfs/dbraw/zinc/13/25/77/332132577.db2.gz QZQCDLYOWBOTAJ-ZDUSSCGKSA-N 1 2 322.250 2.694 20 30 DFEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000093091399 332134037 /nfs/dbraw/zinc/13/40/37/332134037.db2.gz RKTMWHBKXGIWHT-UHFFFAOYSA-N 1 2 319.361 2.738 20 30 DFEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000093091399 332134039 /nfs/dbraw/zinc/13/40/39/332134039.db2.gz RKTMWHBKXGIWHT-UHFFFAOYSA-N 1 2 319.361 2.738 20 30 DFEDLO Cc1ccc2[nH+]cc(CN(CCC#N)Cc3ccccn3)n2c1 ZINC000093100756 332134181 /nfs/dbraw/zinc/13/41/81/332134181.db2.gz UBMRBXXHLOZBJG-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO FC(F)(F)c1ccc(C#CCN2CCn3cc[nH+]c3C2)cc1 ZINC000426999061 332165120 /nfs/dbraw/zinc/16/51/20/332165120.db2.gz UJVZUNXODVCQPZ-UHFFFAOYSA-N 1 2 305.303 2.769 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000150917416 332198316 /nfs/dbraw/zinc/19/83/16/332198316.db2.gz HPZJDSQNPMSNPV-UHFFFAOYSA-N 1 2 309.373 2.855 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)COc2ccccc2)cs1 ZINC000101540296 332216275 /nfs/dbraw/zinc/21/62/75/332216275.db2.gz OAUABGQBEMXJLF-UHFFFAOYSA-N 1 2 305.403 2.963 20 30 DFEDLO N#CCCN(C(=O)C[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000106304849 332258595 /nfs/dbraw/zinc/25/85/95/332258595.db2.gz VRMNJSIAUKAHSJ-UHFFFAOYSA-N 1 2 305.381 2.949 20 30 DFEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902398 332292655 /nfs/dbraw/zinc/29/26/55/332292655.db2.gz IRAYLOWAIHSQDC-YOEHRIQHSA-N 1 2 311.385 2.592 20 30 DFEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000370902398 332292656 /nfs/dbraw/zinc/29/26/56/332292656.db2.gz IRAYLOWAIHSQDC-YOEHRIQHSA-N 1 2 311.385 2.592 20 30 DFEDLO CC#CC[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000293016030 335099515 /nfs/dbraw/zinc/09/95/15/335099515.db2.gz FAJBEQRAKQXPSO-UHFFFAOYSA-N 1 2 310.151 2.547 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000293016030 335099517 /nfs/dbraw/zinc/09/95/17/335099517.db2.gz FAJBEQRAKQXPSO-UHFFFAOYSA-N 1 2 310.151 2.547 20 30 DFEDLO N#CCC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152678225 332318779 /nfs/dbraw/zinc/31/87/79/332318779.db2.gz GTXOATWYMUOTCF-UHFFFAOYSA-N 1 2 311.429 2.803 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(SC2CC2)cc1 ZINC000566309221 332330568 /nfs/dbraw/zinc/33/05/68/332330568.db2.gz MKFMMRWPCHAMNH-MRXNPFEDSA-N 1 2 303.431 2.515 20 30 DFEDLO C=CC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000116989462 332344374 /nfs/dbraw/zinc/34/43/74/332344374.db2.gz OOUQEBAYXSOIRJ-GFCCVEGCSA-N 1 2 310.401 2.611 20 30 DFEDLO C=CC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000116989459 332344378 /nfs/dbraw/zinc/34/43/78/332344378.db2.gz OOUQEBAYXSOIRJ-LBPRGKRZSA-N 1 2 310.401 2.611 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119242823 332367575 /nfs/dbraw/zinc/36/75/75/332367575.db2.gz JBSFPERUBYNYTE-KGLIPLIRSA-N 1 2 303.406 2.813 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119242823 332367576 /nfs/dbraw/zinc/36/75/76/332367576.db2.gz JBSFPERUBYNYTE-KGLIPLIRSA-N 1 2 303.406 2.813 20 30 DFEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCC1 ZINC000120345185 332385455 /nfs/dbraw/zinc/38/54/55/332385455.db2.gz YQJOAPOIXOQCSM-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185040832 335110498 /nfs/dbraw/zinc/11/04/98/335110498.db2.gz AVGRRFLFOOFOHT-WMZOPIPTSA-N 1 2 316.445 2.778 20 30 DFEDLO Cn1c2ccc(NC(=O)CSCC#N)cc2[nH+]c1C1CC1 ZINC000132272370 332567185 /nfs/dbraw/zinc/56/71/85/332567185.db2.gz UYXJHHZPPCJOFS-UHFFFAOYSA-N 1 2 300.387 2.646 20 30 DFEDLO Cc1cc(Cl)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000136132947 332628307 /nfs/dbraw/zinc/62/83/07/332628307.db2.gz IRNXRKGQFHPHQX-UHFFFAOYSA-N 1 2 321.852 2.696 20 30 DFEDLO C[C@@H](CCCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580202818 333003642 /nfs/dbraw/zinc/00/36/42/333003642.db2.gz RZBFKUGBRZDUGF-YJBOKZPZSA-N 1 2 301.434 2.605 20 30 DFEDLO C[NH+](C)[C@@H](CNC(=O)NCCCCC#N)c1c(F)cccc1F ZINC000172149736 333059323 /nfs/dbraw/zinc/05/93/23/333059323.db2.gz BVRCAVIQKIBSRP-AWEZNQCLSA-N 1 2 324.375 2.561 20 30 DFEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173492841 333074315 /nfs/dbraw/zinc/07/43/15/333074315.db2.gz ZWJUKXNRTDSMRG-GFCCVEGCSA-N 1 2 321.471 2.678 20 30 DFEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173492841 333074316 /nfs/dbraw/zinc/07/43/16/333074316.db2.gz ZWJUKXNRTDSMRG-GFCCVEGCSA-N 1 2 321.471 2.678 20 30 DFEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173492849 333074318 /nfs/dbraw/zinc/07/43/18/333074318.db2.gz ZWJUKXNRTDSMRG-LBPRGKRZSA-N 1 2 321.471 2.678 20 30 DFEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173492849 333074319 /nfs/dbraw/zinc/07/43/19/333074319.db2.gz ZWJUKXNRTDSMRG-LBPRGKRZSA-N 1 2 321.471 2.678 20 30 DFEDLO COc1cccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)c1 ZINC000173541116 333074993 /nfs/dbraw/zinc/07/49/93/333074993.db2.gz RWFOPUSHHPPKFD-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO COc1cccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000173541116 333074995 /nfs/dbraw/zinc/07/49/95/333074995.db2.gz RWFOPUSHHPPKFD-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000491396011 333075450 /nfs/dbraw/zinc/07/54/50/333075450.db2.gz WFQSZZRMBZVKIE-LBPRGKRZSA-N 1 2 301.415 2.603 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000491396011 333075451 /nfs/dbraw/zinc/07/54/51/333075451.db2.gz WFQSZZRMBZVKIE-LBPRGKRZSA-N 1 2 301.415 2.603 20 30 DFEDLO COCCCCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000174127714 333082439 /nfs/dbraw/zinc/08/24/39/333082439.db2.gz UHHOXQCIBAVKBL-UHFFFAOYSA-N 1 2 320.437 2.526 20 30 DFEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174225875 333083551 /nfs/dbraw/zinc/08/35/51/333083551.db2.gz NTIKIRFFMMAGRR-KBPBESRZSA-N 1 2 321.421 2.672 20 30 DFEDLO N#CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000174837998 333091480 /nfs/dbraw/zinc/09/14/80/333091480.db2.gz VUYQRAAWVNOPPN-UHFFFAOYSA-N 1 2 310.357 2.948 20 30 DFEDLO N#CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000174837998 333091481 /nfs/dbraw/zinc/09/14/81/333091481.db2.gz VUYQRAAWVNOPPN-UHFFFAOYSA-N 1 2 310.357 2.948 20 30 DFEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)COc2ccccc2)cs1 ZINC000177543732 333129890 /nfs/dbraw/zinc/12/98/90/333129890.db2.gz ORZNJZCYSMRFJW-NSHDSACASA-N 1 2 321.402 2.718 20 30 DFEDLO N#CC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000181187073 333167913 /nfs/dbraw/zinc/16/79/13/333167913.db2.gz JPGFVTMBPZGDFO-UHFFFAOYSA-N 1 2 319.771 2.795 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000363889597 333192596 /nfs/dbraw/zinc/19/25/96/333192596.db2.gz PVJPESPAHUSZFG-CABCVRRESA-N 1 2 320.437 2.707 20 30 DFEDLO C=CC[N@@H+](CC)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000364134619 333244077 /nfs/dbraw/zinc/24/40/77/333244077.db2.gz OGGFYRPQFIWLSU-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=CC[N@H+](CC)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000364134619 333244080 /nfs/dbraw/zinc/24/40/80/333244080.db2.gz OGGFYRPQFIWLSU-UHFFFAOYSA-N 1 2 303.362 2.762 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000497622845 333271031 /nfs/dbraw/zinc/27/10/31/333271031.db2.gz MJVUYWJGRFMFER-ZDUSSCGKSA-N 1 2 304.438 2.713 20 30 DFEDLO C=CCCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000364270152 333280678 /nfs/dbraw/zinc/28/06/78/333280678.db2.gz SJVLPJJEEWWCAO-HNNXBMFYSA-N 1 2 304.438 2.741 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000364356847 333299076 /nfs/dbraw/zinc/29/90/76/333299076.db2.gz HOTSKNCZTLGUAF-UHFFFAOYSA-N 1 2 305.422 2.682 20 30 DFEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000364356847 333299077 /nfs/dbraw/zinc/29/90/77/333299077.db2.gz HOTSKNCZTLGUAF-UHFFFAOYSA-N 1 2 305.422 2.682 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000365197984 333356630 /nfs/dbraw/zinc/35/66/30/333356630.db2.gz BDKBBUWTMZDBQQ-HNNXBMFYSA-N 1 2 323.400 2.898 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1=O ZINC000295823610 335139739 /nfs/dbraw/zinc/13/97/39/335139739.db2.gz XZEMWYUFCRAERV-HNNXBMFYSA-N 1 2 308.784 2.624 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1=O ZINC000295823610 335139741 /nfs/dbraw/zinc/13/97/41/335139741.db2.gz XZEMWYUFCRAERV-HNNXBMFYSA-N 1 2 308.784 2.624 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC#Cc2ccccc2)CC1(C)C ZINC000296110766 335141507 /nfs/dbraw/zinc/14/15/07/335141507.db2.gz BJVFJTWVYOWHSX-INIZCTEOSA-N 1 2 322.412 2.564 20 30 DFEDLO CC#CCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000296572862 335146396 /nfs/dbraw/zinc/14/63/96/335146396.db2.gz TWJVAWDMADBFPG-HNNXBMFYSA-N 1 2 315.417 2.567 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000296406715 335144293 /nfs/dbraw/zinc/14/42/93/335144293.db2.gz WXYJGQGOIDEVLE-SFHVURJKSA-N 1 2 321.424 2.944 20 30 DFEDLO N#CCCOCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000339055679 333507577 /nfs/dbraw/zinc/50/75/77/333507577.db2.gz UPCUYFIVMNMRGS-UHFFFAOYSA-N 1 2 311.788 2.531 20 30 DFEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)OCC ZINC000339492802 333526499 /nfs/dbraw/zinc/52/64/99/333526499.db2.gz FMBPQKSGTGRGQE-CABCVRRESA-N 1 2 305.422 2.556 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966110 335155115 /nfs/dbraw/zinc/15/51/15/335155115.db2.gz BXUOSWYKCZYQJW-HZPDHXFCSA-N 1 2 320.383 2.876 20 30 DFEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966110 335155117 /nfs/dbraw/zinc/15/51/17/335155117.db2.gz BXUOSWYKCZYQJW-HZPDHXFCSA-N 1 2 320.383 2.876 20 30 DFEDLO N#CCc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343372037 335160161 /nfs/dbraw/zinc/16/01/61/335160161.db2.gz WUJXAXHDRGMVEF-UHFFFAOYSA-N 1 2 317.352 2.645 20 30 DFEDLO Cc1ccncc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000269654807 334002759 /nfs/dbraw/zinc/00/27/59/334002759.db2.gz RJVHSVTZRBQGCB-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO N#CCC[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000269641311 334002973 /nfs/dbraw/zinc/00/29/73/334002973.db2.gz XMSAYGXVZKWLCO-MRXNPFEDSA-N 1 2 323.400 2.838 20 30 DFEDLO C#CCCCO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000270944797 334016823 /nfs/dbraw/zinc/01/68/23/334016823.db2.gz TXGSYHDMIKKRDG-UHFFFAOYSA-N 1 2 310.401 2.599 20 30 DFEDLO COc1cc(C)[nH+]c(CON=C2CCN(C(=O)C(C)C)CC2)c1 ZINC000271188389 334019793 /nfs/dbraw/zinc/01/97/93/334019793.db2.gz FDSULBISMIFNPJ-UHFFFAOYSA-N 1 2 319.405 2.550 20 30 DFEDLO COc1ccc(OC)c(/C=N/OCc2cc(OC)cc(C)[nH+]2)c1 ZINC000271232759 334020340 /nfs/dbraw/zinc/02/03/40/334020340.db2.gz VCQOWUXQYYTFBX-VCHYOVAHSA-N 1 2 316.357 2.967 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000272035733 334029656 /nfs/dbraw/zinc/02/96/56/334029656.db2.gz PZNSMLGBQAWBOA-ZIAGYGMSSA-N 1 2 308.447 2.812 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000272035733 334029657 /nfs/dbraw/zinc/02/96/57/334029657.db2.gz PZNSMLGBQAWBOA-ZIAGYGMSSA-N 1 2 308.447 2.812 20 30 DFEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272522401 334036513 /nfs/dbraw/zinc/03/65/13/334036513.db2.gz HOCUMSCRXCOLSQ-GFCCVEGCSA-N 1 2 316.361 2.547 20 30 DFEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000272631902 334038290 /nfs/dbraw/zinc/03/82/90/334038290.db2.gz WJDPHTNYDHIRLZ-HNNXBMFYSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCC1 ZINC000273708154 334049906 /nfs/dbraw/zinc/04/99/06/334049906.db2.gz HLUCYCSHLGRRCG-UHFFFAOYSA-N 1 2 305.341 2.927 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000273896777 334052750 /nfs/dbraw/zinc/05/27/50/334052750.db2.gz VCDYKYKEQFCGHH-JTQLQIEISA-N 1 2 313.195 2.945 20 30 DFEDLO N#CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274135394 334055239 /nfs/dbraw/zinc/05/52/39/334055239.db2.gz COBHYFPLJJJHBJ-ZDUSSCGKSA-N 1 2 309.772 2.646 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000274781475 334066392 /nfs/dbraw/zinc/06/63/92/334066392.db2.gz KWDNOGLZKZRHLY-ZDUSSCGKSA-N 1 2 315.186 2.857 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000274781475 334066394 /nfs/dbraw/zinc/06/63/94/334066394.db2.gz KWDNOGLZKZRHLY-ZDUSSCGKSA-N 1 2 315.186 2.857 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000277506140 334088831 /nfs/dbraw/zinc/08/88/31/334088831.db2.gz DHUXSUJINMPGFW-SNVBAGLBSA-N 1 2 319.327 2.950 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277901637 334091769 /nfs/dbraw/zinc/09/17/69/334091769.db2.gz LVZOKRMJEYOGNF-MRXNPFEDSA-N 1 2 310.401 2.886 20 30 DFEDLO C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000278644724 334099128 /nfs/dbraw/zinc/09/91/28/334099128.db2.gz PHAQCWAVPQQLOB-HOCLYGCPSA-N 1 2 321.371 2.766 20 30 DFEDLO C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000278644724 334099129 /nfs/dbraw/zinc/09/91/29/334099129.db2.gz PHAQCWAVPQQLOB-HOCLYGCPSA-N 1 2 321.371 2.766 20 30 DFEDLO CC[N@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279382833 334108467 /nfs/dbraw/zinc/10/84/67/334108467.db2.gz KLFYPCBICVTTQH-UHFFFAOYSA-N 1 2 308.389 2.594 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279382833 334108469 /nfs/dbraw/zinc/10/84/69/334108469.db2.gz KLFYPCBICVTTQH-UHFFFAOYSA-N 1 2 308.389 2.594 20 30 DFEDLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284025852 334142337 /nfs/dbraw/zinc/14/23/37/334142337.db2.gz IGUYGFXTYXHGSC-SWLSCSKDSA-N 1 2 319.405 2.606 20 30 DFEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284080756 334142447 /nfs/dbraw/zinc/14/24/47/334142447.db2.gz KNJRDLRLRKJDMC-IUODEOHRSA-N 1 2 319.405 2.605 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286158532 334151400 /nfs/dbraw/zinc/15/14/00/334151400.db2.gz ZTZPNPHHGHYXBU-RDTXWAMCSA-N 1 2 314.433 2.865 20 30 DFEDLO CC1(C)CC(=O)C(=CNNc2[nH+]ccnc2C2CCC2)C(=O)C1 ZINC000286492218 334153456 /nfs/dbraw/zinc/15/34/56/334153456.db2.gz MIXZHAGTSOLTGU-UHFFFAOYSA-N 1 2 314.389 2.503 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CCCC#N)CCCC2 ZINC000291589358 334180110 /nfs/dbraw/zinc/18/01/10/334180110.db2.gz ZPUBIPAEIZVFBM-HNNXBMFYSA-N 1 2 300.406 2.656 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000292193962 334185390 /nfs/dbraw/zinc/18/53/90/334185390.db2.gz NJQQPTLUFKAFQL-UHFFFAOYSA-N 1 2 310.401 2.901 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000292193962 334185392 /nfs/dbraw/zinc/18/53/92/334185392.db2.gz NJQQPTLUFKAFQL-UHFFFAOYSA-N 1 2 310.401 2.901 20 30 DFEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1cccc(OCC)c1O ZINC000292256775 334186030 /nfs/dbraw/zinc/18/60/30/334186030.db2.gz FFCUHNVSHYUGMI-HTMJNSLASA-N 1 2 306.406 2.762 20 30 DFEDLO CC(C)(C)[C@H]([NH2+]CCOCCC#N)C(=O)OCc1ccccc1 ZINC000292760085 334192145 /nfs/dbraw/zinc/19/21/45/334192145.db2.gz AAFHGOGUSZYPLX-MRXNPFEDSA-N 1 2 318.417 2.664 20 30 DFEDLO N#CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000294394182 334209073 /nfs/dbraw/zinc/20/90/73/334209073.db2.gz MXXZTNAUAXKVCL-UHFFFAOYSA-N 1 2 314.776 2.836 20 30 DFEDLO N#C[C@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC12CCCC2 ZINC000294860162 334213603 /nfs/dbraw/zinc/21/36/03/334213603.db2.gz OGOUYKAUAPUICH-IBGZPJMESA-N 1 2 320.396 2.963 20 30 DFEDLO COc1cc(C[NH+]2CCN([C@H](C)CCC#N)CC2)cc(OC)c1 ZINC000299447537 334255425 /nfs/dbraw/zinc/25/54/25/334255425.db2.gz YVFKSTPXVKTTPC-OAHLLOKOSA-N 1 2 317.433 2.514 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000299669729 334257200 /nfs/dbraw/zinc/25/72/00/334257200.db2.gz OQHQMGBMWHSCFM-UONOGXRCSA-N 1 2 301.394 2.816 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000299669729 334257201 /nfs/dbraw/zinc/25/72/01/334257201.db2.gz OQHQMGBMWHSCFM-UONOGXRCSA-N 1 2 301.394 2.816 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000121162797 334343774 /nfs/dbraw/zinc/34/37/74/334343774.db2.gz DYTYWMIBAFSQEH-AWEZNQCLSA-N 1 2 313.357 2.668 20 30 DFEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000121162797 334343775 /nfs/dbraw/zinc/34/37/75/334343775.db2.gz DYTYWMIBAFSQEH-AWEZNQCLSA-N 1 2 313.357 2.668 20 30 DFEDLO C=C(C)[C@H]([NH2+]Cc1ncnn1CCF)c1ccc(F)c(F)c1 ZINC000440510183 334381207 /nfs/dbraw/zinc/38/12/07/334381207.db2.gz XMYOQWJLAMLCTO-HNNXBMFYSA-N 1 2 310.323 2.933 20 30 DFEDLO C=C(C)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448684632 338446508 /nfs/dbraw/zinc/44/65/08/338446508.db2.gz NQWDRBLSACKYAD-UHFFFAOYSA-N 1 2 314.345 2.819 20 30 DFEDLO CC#CCCCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341477511 334451913 /nfs/dbraw/zinc/45/19/13/334451913.db2.gz FXDHMCXFMXVEKB-AWEZNQCLSA-N 1 2 301.434 2.805 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000428043570 334712512 /nfs/dbraw/zinc/71/25/12/334712512.db2.gz QAWOSZVBCPKRGX-GOSISDBHSA-N 1 2 314.429 2.700 20 30 DFEDLO C=CCN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316687 334736795 /nfs/dbraw/zinc/73/67/95/334736795.db2.gz QIVBQGCSXPUAHE-INIZCTEOSA-N 1 2 308.385 2.860 20 30 DFEDLO CCc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1C ZINC000330606580 334791542 /nfs/dbraw/zinc/79/15/42/334791542.db2.gz NXSDUMLPWIBJPT-AWEZNQCLSA-N 1 2 305.422 2.604 20 30 DFEDLO CC[C@@H](C)n1ncc(NC(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000331128689 334842271 /nfs/dbraw/zinc/84/22/71/334842271.db2.gz OGWCAJYOMGECFN-LLVKDONJSA-N 1 2 304.398 2.574 20 30 DFEDLO CCO[C@H]1C[C@@]([NH2+]CCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000189874642 334914966 /nfs/dbraw/zinc/91/49/66/334914966.db2.gz XVNHRKCKLZMWQB-SUMWQHHRSA-N 1 2 310.438 2.653 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C2 ZINC000366878354 335275720 /nfs/dbraw/zinc/27/57/20/335275720.db2.gz JGKQNRVPIGNHSW-MRXNPFEDSA-N 1 2 322.412 2.738 20 30 DFEDLO N#CCCCN1C(=O)CCc2cc(NCc3[nH]cc[nH+]3)ccc21 ZINC000345452481 335326293 /nfs/dbraw/zinc/32/62/93/335326293.db2.gz GYKWAAXXXHDUBY-UHFFFAOYSA-N 1 2 309.373 2.605 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366909031 335338402 /nfs/dbraw/zinc/33/84/02/335338402.db2.gz FRKDIZYJHYDCHN-MRXNPFEDSA-N 1 2 322.836 2.796 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000345891587 335358909 /nfs/dbraw/zinc/35/89/09/335358909.db2.gz RTEYDJHVJOFDSB-UHFFFAOYSA-N 1 2 321.384 2.609 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000346348627 335396867 /nfs/dbraw/zinc/39/68/67/335396867.db2.gz OUXBNHJJTXRILI-CQSZACIVSA-N 1 2 300.406 2.999 20 30 DFEDLO N#CC1(F)CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000348708935 335603914 /nfs/dbraw/zinc/60/39/14/335603914.db2.gz ARKOSJOPAZUQNH-UHFFFAOYSA-N 1 2 316.355 2.898 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000329606431 336004597 /nfs/dbraw/zinc/00/45/97/336004597.db2.gz MNINNQOATUKREO-UHFFFAOYSA-N 1 2 320.437 2.648 20 30 DFEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000351104721 336013912 /nfs/dbraw/zinc/01/39/12/336013912.db2.gz USVJKRDYUKBMLI-UHFFFAOYSA-N 1 2 306.391 2.553 20 30 DFEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000351104721 336013913 /nfs/dbraw/zinc/01/39/13/336013913.db2.gz USVJKRDYUKBMLI-UHFFFAOYSA-N 1 2 306.391 2.553 20 30 DFEDLO O=C(NC[C@H]1CCCCS1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329676187 336037426 /nfs/dbraw/zinc/03/74/26/336037426.db2.gz VZXOUWMQGMYIRA-QWHCGFSZSA-N 1 2 308.451 2.550 20 30 DFEDLO C=CCCCC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351527803 336040436 /nfs/dbraw/zinc/04/04/36/336040436.db2.gz BOQUUGHQFBWFET-HUUCEWRRSA-N 1 2 323.412 2.676 20 30 DFEDLO C=CCCCC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351527803 336040437 /nfs/dbraw/zinc/04/04/37/336040437.db2.gz BOQUUGHQFBWFET-HUUCEWRRSA-N 1 2 323.412 2.676 20 30 DFEDLO C=CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000351645916 336054684 /nfs/dbraw/zinc/05/46/84/336054684.db2.gz YYEFBNVGFLKICR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO C=CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000351645916 336054686 /nfs/dbraw/zinc/05/46/86/336054686.db2.gz YYEFBNVGFLKICR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO CCN(CCOC)c1cccc(CN(C[C@H](C)C#N)C2CC2)[nH+]1 ZINC000351711307 336061580 /nfs/dbraw/zinc/06/15/80/336061580.db2.gz HJPTTWRKNHOAII-OAHLLOKOSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000351711307 336061582 /nfs/dbraw/zinc/06/15/82/336061582.db2.gz HJPTTWRKNHOAII-OAHLLOKOSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000351711307 336061583 /nfs/dbraw/zinc/06/15/83/336061583.db2.gz HJPTTWRKNHOAII-OAHLLOKOSA-N 1 2 316.449 2.678 20 30 DFEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329709221 336061704 /nfs/dbraw/zinc/06/17/04/336061704.db2.gz LLIBKZIYGYYPBO-CVEARBPZSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000329709221 336061705 /nfs/dbraw/zinc/06/17/05/336061705.db2.gz LLIBKZIYGYYPBO-CVEARBPZSA-N 1 2 324.384 2.728 20 30 DFEDLO O=C(NC[C@H]1CCCCS1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329720499 336070113 /nfs/dbraw/zinc/07/01/13/336070113.db2.gz BQVDVTJQAFUIKN-CQSZACIVSA-N 1 2 308.451 2.720 20 30 DFEDLO [O-]C(=[NH+]C[C@H]1CCCCS1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329720499 336070115 /nfs/dbraw/zinc/07/01/15/336070115.db2.gz BQVDVTJQAFUIKN-CQSZACIVSA-N 1 2 308.451 2.720 20 30 DFEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329746151 336076433 /nfs/dbraw/zinc/07/64/33/336076433.db2.gz YTRAMSGVCBAPRN-PJFSTRORSA-N 1 2 323.396 2.964 20 30 DFEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329746151 336076434 /nfs/dbraw/zinc/07/64/34/336076434.db2.gz YTRAMSGVCBAPRN-PJFSTRORSA-N 1 2 323.396 2.964 20 30 DFEDLO CNC(=O)Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000329784805 336081364 /nfs/dbraw/zinc/08/13/64/336081364.db2.gz POIYCRVFWBSYFB-WFASDCNBSA-N 1 2 323.462 2.661 20 30 DFEDLO CNC(=O)Cc1nc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000329784805 336081365 /nfs/dbraw/zinc/08/13/65/336081365.db2.gz POIYCRVFWBSYFB-WFASDCNBSA-N 1 2 323.462 2.661 20 30 DFEDLO CC(C)(CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000329790990 336082067 /nfs/dbraw/zinc/08/20/67/336082067.db2.gz DEXFJEZBYCAANX-HRCADAONSA-N 1 2 323.481 2.570 20 30 DFEDLO C[C@]1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCS1 ZINC000329878405 336091636 /nfs/dbraw/zinc/09/16/36/336091636.db2.gz KRWOEBVFGDOGHB-SWLSCSKDSA-N 1 2 308.451 2.789 20 30 DFEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1(C)C ZINC000329920682 336095642 /nfs/dbraw/zinc/09/56/42/336095642.db2.gz HCCPKLUMYYOOTG-KGLIPLIRSA-N 1 2 324.465 2.695 20 30 DFEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1(C)C ZINC000329920682 336095643 /nfs/dbraw/zinc/09/56/43/336095643.db2.gz HCCPKLUMYYOOTG-KGLIPLIRSA-N 1 2 324.465 2.695 20 30 DFEDLO CCC[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329957357 336099667 /nfs/dbraw/zinc/09/96/67/336099667.db2.gz PKAHDTBGWUEDIX-CABCVRRESA-N 1 2 304.438 2.872 20 30 DFEDLO CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCC1 ZINC000329980022 336102047 /nfs/dbraw/zinc/10/20/47/336102047.db2.gz KNPODGLHEWCNEO-KBPBESRZSA-N 1 2 322.428 2.869 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCCC1=O ZINC000330075427 336111480 /nfs/dbraw/zinc/11/14/80/336111480.db2.gz GIJFSNYOKSKJOT-SNVBAGLBSA-N 1 2 321.327 2.949 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330083760 336112082 /nfs/dbraw/zinc/11/20/82/336112082.db2.gz QOJIPDYNCMIRBI-WBVHZDCISA-N 1 2 310.438 2.546 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330083760 336112083 /nfs/dbraw/zinc/11/20/83/336112083.db2.gz QOJIPDYNCMIRBI-WBVHZDCISA-N 1 2 310.438 2.546 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330092691 336112987 /nfs/dbraw/zinc/11/29/87/336112987.db2.gz ZACNQTGKKSCWSR-VKJFTORMSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330092691 336112989 /nfs/dbraw/zinc/11/29/89/336112989.db2.gz ZACNQTGKKSCWSR-VKJFTORMSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330191219 336122672 /nfs/dbraw/zinc/12/26/72/336122672.db2.gz WWBPXUCTXKJAEJ-ZBFHGGJFSA-N 1 2 310.401 2.697 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330191219 336122673 /nfs/dbraw/zinc/12/26/73/336122673.db2.gz WWBPXUCTXKJAEJ-ZBFHGGJFSA-N 1 2 310.401 2.697 20 30 DFEDLO CCC1(CC)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330201025 336123530 /nfs/dbraw/zinc/12/35/30/336123530.db2.gz XEPFRJQMEDKYTF-CYBMUJFWSA-N 1 2 322.478 2.720 20 30 DFEDLO CCC1(CC)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330201025 336123531 /nfs/dbraw/zinc/12/35/31/336123531.db2.gz XEPFRJQMEDKYTF-CYBMUJFWSA-N 1 2 322.478 2.720 20 30 DFEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[nH]1 ZINC000330201566 336123834 /nfs/dbraw/zinc/12/38/34/336123834.db2.gz XZAMKUCWMREBCF-SDDRHHMPSA-N 1 2 316.409 2.795 20 30 DFEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000330201566 336123835 /nfs/dbraw/zinc/12/38/35/336123835.db2.gz XZAMKUCWMREBCF-SDDRHHMPSA-N 1 2 316.409 2.795 20 30 DFEDLO O=C(NCCOC1CCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330232400 336127514 /nfs/dbraw/zinc/12/75/14/336127514.db2.gz FMPNQJLFSHITLD-OAHLLOKOSA-N 1 2 320.437 2.611 20 30 DFEDLO [O-]C(=[NH+]CCOC1CCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330232400 336127516 /nfs/dbraw/zinc/12/75/16/336127516.db2.gz FMPNQJLFSHITLD-OAHLLOKOSA-N 1 2 320.437 2.611 20 30 DFEDLO Cc1cccc2c1OC[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC000330233268 336127728 /nfs/dbraw/zinc/12/77/28/336127728.db2.gz FXZJYVHGXABBPK-HUUCEWRRSA-N 1 2 311.385 2.714 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909322 336128272 /nfs/dbraw/zinc/12/82/72/336128272.db2.gz TZCDCUXADLSHGB-CHWSQXEVSA-N 1 2 323.437 2.669 20 30 DFEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909322 336128274 /nfs/dbraw/zinc/12/82/74/336128274.db2.gz TZCDCUXADLSHGB-CHWSQXEVSA-N 1 2 323.437 2.669 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccc(Cl)cc21 ZINC000330238746 336128379 /nfs/dbraw/zinc/12/83/79/336128379.db2.gz AVVWSSNQCKVIFU-CYBMUJFWSA-N 1 2 316.792 2.828 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331539686 336139721 /nfs/dbraw/zinc/13/97/21/336139721.db2.gz YHMOIHQQBVCZTG-ILXRZTDVSA-N 1 2 318.421 2.628 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(C)(C#N)CC1 ZINC000332048787 336156675 /nfs/dbraw/zinc/15/66/75/336156675.db2.gz NAHDXEOQUHFSMH-UHFFFAOYSA-N 1 2 310.401 2.887 20 30 DFEDLO CCc1onc(C)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330335558 336168190 /nfs/dbraw/zinc/16/81/90/336168190.db2.gz RROFXPSOVVKVCN-RISCZKNCSA-N 1 2 318.377 2.504 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000333419938 336203297 /nfs/dbraw/zinc/20/32/97/336203297.db2.gz LRVWEBJAJGXEQQ-KCXAZCMYSA-N 1 2 315.417 2.543 20 30 DFEDLO CCN1C(=O)C(C)(C)[NH2+]C12CCC(C#N)(c1ccccc1)CC2 ZINC000333947018 336213786 /nfs/dbraw/zinc/21/37/86/336213786.db2.gz VFESFKXSEBCHAT-UHFFFAOYSA-N 1 2 311.429 2.949 20 30 DFEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352442607 336219325 /nfs/dbraw/zinc/21/93/25/336219325.db2.gz UHGXDUCMVNCTDN-UHFFFAOYSA-N 1 2 307.325 2.821 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352457829 336220282 /nfs/dbraw/zinc/22/02/82/336220282.db2.gz FYWVLBMELJEPQJ-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352468791 336220890 /nfs/dbraw/zinc/22/08/90/336220890.db2.gz URSDUDZGBRXNOR-UHFFFAOYSA-N 1 2 317.408 2.900 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352485514 336221467 /nfs/dbraw/zinc/22/14/67/336221467.db2.gz YYVNYQPBTYRWGM-KBPBESRZSA-N 1 2 303.381 2.580 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000352484922 336221495 /nfs/dbraw/zinc/22/14/95/336221495.db2.gz VHFDTWHZVVVXCW-MRXNPFEDSA-N 1 2 315.392 2.508 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(C(C)C)C1=O ZINC000352802979 336239820 /nfs/dbraw/zinc/23/98/20/336239820.db2.gz NFDYJFSPPFLYKS-QGZVFWFLSA-N 1 2 320.433 2.549 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(C(C)C)C1=O ZINC000352802979 336239821 /nfs/dbraw/zinc/23/98/21/336239821.db2.gz NFDYJFSPPFLYKS-QGZVFWFLSA-N 1 2 320.433 2.549 20 30 DFEDLO C=CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190139693 336259771 /nfs/dbraw/zinc/25/97/71/336259771.db2.gz ZSVPZPPSUBKMMX-CYBMUJFWSA-N 1 2 314.307 2.634 20 30 DFEDLO C=CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190139693 336259772 /nfs/dbraw/zinc/25/97/72/336259772.db2.gz ZSVPZPPSUBKMMX-CYBMUJFWSA-N 1 2 314.307 2.634 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367138556 336286614 /nfs/dbraw/zinc/28/66/14/336286614.db2.gz QLUUZKZCBNKWET-HNNXBMFYSA-N 1 2 315.417 2.526 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC000352885850 336330812 /nfs/dbraw/zinc/33/08/12/336330812.db2.gz FBJFREHYDOCCGT-CQSZACIVSA-N 1 2 320.820 2.711 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC000352885850 336330813 /nfs/dbraw/zinc/33/08/13/336330813.db2.gz FBJFREHYDOCCGT-CQSZACIVSA-N 1 2 320.820 2.711 20 30 DFEDLO CC(C)c1nc(N2CCN(CC#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302879518 336372904 /nfs/dbraw/zinc/37/29/04/336372904.db2.gz GYMPSQDDHCIHBJ-UHFFFAOYSA-N 1 2 301.438 2.543 20 30 DFEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114723663 336664354 /nfs/dbraw/zinc/66/43/54/336664354.db2.gz ZMJCYQLVKZSOQB-UHFFFAOYSA-N 1 2 300.318 2.819 20 30 DFEDLO N#CCc1cccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000367342654 336669428 /nfs/dbraw/zinc/66/94/28/336669428.db2.gz OWXNHICQBHRVKV-KRWDZBQOSA-N 1 2 320.396 2.546 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000373393289 336958979 /nfs/dbraw/zinc/95/89/79/336958979.db2.gz OPKBBGZZJUHMDM-HUUCEWRRSA-N 1 2 320.437 2.848 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000375386495 337009842 /nfs/dbraw/zinc/00/98/42/337009842.db2.gz IFCJJIGBUNGZGY-OLMNPRSZSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000375386495 337009843 /nfs/dbraw/zinc/00/98/43/337009843.db2.gz IFCJJIGBUNGZGY-OLMNPRSZSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000305089388 337013060 /nfs/dbraw/zinc/01/30/60/337013060.db2.gz ZUNVEFUTWRFZMU-WDEREUQCSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000305089388 337013061 /nfs/dbraw/zinc/01/30/61/337013061.db2.gz ZUNVEFUTWRFZMU-WDEREUQCSA-N 1 2 317.216 2.967 20 30 DFEDLO C=CC[N@H+](Cc1cn2cccnc2n1)Cc1ccc(OC)cc1 ZINC000122586817 337013199 /nfs/dbraw/zinc/01/31/99/337013199.db2.gz AONSWNKSMNCCGZ-UHFFFAOYSA-N 1 2 308.385 2.926 20 30 DFEDLO C=CC[N@@H+](Cc1cn2cccnc2n1)Cc1ccc(OC)cc1 ZINC000122586817 337013200 /nfs/dbraw/zinc/01/32/00/337013200.db2.gz AONSWNKSMNCCGZ-UHFFFAOYSA-N 1 2 308.385 2.926 20 30 DFEDLO C#CCN(C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C1CCCC1 ZINC000375959074 337024300 /nfs/dbraw/zinc/02/43/00/337024300.db2.gz FEZQKPRPUMUUPI-HNNXBMFYSA-N 1 2 314.433 2.656 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376615219 337038207 /nfs/dbraw/zinc/03/82/07/337038207.db2.gz NSCWQXHIZKFFRK-GOEBONIOSA-N 1 2 322.412 2.731 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000377003421 337045012 /nfs/dbraw/zinc/04/50/12/337045012.db2.gz SJVAXATYKUKZNA-AWEZNQCLSA-N 1 2 317.437 2.639 20 30 DFEDLO N#C[C@H]1C[N@H+](CCCCCOc2ccccc2)CCN1C1CC1 ZINC000377009224 337045255 /nfs/dbraw/zinc/04/52/55/337045255.db2.gz FLGYZCGOLWOROY-SFHVURJKSA-N 1 2 313.445 2.908 20 30 DFEDLO N#C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CCN1C1CC1 ZINC000377009224 337045256 /nfs/dbraw/zinc/04/52/56/337045256.db2.gz FLGYZCGOLWOROY-SFHVURJKSA-N 1 2 313.445 2.908 20 30 DFEDLO CC(C)(C#N)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000377079678 337046384 /nfs/dbraw/zinc/04/63/84/337046384.db2.gz DDMAKLWHJBATBW-UHFFFAOYSA-N 1 2 300.337 2.567 20 30 DFEDLO C=CCn1c(C)nnc1SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175232168 337146368 /nfs/dbraw/zinc/14/63/68/337146368.db2.gz NWEAMUXQNCUMRA-UHFFFAOYSA-N 1 2 312.402 2.646 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000176577269 337152220 /nfs/dbraw/zinc/15/22/20/337152220.db2.gz REMCRQMLYYUZHQ-HNNXBMFYSA-N 1 2 322.474 2.902 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000178079023 337160396 /nfs/dbraw/zinc/16/03/96/337160396.db2.gz VMBMRGDLQKYABN-HNNXBMFYSA-N 1 2 311.809 2.642 20 30 DFEDLO C=CCC[C@H](O)C[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000178079023 337160397 /nfs/dbraw/zinc/16/03/97/337160397.db2.gz VMBMRGDLQKYABN-HNNXBMFYSA-N 1 2 311.809 2.642 20 30 DFEDLO C=C(Br)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000178862328 337165079 /nfs/dbraw/zinc/16/50/79/337165079.db2.gz HBIQSUTXVMGANT-JTQLQIEISA-N 1 2 307.232 2.740 20 30 DFEDLO C=C(Br)C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000178862328 337165080 /nfs/dbraw/zinc/16/50/80/337165080.db2.gz HBIQSUTXVMGANT-JTQLQIEISA-N 1 2 307.232 2.740 20 30 DFEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1c[nH+]ccc1OC ZINC000184888868 337200671 /nfs/dbraw/zinc/20/06/71/337200671.db2.gz CBEJZTFSZHKOPZ-UHFFFAOYSA-N 1 2 314.341 2.916 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000228479561 337255223 /nfs/dbraw/zinc/25/52/23/337255223.db2.gz VZPHCKCORUQYTH-SNVBAGLBSA-N 1 2 309.207 2.975 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000228479561 337255224 /nfs/dbraw/zinc/25/52/24/337255224.db2.gz VZPHCKCORUQYTH-SNVBAGLBSA-N 1 2 309.207 2.975 20 30 DFEDLO Cc1cc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000187253618 337264523 /nfs/dbraw/zinc/26/45/23/337264523.db2.gz CGOVOOWQRRJULA-UHFFFAOYSA-N 1 2 314.820 2.545 20 30 DFEDLO COc1ccccc1-n1nccc1CNc1cc(CC#N)cc[nH+]1 ZINC000584403650 337319735 /nfs/dbraw/zinc/31/97/35/337319735.db2.gz NXUFOEVGPGLMRZ-UHFFFAOYSA-N 1 2 319.368 2.954 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000572055568 337587890 /nfs/dbraw/zinc/58/78/90/337587890.db2.gz JRBRFKUQJJTAOZ-QGZVFWFLSA-N 1 2 313.445 2.896 20 30 DFEDLO Cc1cc(-c2csc(NC(N)=[NH2+])n2)c(C)n1-c1nccs1 ZINC000079046588 337613488 /nfs/dbraw/zinc/61/34/88/337613488.db2.gz VXOBJRSHOUKKHH-UHFFFAOYSA-N 1 2 318.431 2.579 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)nn1 ZINC000527910438 337770623 /nfs/dbraw/zinc/77/06/23/337770623.db2.gz OHSXOBFPNUJGIC-CQSZACIVSA-N 1 2 322.416 2.715 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)nn1 ZINC000424301357 337818064 /nfs/dbraw/zinc/81/80/64/337818064.db2.gz ZTTOEDSBWODOEN-LBPRGKRZSA-N 1 2 302.426 2.575 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424560400 337862391 /nfs/dbraw/zinc/86/23/91/337862391.db2.gz HRHIGBWGRZYSEI-QGZVFWFLSA-N 1 2 316.445 2.778 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000515354577 337986790 /nfs/dbraw/zinc/98/67/90/337986790.db2.gz CNQWMFHQTPDMGC-NSHDSACASA-N 1 2 310.195 2.669 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000516246281 338008664 /nfs/dbraw/zinc/00/86/64/338008664.db2.gz LIFFKAIPTHFQJP-SFHVURJKSA-N 1 2 312.417 2.652 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000432148982 338147209 /nfs/dbraw/zinc/14/72/09/338147209.db2.gz QQJFPFAHKYZFBB-CQSZACIVSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000432148982 338147210 /nfs/dbraw/zinc/14/72/10/338147210.db2.gz QQJFPFAHKYZFBB-CQSZACIVSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCc1cc(CNc2cccc(CO)[nH+]2)cc(OC)c1O ZINC000432760286 338166801 /nfs/dbraw/zinc/16/68/01/338166801.db2.gz ZPFYTIMLGDLOIJ-UHFFFAOYSA-N 1 2 300.358 2.629 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000433245319 338187786 /nfs/dbraw/zinc/18/77/86/338187786.db2.gz LCZYYDWQDGNTDB-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000433245319 338187787 /nfs/dbraw/zinc/18/77/87/338187787.db2.gz LCZYYDWQDGNTDB-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433311373 338191441 /nfs/dbraw/zinc/19/14/41/338191441.db2.gz LWKSLVRNVMHBGU-UHFFFAOYSA-N 1 2 301.434 2.689 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433311373 338191442 /nfs/dbraw/zinc/19/14/42/338191442.db2.gz LWKSLVRNVMHBGU-UHFFFAOYSA-N 1 2 301.434 2.689 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433317429 338192036 /nfs/dbraw/zinc/19/20/36/338192036.db2.gz LAPSTOKSCOQPIA-LBPRGKRZSA-N 1 2 319.405 2.512 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433317429 338192037 /nfs/dbraw/zinc/19/20/37/338192037.db2.gz LAPSTOKSCOQPIA-LBPRGKRZSA-N 1 2 319.405 2.512 20 30 DFEDLO CC#CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434371523 338215436 /nfs/dbraw/zinc/21/54/36/338215436.db2.gz DWIHKCRLRVRQJG-UHFFFAOYSA-N 1 2 314.433 2.522 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000438342694 338340432 /nfs/dbraw/zinc/34/04/32/338340432.db2.gz UFXQDSKERBCMKG-INIZCTEOSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000438342694 338340433 /nfs/dbraw/zinc/34/04/33/338340433.db2.gz UFXQDSKERBCMKG-INIZCTEOSA-N 1 2 302.418 2.598 20 30 DFEDLO COCC1(C#N)CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000450522453 338689162 /nfs/dbraw/zinc/68/91/62/338689162.db2.gz ZLKCGXJCBQPRQU-UHFFFAOYSA-N 1 2 321.384 2.868 20 30 DFEDLO C=C(C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450711882 338700411 /nfs/dbraw/zinc/70/04/11/338700411.db2.gz IHFFHIKYHDGYQN-UHFFFAOYSA-N 1 2 305.378 2.805 20 30 DFEDLO C=CCC1(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000454553652 338866559 /nfs/dbraw/zinc/86/65/59/338866559.db2.gz VTGYXEYRELCVKQ-HZPDHXFCSA-N 1 2 323.481 2.531 20 30 DFEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000455321278 338890378 /nfs/dbraw/zinc/89/03/78/338890378.db2.gz IVKULVPYKNMMSP-UHFFFAOYSA-N 1 2 305.397 2.619 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000455373461 338892016 /nfs/dbraw/zinc/89/20/16/338892016.db2.gz WCVYMZTUHRFZOX-OAHLLOKOSA-N 1 2 316.449 2.682 20 30 DFEDLO C=CC[C@@H]1N(C(=O)NCCc2cn(C)c[nH+]2)CCCC1(C)C ZINC000459155114 339014893 /nfs/dbraw/zinc/01/48/93/339014893.db2.gz UTNOSOKTIFPKOH-HNNXBMFYSA-N 1 2 304.438 2.739 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000459474017 339031333 /nfs/dbraw/zinc/03/13/33/339031333.db2.gz YJVUADMXNQDSHI-GHMZBOCLSA-N 1 2 316.386 2.623 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459673872 339042233 /nfs/dbraw/zinc/04/22/33/339042233.db2.gz IQOZMNIJFBILPA-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459673872 339042234 /nfs/dbraw/zinc/04/22/34/339042234.db2.gz IQOZMNIJFBILPA-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000466367138 339201027 /nfs/dbraw/zinc/20/10/27/339201027.db2.gz PZKWMHIXYCECKC-CQSZACIVSA-N 1 2 307.463 2.930 20 30 DFEDLO C#CCN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000490603406 339835463 /nfs/dbraw/zinc/83/54/63/339835463.db2.gz BNZJBVVOYXTNGW-UHFFFAOYSA-N 1 2 314.433 2.697 20 30 DFEDLO C#CCNC(=O)C1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000491046722 339847035 /nfs/dbraw/zinc/84/70/35/339847035.db2.gz RDUCOAOWXPYRCX-UHFFFAOYSA-N 1 2 307.397 2.509 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491181467 339852238 /nfs/dbraw/zinc/85/22/38/339852238.db2.gz SYFWFKSRMLQEAQ-UHFFFAOYSA-N 1 2 317.392 2.847 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc(F)cc1 ZINC000491485230 339863949 /nfs/dbraw/zinc/86/39/49/339863949.db2.gz NJAKUOMHAYFNSR-IBGZPJMESA-N 1 2 320.371 2.930 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000491495328 339864244 /nfs/dbraw/zinc/86/42/44/339864244.db2.gz IMBCYMXTCKRAJQ-JKSUJKDBSA-N 1 2 324.428 2.931 20 30 DFEDLO C#C[C@H](CC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491553825 339866633 /nfs/dbraw/zinc/86/66/33/339866633.db2.gz DABVCWCVXDYRLO-GOEBONIOSA-N 1 2 315.417 2.613 20 30 DFEDLO COC(=O)N1CCC([C@@H](C)/[NH+]=C\c2cccc(OC)c2O)CC1 ZINC000492326478 339897770 /nfs/dbraw/zinc/89/77/70/339897770.db2.gz FLWRMFMROZMTJC-OTWJJXBCSA-N 1 2 320.389 2.687 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493696887 339931407 /nfs/dbraw/zinc/93/14/07/339931407.db2.gz RLIULBJUBWYCPH-USQNJUIBSA-N 1 2 306.369 2.721 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000496542137 340007505 /nfs/dbraw/zinc/00/75/05/340007505.db2.gz HTOHFJCFWQIISA-ZIAGYGMSSA-N 1 2 305.422 2.621 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000496542137 340007506 /nfs/dbraw/zinc/00/75/06/340007506.db2.gz HTOHFJCFWQIISA-ZIAGYGMSSA-N 1 2 305.422 2.621 20 30 DFEDLO CC[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000505259863 340164996 /nfs/dbraw/zinc/16/49/96/340164996.db2.gz KYUQFBPAYLBAEJ-SFHVURJKSA-N 1 2 315.461 2.728 20 30 DFEDLO N#CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000541022061 340956439 /nfs/dbraw/zinc/95/64/39/340956439.db2.gz XNPSCTWMAZYEAF-UHFFFAOYSA-N 1 2 316.792 2.776 20 30 DFEDLO COC(=O)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000543543113 341048689 /nfs/dbraw/zinc/04/86/89/341048689.db2.gz FIFUUKBFCSJSLH-QGZVFWFLSA-N 1 2 300.402 2.964 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1Cc1ccccc1 ZINC000543702194 341054126 /nfs/dbraw/zinc/05/41/26/341054126.db2.gz NDBCQXHZVSKJAA-UHFFFAOYSA-N 1 2 323.400 2.545 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1Cc1ccccc1 ZINC000543702194 341054127 /nfs/dbraw/zinc/05/41/27/341054127.db2.gz NDBCQXHZVSKJAA-UHFFFAOYSA-N 1 2 323.400 2.545 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000072692687 341099000 /nfs/dbraw/zinc/09/90/00/341099000.db2.gz DNBJMXYYRMGBJH-UHFFFAOYSA-N 1 2 318.446 2.908 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000072692687 341099001 /nfs/dbraw/zinc/09/90/01/341099001.db2.gz DNBJMXYYRMGBJH-UHFFFAOYSA-N 1 2 318.446 2.908 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCC(C#N)CC1 ZINC000545948992 341147994 /nfs/dbraw/zinc/14/79/94/341147994.db2.gz PCHZREFDNUNMBT-ZDUSSCGKSA-N 1 2 323.400 2.639 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(CC#N)CC1 ZINC000547482972 341216457 /nfs/dbraw/zinc/21/64/57/341216457.db2.gz DLWGNUSPDSJTRE-UHFFFAOYSA-N 1 2 310.401 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000078340282 341240759 /nfs/dbraw/zinc/24/07/59/341240759.db2.gz BXZOEEIGHOUXPE-GJZGRUSLSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000078340282 341240760 /nfs/dbraw/zinc/24/07/60/341240760.db2.gz BXZOEEIGHOUXPE-GJZGRUSLSA-N 1 2 322.474 2.762 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000078880763 341248774 /nfs/dbraw/zinc/24/87/74/341248774.db2.gz FBQVURLIQFMHGL-JXMROGBWSA-N 1 2 322.368 2.702 20 30 DFEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](CC)CC#N ZINC000564342819 341250655 /nfs/dbraw/zinc/25/06/55/341250655.db2.gz HXGSUQJCDYVVLK-GDBMZVCRSA-N 1 2 317.433 2.934 20 30 DFEDLO COc1ccc(Br)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000548788402 341275681 /nfs/dbraw/zinc/27/56/81/341275681.db2.gz WXTHRFRLFAQYOP-LLVKDONJSA-N 1 2 322.206 2.991 20 30 DFEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000549152187 341287287 /nfs/dbraw/zinc/28/72/87/341287287.db2.gz MNFFZBAXEHNLMA-GOEBONIOSA-N 1 2 312.417 2.748 20 30 DFEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000549152228 341287357 /nfs/dbraw/zinc/28/73/57/341287357.db2.gz MNFFZBAXEHNLMA-ZBFHGGJFSA-N 1 2 312.417 2.748 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000249302699 341396201 /nfs/dbraw/zinc/39/62/01/341396201.db2.gz MBBKAWLKEVVPDF-CABCVRRESA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000249302699 341396202 /nfs/dbraw/zinc/39/62/02/341396202.db2.gz MBBKAWLKEVVPDF-CABCVRRESA-N 1 2 304.438 2.985 20 30 DFEDLO N#CCCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000565772846 341537828 /nfs/dbraw/zinc/53/78/28/341537828.db2.gz HKBHIHBQFVTZHU-UHFFFAOYSA-N 1 2 324.421 2.615 20 30 DFEDLO C=CC1CC[NH+]([C@H](C(=O)OC)c2cccc(C(=O)OC)c2)CC1 ZINC000156737460 341625796 /nfs/dbraw/zinc/62/57/96/341625796.db2.gz LUNPMNBYYZTZPE-INIZCTEOSA-N 1 2 317.385 2.585 20 30 DFEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000575926012 341815079 /nfs/dbraw/zinc/81/50/79/341815079.db2.gz INULNMFTJKKHHA-CXAGYDPISA-N 1 2 321.852 2.869 20 30 DFEDLO C=CCCCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651068537 500574283 /nfs/dbraw/zinc/57/42/83/500574283.db2.gz ZKJWESKUCINVSS-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)nn1 ZINC000424291208 500581384 /nfs/dbraw/zinc/58/13/84/500581384.db2.gz DHDSXYPHRXRRKT-LLVKDONJSA-N 1 2 303.435 2.650 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000184999824 500993760 /nfs/dbraw/zinc/99/37/60/500993760.db2.gz AGPPVRICWJJYDU-SNVBAGLBSA-N 1 2 318.402 2.822 20 30 DFEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299479226 533920322 /nfs/dbraw/zinc/92/03/22/533920322.db2.gz CETDTFXZIWPESN-CZUORRHYSA-N 1 2 324.384 2.802 20 30 DFEDLO CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCS1 ZINC000328599498 517785798 /nfs/dbraw/zinc/78/57/98/517785798.db2.gz CBRMGMCHMFSTAH-CHWSQXEVSA-N 1 2 308.451 2.502 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000157222731 523526295 /nfs/dbraw/zinc/52/62/95/523526295.db2.gz LKNKANNZHYISNO-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000157222731 523526308 /nfs/dbraw/zinc/52/63/08/523526308.db2.gz LKNKANNZHYISNO-IBGZPJMESA-N 1 2 324.380 2.846 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000364985559 526607385 /nfs/dbraw/zinc/60/73/85/526607385.db2.gz RFYKXZSQFATTOH-INIZCTEOSA-N 1 2 320.396 2.508 20 30 DFEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000155878824 526720333 /nfs/dbraw/zinc/72/03/33/526720333.db2.gz RVDWIZOQYQIFKS-MRXNPFEDSA-N 1 2 321.384 2.744 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000332554403 528939056 /nfs/dbraw/zinc/93/90/56/528939056.db2.gz LWZOFUYPIGLUOC-KRWDZBQOSA-N 1 2 322.412 2.754 20 30 DFEDLO COc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccc1C#N ZINC000357619290 536814512 /nfs/dbraw/zinc/81/45/12/536814512.db2.gz QOFFDVHJPACJNB-UHFFFAOYSA-N 1 2 323.400 2.959 20 30 DFEDLO COc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccc1C#N ZINC000357619290 536814520 /nfs/dbraw/zinc/81/45/20/536814520.db2.gz QOFFDVHJPACJNB-UHFFFAOYSA-N 1 2 323.400 2.959 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000681595064 545677669 /nfs/dbraw/zinc/67/76/69/545677669.db2.gz LDHMPZBBZGTSPO-CYBMUJFWSA-N 1 2 313.426 2.906 20 30 DFEDLO C=C[C@@H](CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000681889266 545744954 /nfs/dbraw/zinc/74/49/54/545744954.db2.gz JZKOYJSGSKVVBP-DOTOQJQBSA-N 1 2 324.428 2.585 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000684928916 546303918 /nfs/dbraw/zinc/30/39/18/546303918.db2.gz GZLKVWAQBJLTBI-GJZGRUSLSA-N 1 2 320.437 2.553 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000684928916 546303921 /nfs/dbraw/zinc/30/39/21/546303921.db2.gz GZLKVWAQBJLTBI-GJZGRUSLSA-N 1 2 320.437 2.553 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000685871889 546402966 /nfs/dbraw/zinc/40/29/66/546402966.db2.gz CWFRHLCBIZONQN-LSDHHAIUSA-N 1 2 305.422 2.938 20 30 DFEDLO C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)[O-])CC1 ZINC000823507101 605499884 /nfs/dbraw/zinc/49/98/84/605499884.db2.gz SDVMDWHTTFOFOD-NVXWUHKLSA-N 1 2 323.481 2.928 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cnc(C#N)cn1 ZINC000274715721 282080246 /nfs/dbraw/zinc/08/02/46/282080246.db2.gz WNSYEJUJGFEJSZ-OAHLLOKOSA-N 1 2 318.384 2.675 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000278447797 214159430 /nfs/dbraw/zinc/15/94/30/214159430.db2.gz UEQNCYDWHYNEPI-HNNXBMFYSA-N 1 2 314.454 2.616 20 30 DFEDLO Cc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(C2CC2)[nH+]1 ZINC000291782870 222613552 /nfs/dbraw/zinc/61/35/52/222613552.db2.gz IHAWCCYOUGJWDJ-OAHLLOKOSA-N 1 2 321.384 2.587 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(F)F)CC1 ZINC000307880765 231094336 /nfs/dbraw/zinc/09/43/36/231094336.db2.gz OYOJXQKEKOKANA-LLVKDONJSA-N 1 2 307.344 2.862 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC000450548985 398346360 /nfs/dbraw/zinc/34/63/60/398346360.db2.gz JTSPVWITGCIHFW-HNNXBMFYSA-N 1 2 316.380 2.715 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCC1 ZINC000450548985 398346362 /nfs/dbraw/zinc/34/63/62/398346362.db2.gz JTSPVWITGCIHFW-HNNXBMFYSA-N 1 2 316.380 2.715 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@@H]3C#N)cn2c1 ZINC000596177681 398348306 /nfs/dbraw/zinc/34/83/06/398348306.db2.gz FHUNMCHLDXYTQC-HIFRSBDPSA-N 1 2 311.389 2.524 20 30 DFEDLO N#Cc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)sc1Cl ZINC000596214038 398358707 /nfs/dbraw/zinc/35/87/07/398358707.db2.gz AXLVDDBQYMSKSF-SNVBAGLBSA-N 1 2 306.778 2.721 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CC2CCC1CC2 ZINC000591963519 398364391 /nfs/dbraw/zinc/36/43/91/398364391.db2.gz GIRWGFSQDZYPEB-RUXDESIVSA-N 1 2 310.405 2.978 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000526996719 398361007 /nfs/dbraw/zinc/36/10/07/398361007.db2.gz WMSKYPNWRWJMTN-UHFFFAOYSA-N 1 2 310.401 2.894 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066311059 398368594 /nfs/dbraw/zinc/36/85/94/398368594.db2.gz JWJPCAMLUYCBIV-OAHLLOKOSA-N 1 2 313.401 2.529 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000331927197 529591415 /nfs/dbraw/zinc/59/14/15/529591415.db2.gz PCSFMFNQHZYWCD-HNNXBMFYSA-N 1 2 324.384 2.848 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)cc2n1C ZINC000578949082 398377101 /nfs/dbraw/zinc/37/71/01/398377101.db2.gz QRZHIWZNCJQKFW-CQSZACIVSA-N 1 2 319.368 2.779 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(c2ccccc2)CC1 ZINC000579014254 398377818 /nfs/dbraw/zinc/37/78/18/398377818.db2.gz PWCLWURVBBWEKG-FAFZWHIHSA-N 1 2 313.445 2.920 20 30 DFEDLO CCN1C[C@H](C[N@H+](C)Cc2ccncc2C#N)Oc2ccccc21 ZINC000592059173 398378711 /nfs/dbraw/zinc/37/87/11/398378711.db2.gz PSLSIIZNCNBOCG-KRWDZBQOSA-N 1 2 322.412 2.673 20 30 DFEDLO CCN1C[C@H](C[N@@H+](C)Cc2ccncc2C#N)Oc2ccccc21 ZINC000592059173 398378716 /nfs/dbraw/zinc/37/87/16/398378716.db2.gz PSLSIIZNCNBOCG-KRWDZBQOSA-N 1 2 322.412 2.673 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000592071376 398380128 /nfs/dbraw/zinc/38/01/28/398380128.db2.gz IHHWIWQFGRSBRE-SFHVURJKSA-N 1 2 315.417 2.503 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278195966 214017543 /nfs/dbraw/zinc/01/75/43/214017543.db2.gz WBIMRHACVVJUQU-LSDHHAIUSA-N 1 2 310.357 2.534 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278195966 214017545 /nfs/dbraw/zinc/01/75/45/214017545.db2.gz WBIMRHACVVJUQU-LSDHHAIUSA-N 1 2 310.357 2.534 20 30 DFEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccncc1C#N ZINC000592124933 398388144 /nfs/dbraw/zinc/38/81/44/398388144.db2.gz NGBSYYQHZGGHBR-UKRRQHHQSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccncc1C#N ZINC000592124933 398388148 /nfs/dbraw/zinc/38/81/48/398388148.db2.gz NGBSYYQHZGGHBR-UKRRQHHQSA-N 1 2 315.417 2.895 20 30 DFEDLO Cc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)ccc1Br ZINC000592152795 398392007 /nfs/dbraw/zinc/39/20/07/398392007.db2.gz DIZPDDXORZWHQY-CQSZACIVSA-N 1 2 309.207 2.608 20 30 DFEDLO Cc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)ccc1Br ZINC000592152795 398392011 /nfs/dbraw/zinc/39/20/11/398392011.db2.gz DIZPDDXORZWHQY-CQSZACIVSA-N 1 2 309.207 2.608 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000592150056 398392151 /nfs/dbraw/zinc/39/21/51/398392151.db2.gz AMBVGRQLRFCDSE-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000592150056 398392156 /nfs/dbraw/zinc/39/21/56/398392156.db2.gz AMBVGRQLRFCDSE-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccsc1)C1(C#N)CCCCC1 ZINC000015029693 398392373 /nfs/dbraw/zinc/39/23/73/398392373.db2.gz JKECHJWACIDHGE-UHFFFAOYSA-N 1 2 305.447 2.865 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccsc1)C1(C#N)CCCCC1 ZINC000015029693 398392377 /nfs/dbraw/zinc/39/23/77/398392377.db2.gz JKECHJWACIDHGE-UHFFFAOYSA-N 1 2 305.447 2.865 20 30 DFEDLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151135 398392685 /nfs/dbraw/zinc/39/26/85/398392685.db2.gz MOUWEJLUVPQYBT-BXUZGUMPSA-N 1 2 309.207 2.861 20 30 DFEDLO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151135 398392687 /nfs/dbraw/zinc/39/26/87/398392687.db2.gz MOUWEJLUVPQYBT-BXUZGUMPSA-N 1 2 309.207 2.861 20 30 DFEDLO Cc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592155138 398393586 /nfs/dbraw/zinc/39/35/86/398393586.db2.gz YMOIXKWGUWKXPO-CQSZACIVSA-N 1 2 309.207 2.608 20 30 DFEDLO Cc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592155138 398393589 /nfs/dbraw/zinc/39/35/89/398393589.db2.gz YMOIXKWGUWKXPO-CQSZACIVSA-N 1 2 309.207 2.608 20 30 DFEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831739 185344625 /nfs/dbraw/zinc/34/46/25/185344625.db2.gz BHODOKTXENUXBB-MRXNPFEDSA-N 1 2 314.410 2.729 20 30 DFEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831739 185344626 /nfs/dbraw/zinc/34/46/26/185344626.db2.gz BHODOKTXENUXBB-MRXNPFEDSA-N 1 2 314.410 2.729 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000017843322 398405050 /nfs/dbraw/zinc/40/50/50/398405050.db2.gz WZAPBLGSMOEVBO-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO C=C[C@H]([NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC ZINC000592446158 398427186 /nfs/dbraw/zinc/42/71/86/398427186.db2.gz XKMMSCSREDENIH-FZMZJTMJSA-N 1 2 318.804 2.996 20 30 DFEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000297453037 529915998 /nfs/dbraw/zinc/91/59/98/529915998.db2.gz PIVMLDHGAJNPGG-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000297453037 529916000 /nfs/dbraw/zinc/91/60/00/529916000.db2.gz PIVMLDHGAJNPGG-UHFFFAOYSA-N 1 2 307.369 2.654 20 30 DFEDLO C[C@@H](Nc1ncc(Br)cc1C#N)c1[nH+]ccn1C ZINC000596541278 398443153 /nfs/dbraw/zinc/44/31/53/398443153.db2.gz DYDUATWTUPIXAC-MRVPVSSYSA-N 1 2 306.167 2.622 20 30 DFEDLO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323192 398451624 /nfs/dbraw/zinc/45/16/24/398451624.db2.gz XHBSOIPWLICASD-UHFFFAOYSA-N 1 2 305.381 2.579 20 30 DFEDLO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323192 398451626 /nfs/dbraw/zinc/45/16/26/398451626.db2.gz XHBSOIPWLICASD-UHFFFAOYSA-N 1 2 305.381 2.579 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccncc1 ZINC000596594426 398456034 /nfs/dbraw/zinc/45/60/34/398456034.db2.gz UTLSKZZVFRJXKJ-SFHVURJKSA-N 1 2 320.396 2.975 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccncc1 ZINC000596594426 398456037 /nfs/dbraw/zinc/45/60/37/398456037.db2.gz UTLSKZZVFRJXKJ-SFHVURJKSA-N 1 2 320.396 2.975 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773084 398456301 /nfs/dbraw/zinc/45/63/01/398456301.db2.gz NLTJBJRRRAXCNE-ZDUSSCGKSA-N 1 2 317.307 2.787 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773084 398456303 /nfs/dbraw/zinc/45/63/03/398456303.db2.gz NLTJBJRRRAXCNE-ZDUSSCGKSA-N 1 2 317.307 2.787 20 30 DFEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CCC#N)CC1 ZINC000026886851 398457700 /nfs/dbraw/zinc/45/77/00/398457700.db2.gz KPEBFZHWFNDCDU-CYBMUJFWSA-N 1 2 300.431 2.889 20 30 DFEDLO CC1(C)CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657994 398473498 /nfs/dbraw/zinc/47/34/98/398473498.db2.gz FONNUTJWDAMTOP-QGZVFWFLSA-N 1 2 311.429 2.639 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000588147513 398484803 /nfs/dbraw/zinc/48/48/03/398484803.db2.gz WSYWKJDNTHAARI-UHFFFAOYSA-N 1 2 305.447 2.866 20 30 DFEDLO COC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000588202072 398489313 /nfs/dbraw/zinc/48/93/13/398489313.db2.gz UBTCOVWRYFFPKL-AWEZNQCLSA-N 1 2 309.207 2.932 20 30 DFEDLO COC[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000588202072 398489317 /nfs/dbraw/zinc/48/93/17/398489317.db2.gz UBTCOVWRYFFPKL-AWEZNQCLSA-N 1 2 309.207 2.932 20 30 DFEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000588258586 398491555 /nfs/dbraw/zinc/49/15/55/398491555.db2.gz UTUZGNHBFOJGLH-UHFFFAOYSA-N 1 2 305.447 2.866 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000297443245 398491736 /nfs/dbraw/zinc/49/17/36/398491736.db2.gz BATWRYFVBPELDC-QAPCUYQASA-N 1 2 322.412 2.657 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(C(=O)CCCCCC#N)CC2)s1 ZINC000588359650 398495869 /nfs/dbraw/zinc/49/58/69/398495869.db2.gz OATOHMPTMONOJU-UHFFFAOYSA-N 1 2 320.462 2.570 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCCO2)c1C#N ZINC000091066741 398507380 /nfs/dbraw/zinc/50/73/80/398507380.db2.gz FALZUQORWWOLTR-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCCO2)c1C#N ZINC000091066741 398507382 /nfs/dbraw/zinc/50/73/82/398507382.db2.gz FALZUQORWWOLTR-MRXNPFEDSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H](C)O)CC2)c1C#N ZINC000091069442 398507440 /nfs/dbraw/zinc/50/74/40/398507440.db2.gz KZYOSFNLBHTUFP-HNNXBMFYSA-N 1 2 324.428 2.645 20 30 DFEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000593017304 398521027 /nfs/dbraw/zinc/52/10/27/398521027.db2.gz BOQVYHQUGJAPQM-GOSISDBHSA-N 1 2 316.449 2.535 20 30 DFEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593018761 398521495 /nfs/dbraw/zinc/52/14/95/398521495.db2.gz FDTBONIHWQGSHE-VIFPVBQESA-N 1 2 300.318 2.922 20 30 DFEDLO C[C@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000596935640 398533050 /nfs/dbraw/zinc/53/30/50/398533050.db2.gz HUIHNYISVABPBE-LBPRGKRZSA-N 1 2 311.389 2.587 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(-c3ccccc3)c2)n1 ZINC000279725709 215094329 /nfs/dbraw/zinc/09/43/29/215094329.db2.gz MLKUMAFQEYABNX-UHFFFAOYSA-N 1 2 319.412 2.724 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(-c3ccccc3)c2)n1 ZINC000279725709 215094332 /nfs/dbraw/zinc/09/43/32/215094332.db2.gz MLKUMAFQEYABNX-UHFFFAOYSA-N 1 2 319.412 2.724 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593091125 398542813 /nfs/dbraw/zinc/54/28/13/398542813.db2.gz FPQMBYUCPJEWDI-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593091125 398542816 /nfs/dbraw/zinc/54/28/16/398542816.db2.gz FPQMBYUCPJEWDI-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589314191 398544618 /nfs/dbraw/zinc/54/46/18/398544618.db2.gz UDJOSTACECEWAH-CYBMUJFWSA-N 1 2 301.371 2.637 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)NCc3ccc(C#N)cc3)cn21 ZINC000069069260 398545846 /nfs/dbraw/zinc/54/58/46/398545846.db2.gz YFNFXKKGOUODSY-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO N#Cc1c(F)cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000597009514 398546111 /nfs/dbraw/zinc/54/61/11/398546111.db2.gz SQHZVPUTDNXITA-AWEZNQCLSA-N 1 2 316.311 2.927 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3cccc(C#N)n3)ccc2[nH+]1 ZINC000589337279 398547151 /nfs/dbraw/zinc/54/71/51/398547151.db2.gz YMKFUVGSWDAVHX-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO CCC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000091968163 398551364 /nfs/dbraw/zinc/55/13/64/398551364.db2.gz PUKZWOMPWNCAGC-JKSUJKDBSA-N 1 2 317.458 2.585 20 30 DFEDLO COC(=O)c1ccccc1OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125181 398552300 /nfs/dbraw/zinc/55/23/00/398552300.db2.gz BEDWULIJADRSTL-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1ccccc1OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125181 398552304 /nfs/dbraw/zinc/55/23/04/398552304.db2.gz BEDWULIJADRSTL-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1cccc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000039308518 398559502 /nfs/dbraw/zinc/55/95/02/398559502.db2.gz IYINOCNLFUILAM-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000039308518 398559506 /nfs/dbraw/zinc/55/95/06/398559506.db2.gz IYINOCNLFUILAM-UHFFFAOYSA-N 1 2 306.365 2.903 20 30 DFEDLO C=CCC1(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000332972778 398573743 /nfs/dbraw/zinc/57/37/43/398573743.db2.gz SZPMYADNDHZKDS-ZFWWWQNUSA-N 1 2 303.406 2.503 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000280564903 334968724 /nfs/dbraw/zinc/96/87/24/334968724.db2.gz GCKMQFIDETWXOT-KURKYZTESA-N 1 2 317.429 2.650 20 30 DFEDLO C[N@H+](Cc1cnc[nH]1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597171322 398581717 /nfs/dbraw/zinc/58/17/17/398581717.db2.gz JRCLLGAWPWVIJH-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO C[N@@H+](Cc1cnc[nH]1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597171322 398581720 /nfs/dbraw/zinc/58/17/20/398581720.db2.gz JRCLLGAWPWVIJH-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO C[N@H+](Cc1c[nH]cn1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597171322 398581722 /nfs/dbraw/zinc/58/17/22/398581722.db2.gz JRCLLGAWPWVIJH-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO C[N@@H+](Cc1c[nH]cn1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000597171322 398581724 /nfs/dbraw/zinc/58/17/24/398581724.db2.gz JRCLLGAWPWVIJH-UHFFFAOYSA-N 1 2 320.400 2.819 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000597180670 398583326 /nfs/dbraw/zinc/58/33/26/398583326.db2.gz XKXQKBRMTCSPLE-HUUCEWRRSA-N 1 2 312.348 2.610 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCN(c2ccsc2C#N)CC1 ZINC000597183622 398583975 /nfs/dbraw/zinc/58/39/75/398583975.db2.gz NQXAFUNTOLBEQG-UHFFFAOYSA-N 1 2 315.446 2.719 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000042157194 398584630 /nfs/dbraw/zinc/58/46/30/398584630.db2.gz FKIWFVLQCZIGLV-KRWDZBQOSA-N 1 2 319.836 2.970 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000042157194 398584632 /nfs/dbraw/zinc/58/46/32/398584632.db2.gz FKIWFVLQCZIGLV-KRWDZBQOSA-N 1 2 319.836 2.970 20 30 DFEDLO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c(OC)c1OC ZINC000597196524 398587348 /nfs/dbraw/zinc/58/73/48/398587348.db2.gz FGSBWTSYEMSPPR-GXTWGEPZSA-N 1 2 304.390 2.884 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597196531 398587366 /nfs/dbraw/zinc/58/73/66/398587366.db2.gz FOETVWGXYLNWMA-GXTWGEPZSA-N 1 2 304.390 2.884 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000590126302 398597927 /nfs/dbraw/zinc/59/79/27/398597927.db2.gz NPEBVRMNMFNBQC-DAXSKMNVSA-N 1 2 309.413 2.538 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000590131747 398599128 /nfs/dbraw/zinc/59/91/28/398599128.db2.gz XMSWITMGYUQXJV-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO N#CCCCOc1cccc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000597235204 398599791 /nfs/dbraw/zinc/59/97/91/398599791.db2.gz FXEJCPDAHGQCHF-UHFFFAOYSA-N 1 2 308.385 2.717 20 30 DFEDLO N#CCCCOc1cccc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000597235204 398599796 /nfs/dbraw/zinc/59/97/96/398599796.db2.gz FXEJCPDAHGQCHF-UHFFFAOYSA-N 1 2 308.385 2.717 20 30 DFEDLO C[C@H](c1cccc(NC(=O)CC2(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000590219704 398605649 /nfs/dbraw/zinc/60/56/49/398605649.db2.gz JOFHZKVDJYHIDO-CQSZACIVSA-N 1 2 313.401 2.712 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(CC2(C#N)CC2)n1 ZINC000590272700 398608706 /nfs/dbraw/zinc/60/87/06/398608706.db2.gz DJVVVAQNRZVMTE-UHFFFAOYSA-N 1 2 307.357 2.817 20 30 DFEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000597257697 398609408 /nfs/dbraw/zinc/60/94/08/398609408.db2.gz HYASOQWQNPLASO-UHFFFAOYSA-N 1 2 320.400 2.514 20 30 DFEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000597257697 398609410 /nfs/dbraw/zinc/60/94/10/398609410.db2.gz HYASOQWQNPLASO-UHFFFAOYSA-N 1 2 320.400 2.514 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597289465 398615231 /nfs/dbraw/zinc/61/52/31/398615231.db2.gz BSVHZPUWXAJULF-UHFFFAOYSA-N 1 2 318.327 2.619 20 30 DFEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000043329698 398618835 /nfs/dbraw/zinc/61/88/35/398618835.db2.gz NIUYXBQMSLWKPA-UHFFFAOYSA-N 1 2 321.384 2.875 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000593416930 398622746 /nfs/dbraw/zinc/62/27/46/398622746.db2.gz FISNWLVQRVEBLV-NEPJUHHUSA-N 1 2 306.435 2.863 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000593416930 398622750 /nfs/dbraw/zinc/62/27/50/398622750.db2.gz FISNWLVQRVEBLV-NEPJUHHUSA-N 1 2 306.435 2.863 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000590476932 398625136 /nfs/dbraw/zinc/62/51/36/398625136.db2.gz ZTMIZOPUSZYDSJ-SJORKVTESA-N 1 2 322.412 2.997 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000590476929 398625325 /nfs/dbraw/zinc/62/53/25/398625325.db2.gz ZTMIZOPUSZYDSJ-DLBZAZTESA-N 1 2 322.412 2.997 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567915 398632111 /nfs/dbraw/zinc/63/21/11/398632111.db2.gz XIEOWDFUMMDMRO-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000597415961 398637610 /nfs/dbraw/zinc/63/76/10/398637610.db2.gz RZENELFYRPZZEC-GFCCVEGCSA-N 1 2 324.384 2.812 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000597415961 398637613 /nfs/dbraw/zinc/63/76/13/398637613.db2.gz RZENELFYRPZZEC-GFCCVEGCSA-N 1 2 324.384 2.812 20 30 DFEDLO CC[C@@H](C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000593510420 398650007 /nfs/dbraw/zinc/65/00/07/398650007.db2.gz WVZDLKYNSAJUNC-INIZCTEOSA-N 1 2 310.401 2.682 20 30 DFEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCNC1=O ZINC000365879240 398649366 /nfs/dbraw/zinc/64/93/66/398649366.db2.gz GEAJFIYIEZTOAU-OAHLLOKOSA-N 1 2 324.346 2.657 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCNC1=O ZINC000365879240 398649370 /nfs/dbraw/zinc/64/93/70/398649370.db2.gz GEAJFIYIEZTOAU-OAHLLOKOSA-N 1 2 324.346 2.657 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCCC1(F)F ZINC000590717247 398657254 /nfs/dbraw/zinc/65/72/54/398657254.db2.gz UTSTUHSOQJNFQD-SNVBAGLBSA-N 1 2 306.320 2.587 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1Cl ZINC000593688319 398671196 /nfs/dbraw/zinc/67/11/96/398671196.db2.gz OMYWMLJMZCXQCD-KQHSUYLTSA-N 1 2 311.834 2.610 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1Cl ZINC000593688319 398671198 /nfs/dbraw/zinc/67/11/98/398671198.db2.gz OMYWMLJMZCXQCD-KQHSUYLTSA-N 1 2 311.834 2.610 20 30 DFEDLO COC(=O)COc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593698810 398673845 /nfs/dbraw/zinc/67/38/45/398673845.db2.gz WIAAFIHORLRNHA-UHFFFAOYSA-N 1 2 322.364 2.626 20 30 DFEDLO COC(=O)COc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593698810 398673850 /nfs/dbraw/zinc/67/38/50/398673850.db2.gz WIAAFIHORLRNHA-UHFFFAOYSA-N 1 2 322.364 2.626 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000072634985 191205541 /nfs/dbraw/zinc/20/55/41/191205541.db2.gz SDDXZRVPTSCAIH-UHFFFAOYSA-N 1 2 301.415 2.933 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000597663041 398676504 /nfs/dbraw/zinc/67/65/04/398676504.db2.gz YORVDJKKKOORHB-CYBMUJFWSA-N 1 2 310.401 2.894 20 30 DFEDLO CC1(C)C[C@@]1(C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597670306 398678228 /nfs/dbraw/zinc/67/82/28/398678228.db2.gz PSIRNXWTLUBHEN-KSSFIOAISA-N 1 2 308.385 2.740 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590858584 398688547 /nfs/dbraw/zinc/68/85/47/398688547.db2.gz OEXMWRYFRWTJHA-MRXNPFEDSA-N 1 2 309.373 2.932 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000593972271 398711791 /nfs/dbraw/zinc/71/17/91/398711791.db2.gz NYLRDUOBJFWXPX-UHFFFAOYSA-N 1 2 314.311 2.543 20 30 DFEDLO CC(C)c1nc(N2CCN(c3ccccc3C#N)CC2)cc[nH+]1 ZINC000110464542 398721482 /nfs/dbraw/zinc/72/14/82/398721482.db2.gz LZROKQYJYLLRHD-UHFFFAOYSA-N 1 2 307.401 2.798 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026321 398724717 /nfs/dbraw/zinc/72/47/17/398724717.db2.gz JBGYFTBVOPKYRP-HNNXBMFYSA-N 1 2 315.373 3.000 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026321 398724720 /nfs/dbraw/zinc/72/47/20/398724720.db2.gz JBGYFTBVOPKYRP-HNNXBMFYSA-N 1 2 315.373 3.000 20 30 DFEDLO N#Cc1c(F)cccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942493 398724869 /nfs/dbraw/zinc/72/48/69/398724869.db2.gz ZNQRDYSJEHYJDM-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591145040 398731710 /nfs/dbraw/zinc/73/17/10/398731710.db2.gz ZNHBGVVGMOLANF-CQSZACIVSA-N 1 2 311.345 2.813 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)on1 ZINC000047273858 398742467 /nfs/dbraw/zinc/74/24/67/398742467.db2.gz MHRKWBIQBRLWLC-HNNXBMFYSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)on1 ZINC000047273858 398742472 /nfs/dbraw/zinc/74/24/72/398742472.db2.gz MHRKWBIQBRLWLC-HNNXBMFYSA-N 1 2 310.357 2.630 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000187087032 283094198 /nfs/dbraw/zinc/09/41/98/283094198.db2.gz VEQWAVUJNPKCNG-KRWDZBQOSA-N 1 2 319.836 2.508 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000187087032 283094202 /nfs/dbraw/zinc/09/42/02/283094202.db2.gz VEQWAVUJNPKCNG-KRWDZBQOSA-N 1 2 319.836 2.508 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C(=O)OC ZINC000591260448 398743265 /nfs/dbraw/zinc/74/32/65/398743265.db2.gz AQKJLVQBTJWRKP-CZUORRHYSA-N 1 2 323.820 2.531 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000598075106 398748618 /nfs/dbraw/zinc/74/86/18/398748618.db2.gz MWLUGZRZQCNMSD-DLBZAZTESA-N 1 2 308.385 2.744 20 30 DFEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000377360618 283170831 /nfs/dbraw/zinc/17/08/31/283170831.db2.gz SKNTURPMYUEVAO-UHFFFAOYSA-N 1 2 303.163 2.537 20 30 DFEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000081512289 192277034 /nfs/dbraw/zinc/27/70/34/192277034.db2.gz VVZHMLLOSFPYQX-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccs1 ZINC000081512289 192277036 /nfs/dbraw/zinc/27/70/36/192277036.db2.gz VVZHMLLOSFPYQX-UHFFFAOYSA-N 1 2 320.439 2.525 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000119112827 398773885 /nfs/dbraw/zinc/77/38/85/398773885.db2.gz GUDMSLPRGDBJEA-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000119112827 398773887 /nfs/dbraw/zinc/77/38/87/398773887.db2.gz GUDMSLPRGDBJEA-FZKQIMNGSA-N 1 2 317.408 2.627 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2ccc3cc(C#N)ccc3n2)C1 ZINC000591629494 398777842 /nfs/dbraw/zinc/77/78/42/398777842.db2.gz GCBPOJHYZGVGAV-ZBFHGGJFSA-N 1 2 319.368 2.796 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C2 ZINC000594294820 398780459 /nfs/dbraw/zinc/78/04/59/398780459.db2.gz ZVYXRWJPPDOMJK-CYBMUJFWSA-N 1 2 322.412 2.593 20 30 DFEDLO C=CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000120855768 398783811 /nfs/dbraw/zinc/78/38/11/398783811.db2.gz UJPYMGBBPPTFIY-OAHLLOKOSA-N 1 2 306.356 2.968 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccccc2)c1 ZINC000591777727 398787017 /nfs/dbraw/zinc/78/70/17/398787017.db2.gz MVAGXLGHOQKFGF-LJQANCHMSA-N 1 2 309.413 2.972 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccccc2)c1 ZINC000591777727 398787018 /nfs/dbraw/zinc/78/70/18/398787018.db2.gz MVAGXLGHOQKFGF-LJQANCHMSA-N 1 2 309.413 2.972 20 30 DFEDLO N#Cc1c2c(cnc1N1CC[C@H](CNc3cccc[nH+]3)C1)CCC2 ZINC000591818730 398791276 /nfs/dbraw/zinc/79/12/76/398791276.db2.gz ZRIPDPZEPVIGEJ-CQSZACIVSA-N 1 2 319.412 2.775 20 30 DFEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC2)cc1 ZINC000594405431 398793781 /nfs/dbraw/zinc/79/37/81/398793781.db2.gz KUMGPXUIJXGGOX-HNNXBMFYSA-N 1 2 320.396 2.513 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000075299566 398796543 /nfs/dbraw/zinc/79/65/43/398796543.db2.gz YDEWGUAZQHCRMJ-SJORKVTESA-N 1 2 308.385 2.572 20 30 DFEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1cccc(Cl)c1)C(C)C ZINC000050514068 398809590 /nfs/dbraw/zinc/80/95/90/398809590.db2.gz ZUYFVBPGEYEIGU-UHFFFAOYSA-N 1 2 311.813 2.622 20 30 DFEDLO CC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594507560 398811916 /nfs/dbraw/zinc/81/19/16/398811916.db2.gz HMIVRLZPLFLIMH-CABCVRRESA-N 1 2 311.389 2.769 20 30 DFEDLO CC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594507562 398812449 /nfs/dbraw/zinc/81/24/49/398812449.db2.gz HMIVRLZPLFLIMH-HUUCEWRRSA-N 1 2 311.389 2.769 20 30 DFEDLO CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594515408 398814150 /nfs/dbraw/zinc/81/41/50/398814150.db2.gz PVCNUYGEYNYCCG-UHFFFAOYSA-N 1 2 312.421 2.519 20 30 DFEDLO C#CCCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000179851595 199088222 /nfs/dbraw/zinc/08/82/22/199088222.db2.gz SIVMKCNAFWQZQE-UHFFFAOYSA-N 1 2 313.445 2.566 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598589604 398836873 /nfs/dbraw/zinc/83/68/73/398836873.db2.gz GZRUIVMKZXLBIN-STQMWFEESA-N 1 2 306.410 2.631 20 30 DFEDLO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598589604 398836877 /nfs/dbraw/zinc/83/68/77/398836877.db2.gz GZRUIVMKZXLBIN-STQMWFEESA-N 1 2 306.410 2.631 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594708689 398845864 /nfs/dbraw/zinc/84/58/64/398845864.db2.gz BQMPCKXLACHYLL-DGCLKSJQSA-N 1 2 303.328 2.910 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1CO ZINC000598645287 398846554 /nfs/dbraw/zinc/84/65/54/398846554.db2.gz CBBCBFOEIRNRET-BXUZGUMPSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1CO ZINC000598645287 398846558 /nfs/dbraw/zinc/84/65/58/398846558.db2.gz CBBCBFOEIRNRET-BXUZGUMPSA-N 1 2 323.234 2.771 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180283217 199141067 /nfs/dbraw/zinc/14/10/67/199141067.db2.gz MUVSPJDNLDEPHX-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180283217 199141069 /nfs/dbraw/zinc/14/10/69/199141069.db2.gz MUVSPJDNLDEPHX-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO C#CCCCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000180344362 199148196 /nfs/dbraw/zinc/14/81/96/199148196.db2.gz MGZFLNQVQLKGRL-UHFFFAOYSA-N 1 2 309.413 2.936 20 30 DFEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)n2c1CCCC2 ZINC000598675339 398853557 /nfs/dbraw/zinc/85/35/57/398853557.db2.gz XRAZNCNPXNTWGB-GOSISDBHSA-N 1 2 315.417 2.737 20 30 DFEDLO COC(=O)c1cc(C[N@H+]2CCC[C@](C)(C#N)C2)n2c1CCCC2 ZINC000598675339 398853561 /nfs/dbraw/zinc/85/35/61/398853561.db2.gz XRAZNCNPXNTWGB-GOSISDBHSA-N 1 2 315.417 2.737 20 30 DFEDLO C[C@@H](CC#N)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000594732892 398851456 /nfs/dbraw/zinc/85/14/56/398851456.db2.gz WLOUVFCQZYZYKI-ZDUSSCGKSA-N 1 2 312.373 2.586 20 30 DFEDLO CCn1cc([C@@H]2OCC[C@H]2CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000594734664 398852163 /nfs/dbraw/zinc/85/21/63/398852163.db2.gz CMLODYNZTRCBHZ-WMLDXEAASA-N 1 2 311.389 2.554 20 30 DFEDLO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(C#N)cc1 ZINC000076511567 398859606 /nfs/dbraw/zinc/85/96/06/398859606.db2.gz JPRHVMTWIJTACB-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(C#N)cc1 ZINC000076511567 398859608 /nfs/dbraw/zinc/85/96/08/398859608.db2.gz JPRHVMTWIJTACB-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO Cc1cccn2cc(CC(=O)Nc3ccc(F)c(C#N)c3)[nH+]c12 ZINC000076824145 398871497 /nfs/dbraw/zinc/87/14/97/398871497.db2.gz RNNHZGIYGZWBRO-UHFFFAOYSA-N 1 2 308.316 2.835 20 30 DFEDLO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000594991047 398887926 /nfs/dbraw/zinc/88/79/26/398887926.db2.gz YJUPGJCHWPAQNF-JKSUJKDBSA-N 1 2 301.415 2.863 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945960 398895632 /nfs/dbraw/zinc/89/56/32/398895632.db2.gz MJSKKLBOEYTMOR-WDEREUQCSA-N 1 2 306.207 2.894 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945960 398895637 /nfs/dbraw/zinc/89/56/37/398895637.db2.gz MJSKKLBOEYTMOR-WDEREUQCSA-N 1 2 306.207 2.894 20 30 DFEDLO C=CCCSCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000595057724 398898979 /nfs/dbraw/zinc/89/89/79/398898979.db2.gz DBTRAUIOFUDKKW-OAHLLOKOSA-N 1 2 306.410 2.932 20 30 DFEDLO C=CCCSCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000595057724 398898981 /nfs/dbraw/zinc/89/89/81/398898981.db2.gz DBTRAUIOFUDKKW-OAHLLOKOSA-N 1 2 306.410 2.932 20 30 DFEDLO C=CCCSCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000595057724 398898983 /nfs/dbraw/zinc/89/89/83/398898983.db2.gz DBTRAUIOFUDKKW-OAHLLOKOSA-N 1 2 306.410 2.932 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000187382848 200104730 /nfs/dbraw/zinc/10/47/30/200104730.db2.gz XHGNHYPEESAKDI-UHFFFAOYSA-N 1 2 313.779 2.984 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000187382848 200104731 /nfs/dbraw/zinc/10/47/31/200104731.db2.gz XHGNHYPEESAKDI-UHFFFAOYSA-N 1 2 313.779 2.984 20 30 DFEDLO CC1=C(Br)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000281073382 216061514 /nfs/dbraw/zinc/06/15/14/216061514.db2.gz KVIOTJVOBZHJTA-OAHLLOKOSA-N 1 2 321.218 2.966 20 30 DFEDLO CC1=C(Br)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000281073382 216061516 /nfs/dbraw/zinc/06/15/16/216061516.db2.gz KVIOTJVOBZHJTA-OAHLLOKOSA-N 1 2 321.218 2.966 20 30 DFEDLO COc1ncc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000595428899 398936859 /nfs/dbraw/zinc/93/68/59/398936859.db2.gz PIEUCUOKIFFLIT-UHFFFAOYSA-N 1 2 324.222 2.978 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)CCO2)n1 ZINC000599290536 398947846 /nfs/dbraw/zinc/94/78/46/398947846.db2.gz VWTIGCRSHCGVBB-LJQANCHMSA-N 1 2 324.428 2.581 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)CCO2)n1 ZINC000599290536 398947848 /nfs/dbraw/zinc/94/78/48/398947848.db2.gz VWTIGCRSHCGVBB-LJQANCHMSA-N 1 2 324.428 2.581 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595499274 398950362 /nfs/dbraw/zinc/95/03/62/398950362.db2.gz WDXSNRUZXQJLJM-IRXDYDNUSA-N 1 2 322.412 2.866 20 30 DFEDLO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511782 398954202 /nfs/dbraw/zinc/95/42/02/398954202.db2.gz QOTJGHXHOPMJRD-ZWJWXYIHSA-N 1 2 323.440 2.673 20 30 DFEDLO N#C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccccc1 ZINC000595511782 398954204 /nfs/dbraw/zinc/95/42/04/398954204.db2.gz QOTJGHXHOPMJRD-ZWJWXYIHSA-N 1 2 323.440 2.673 20 30 DFEDLO Cc1cccn2cc(CC(=O)N(C)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000604564762 398958583 /nfs/dbraw/zinc/95/85/83/398958583.db2.gz XNXCEERJTXNTFY-UHFFFAOYSA-N 1 2 318.380 2.716 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Nc3cccc(C#N)c3)[nH+]c2c1 ZINC000056358554 398965314 /nfs/dbraw/zinc/96/53/14/398965314.db2.gz PLYYGSDLANTHSC-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO CC(C)CCOCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056492873 398973524 /nfs/dbraw/zinc/97/35/24/398973524.db2.gz ZWOIURPBKFULOU-UHFFFAOYSA-N 1 2 315.461 2.739 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000599414641 398975596 /nfs/dbraw/zinc/97/55/96/398975596.db2.gz FOCBYRRWKDBBJU-ZLKJLUDKSA-N 1 2 321.783 2.866 20 30 DFEDLO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000613420762 398977756 /nfs/dbraw/zinc/97/77/56/398977756.db2.gz QOLQFYNQHXQZJU-KBPBESRZSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611962 398999657 /nfs/dbraw/zinc/99/96/57/398999657.db2.gz QMMGAILKLXTBPN-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611962 398999664 /nfs/dbraw/zinc/99/96/64/398999664.db2.gz QMMGAILKLXTBPN-NWDGAFQWSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614415 399001705 /nfs/dbraw/zinc/00/17/05/399001705.db2.gz HRMMCHKCJOOJJQ-SUMWQHHRSA-N 1 2 315.392 2.771 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614415 399001708 /nfs/dbraw/zinc/00/17/08/399001708.db2.gz HRMMCHKCJOOJJQ-SUMWQHHRSA-N 1 2 315.392 2.771 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615200 399003224 /nfs/dbraw/zinc/00/32/24/399003224.db2.gz KTQSGGKSIFRJSS-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615200 399003227 /nfs/dbraw/zinc/00/32/27/399003227.db2.gz KTQSGGKSIFRJSS-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623513 399007419 /nfs/dbraw/zinc/00/74/19/399007419.db2.gz RZSHJORMSJWKIK-UONOGXRCSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623513 399007423 /nfs/dbraw/zinc/00/74/23/399007423.db2.gz RZSHJORMSJWKIK-UONOGXRCSA-N 1 2 306.431 2.777 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000595631372 399010643 /nfs/dbraw/zinc/01/06/43/399010643.db2.gz ROVQRGDNPWLNBA-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO N#Cc1sccc1N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000595631372 399010645 /nfs/dbraw/zinc/01/06/45/399010645.db2.gz ROVQRGDNPWLNBA-UHFFFAOYSA-N 1 2 323.425 2.590 20 30 DFEDLO C=CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)COC ZINC000595638961 399013183 /nfs/dbraw/zinc/01/31/83/399013183.db2.gz PRMAUTYHMKYDTA-SNVBAGLBSA-N 1 2 300.305 2.896 20 30 DFEDLO C=CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)COC ZINC000595638961 399013186 /nfs/dbraw/zinc/01/31/86/399013186.db2.gz PRMAUTYHMKYDTA-SNVBAGLBSA-N 1 2 300.305 2.896 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cscn2)c(C#N)c1C ZINC000595668348 399026460 /nfs/dbraw/zinc/02/64/60/399026460.db2.gz MFWZULRFGWMSIT-VHSXEESVSA-N 1 2 318.402 2.902 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599596150 399026143 /nfs/dbraw/zinc/02/61/43/399026143.db2.gz NVKQREHKIITJRN-ILXRZTDVSA-N 1 2 305.422 2.730 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599596150 399026145 /nfs/dbraw/zinc/02/61/45/399026145.db2.gz NVKQREHKIITJRN-ILXRZTDVSA-N 1 2 305.422 2.730 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000599614068 399029298 /nfs/dbraw/zinc/02/92/98/399029298.db2.gz QTQNPJZZSKOYTF-BBRMVZONSA-N 1 2 308.385 2.503 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624662 399031841 /nfs/dbraw/zinc/03/18/41/399031841.db2.gz VWOQXXNJIMYUNH-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595690199 399036856 /nfs/dbraw/zinc/03/68/56/399036856.db2.gz AFTGSONMQLLEKP-AAEUAGOBSA-N 1 2 321.808 2.959 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(CCC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000621713752 399040178 /nfs/dbraw/zinc/04/01/78/399040178.db2.gz VMZIHNRMHZKCJM-ZDUSSCGKSA-N 1 2 313.488 2.876 20 30 DFEDLO C=CC[N@H+](Cc1ccc(CCC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000621713752 399040182 /nfs/dbraw/zinc/04/01/82/399040182.db2.gz VMZIHNRMHZKCJM-ZDUSSCGKSA-N 1 2 313.488 2.876 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)sc1C ZINC000595704052 399046256 /nfs/dbraw/zinc/04/62/56/399046256.db2.gz PUZLAHIDVYHUDD-CYZMBNFOSA-N 1 2 306.435 2.759 20 30 DFEDLO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000595698898 399043032 /nfs/dbraw/zinc/04/30/32/399043032.db2.gz LAVOSQRWWLFKFI-CZUORRHYSA-N 1 2 301.390 2.696 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)c(C#N)c1C ZINC000595704203 399046272 /nfs/dbraw/zinc/04/62/72/399046272.db2.gz QWHIXADWOSNEPJ-LNSITVRQSA-N 1 2 314.389 2.767 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000595702409 399044383 /nfs/dbraw/zinc/04/43/83/399044383.db2.gz KAYCKDHWEQWVAP-IAOVAPTHSA-N 1 2 315.392 2.817 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000595704044 399045796 /nfs/dbraw/zinc/04/57/96/399045796.db2.gz PUNJNZAMCFLTKT-BQFCYCMXSA-N 1 2 324.428 2.994 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702740 399045839 /nfs/dbraw/zinc/04/58/39/399045839.db2.gz JNIGBAJOLFRVBF-IUODEOHRSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702740 399045841 /nfs/dbraw/zinc/04/58/41/399045841.db2.gz JNIGBAJOLFRVBF-IUODEOHRSA-N 1 2 301.365 2.523 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000595696972 399041463 /nfs/dbraw/zinc/04/14/63/399041463.db2.gz CKNLRTSKXRAYCJ-SMDDNHRTSA-N 1 2 323.343 2.898 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)c(C#N)c1C ZINC000595705946 399047212 /nfs/dbraw/zinc/04/72/12/399047212.db2.gz YQZJWFADVKOOEJ-TZMCWYRMSA-N 1 2 316.430 2.847 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000599667417 399053818 /nfs/dbraw/zinc/05/38/18/399053818.db2.gz QHNJPKNEUDWDGR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000599667417 399053820 /nfs/dbraw/zinc/05/38/20/399053820.db2.gz QHNJPKNEUDWDGR-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000599670367 399055050 /nfs/dbraw/zinc/05/50/50/399055050.db2.gz JHQFJTMOZNISGX-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000599670367 399055052 /nfs/dbraw/zinc/05/50/52/399055052.db2.gz JHQFJTMOZNISGX-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO N#Cc1ccsc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058035074 399074379 /nfs/dbraw/zinc/07/43/79/399074379.db2.gz MWFJIBUUZPFUTN-ZDUSSCGKSA-N 1 2 312.398 2.870 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1CC(F)(F)F ZINC000092103344 193159391 /nfs/dbraw/zinc/15/93/91/193159391.db2.gz REOJFQFHVJHAJU-JTQLQIEISA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1CC(F)(F)F ZINC000092103344 193159392 /nfs/dbraw/zinc/15/93/92/193159392.db2.gz REOJFQFHVJHAJU-JTQLQIEISA-N 1 2 303.353 2.688 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000595787008 399085348 /nfs/dbraw/zinc/08/53/48/399085348.db2.gz RZEBJPCLLSPOAT-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000595787008 399085355 /nfs/dbraw/zinc/08/53/55/399085355.db2.gz RZEBJPCLLSPOAT-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C=CCn1nnnc1SCc1ccc(-n2cc[nH+]c2)cc1C ZINC000191559660 335002178 /nfs/dbraw/zinc/00/21/78/335002178.db2.gz QNITUMMLQRPJFX-UHFFFAOYSA-N 1 2 312.402 2.646 20 30 DFEDLO CN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000595832302 399104495 /nfs/dbraw/zinc/10/44/95/399104495.db2.gz AERPWZXMTJKQAD-MJGOQNOKSA-N 1 2 311.429 2.758 20 30 DFEDLO CN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000595832302 399104498 /nfs/dbraw/zinc/10/44/98/399104498.db2.gz AERPWZXMTJKQAD-MJGOQNOKSA-N 1 2 311.429 2.758 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595839627 399107655 /nfs/dbraw/zinc/10/76/55/399107655.db2.gz KMXKXILKPJQSKK-FUHWJXTLSA-N 1 2 315.392 2.865 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595839627 399107661 /nfs/dbraw/zinc/10/76/61/399107661.db2.gz KMXKXILKPJQSKK-FUHWJXTLSA-N 1 2 315.392 2.865 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838657 399107690 /nfs/dbraw/zinc/10/76/90/399107690.db2.gz XOFBDBKNJRSBTG-SJKOYZFVSA-N 1 2 321.371 2.720 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838657 399107697 /nfs/dbraw/zinc/10/76/97/399107697.db2.gz XOFBDBKNJRSBTG-SJKOYZFVSA-N 1 2 321.371 2.720 20 30 DFEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104756 193204335 /nfs/dbraw/zinc/20/43/35/193204335.db2.gz SWGCOVYXKMCAKD-INIZCTEOSA-N 1 2 311.410 2.857 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104756 193204336 /nfs/dbraw/zinc/20/43/36/193204336.db2.gz SWGCOVYXKMCAKD-INIZCTEOSA-N 1 2 311.410 2.857 20 30 DFEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccco1 ZINC000059337940 399109868 /nfs/dbraw/zinc/10/98/68/399109868.db2.gz FHSCJNLYLSOLGI-UHFFFAOYSA-N 1 2 301.375 2.750 20 30 DFEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc([S@](C)=O)cc1 ZINC000093713140 193297435 /nfs/dbraw/zinc/29/74/35/193297435.db2.gz RZGGICUUULSYSJ-HXUWFJFHSA-N 1 2 304.440 2.989 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc([S@](C)=O)cc1 ZINC000093713140 193297437 /nfs/dbraw/zinc/29/74/37/193297437.db2.gz RZGGICUUULSYSJ-HXUWFJFHSA-N 1 2 304.440 2.989 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595913486 399132873 /nfs/dbraw/zinc/13/28/73/399132873.db2.gz DWEFRLUDPGJEBZ-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595913486 399132876 /nfs/dbraw/zinc/13/28/76/399132876.db2.gz DWEFRLUDPGJEBZ-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600106540 399137801 /nfs/dbraw/zinc/13/78/01/399137801.db2.gz LHJWIKBBAHRVJW-SFHVURJKSA-N 1 2 322.412 2.934 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000600120101 399141823 /nfs/dbraw/zinc/14/18/23/399141823.db2.gz GZVJGCCHQKIQDT-NSHDSACASA-N 1 2 303.406 2.932 20 30 DFEDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000600120101 399141830 /nfs/dbraw/zinc/14/18/30/399141830.db2.gz GZVJGCCHQKIQDT-NSHDSACASA-N 1 2 303.406 2.932 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2nc3ncccc3cc2C#N)CC1(C)C ZINC000596003687 399146761 /nfs/dbraw/zinc/14/67/61/399146761.db2.gz SXYJEVNZJINSPA-AWEZNQCLSA-N 1 2 318.384 2.822 20 30 DFEDLO Cc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)cc1C#N ZINC000600793980 399149094 /nfs/dbraw/zinc/14/90/94/399149094.db2.gz QMLNVXWVSZCQIW-MRXNPFEDSA-N 1 2 320.396 2.630 20 30 DFEDLO Cc1[nH+]c2ccccc2n1Cc1cn([C@H]2CC[C@H](C#N)C2)nn1 ZINC000600813434 399153405 /nfs/dbraw/zinc/15/34/05/399153405.db2.gz QGHWNSPZTYLHAQ-ZFWWWQNUSA-N 1 2 306.373 2.849 20 30 DFEDLO COc1ccccc1-c1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000596068282 399162281 /nfs/dbraw/zinc/16/22/81/399162281.db2.gz XCJYHUVEFXJTTN-ZDUSSCGKSA-N 1 2 310.357 2.883 20 30 DFEDLO CCc1nc(C#N)cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000596118387 399179771 /nfs/dbraw/zinc/17/97/71/399179771.db2.gz XXMSIDIQVUKHHH-UHFFFAOYSA-N 1 2 311.389 2.568 20 30 DFEDLO C=CCSCCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000194565805 399180262 /nfs/dbraw/zinc/18/02/62/399180262.db2.gz CSGBRHUOZAADBA-UHFFFAOYSA-N 1 2 322.478 2.646 20 30 DFEDLO N#Cc1cnc2ccc(Cl)cc2c1NCC[NH+]1CCOCC1 ZINC000266059432 205064218 /nfs/dbraw/zinc/06/42/18/205064218.db2.gz FSDPMTJSPZLGNB-UHFFFAOYSA-N 1 2 316.792 2.504 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285462856 335026318 /nfs/dbraw/zinc/02/63/18/335026318.db2.gz ZKUODWFPXJOGGG-KRWDZBQOSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285462856 335026319 /nfs/dbraw/zinc/02/63/19/335026319.db2.gz ZKUODWFPXJOGGG-KRWDZBQOSA-N 1 2 305.805 2.573 20 30 DFEDLO Cc1cc(C#N)cc(N[C@H](c2[nH+]ccn2C)C2CCOCC2)n1 ZINC000601163204 399244495 /nfs/dbraw/zinc/24/44/95/399244495.db2.gz DTVDCIASDYTNKW-INIZCTEOSA-N 1 2 311.389 2.575 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000285550277 335027015 /nfs/dbraw/zinc/02/70/15/335027015.db2.gz GLOIZJWZVQYHIR-UHFFFAOYSA-N 1 2 321.380 2.842 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000285550277 335027013 /nfs/dbraw/zinc/02/70/13/335027013.db2.gz GLOIZJWZVQYHIR-UHFFFAOYSA-N 1 2 321.380 2.842 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000286044360 335032006 /nfs/dbraw/zinc/03/20/06/335032006.db2.gz INOPEGFTSCDHEB-UHFFFAOYSA-N 1 2 303.387 2.685 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000286044360 335032008 /nfs/dbraw/zinc/03/20/08/335032008.db2.gz INOPEGFTSCDHEB-UHFFFAOYSA-N 1 2 303.387 2.685 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000267891958 206322560 /nfs/dbraw/zinc/32/25/60/206322560.db2.gz SFWYORIDMIRUDF-ZDUSSCGKSA-N 1 2 304.390 2.705 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000601315294 399275854 /nfs/dbraw/zinc/27/58/54/399275854.db2.gz XIAJUPXQRHFISR-PBHICJAKSA-N 1 2 308.385 2.672 20 30 DFEDLO COC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000601315987 399275879 /nfs/dbraw/zinc/27/58/79/399275879.db2.gz FDSLKKXSASIQNB-INIZCTEOSA-N 1 2 307.825 2.559 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2Nc1ccc2c(c1)CCCO2 ZINC000608779444 399294792 /nfs/dbraw/zinc/29/47/92/399294792.db2.gz RNJCUFSGUACURF-UHFFFAOYSA-N 1 2 320.356 2.809 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCNc1ccccc1 ZINC000609039208 399302872 /nfs/dbraw/zinc/30/28/72/399302872.db2.gz WXKMDHQIWQJUOH-UHFFFAOYSA-N 1 2 321.388 2.654 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCc2ccc(F)cc21 ZINC000609288476 399312162 /nfs/dbraw/zinc/31/21/62/399312162.db2.gz ZFBPVZVONCULLX-HNNXBMFYSA-N 1 2 322.347 2.978 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000615227691 399314631 /nfs/dbraw/zinc/31/46/31/399314631.db2.gz GFFUCJYQQAJTNG-HZPDHXFCSA-N 1 2 306.793 2.591 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000615227691 399314634 /nfs/dbraw/zinc/31/46/34/399314634.db2.gz GFFUCJYQQAJTNG-HZPDHXFCSA-N 1 2 306.793 2.591 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000615227130 399314652 /nfs/dbraw/zinc/31/46/52/399314652.db2.gz XXMAWEKKTWOYOT-QGZVFWFLSA-N 1 2 316.836 2.877 20 30 DFEDLO CO[C@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@@H]1C ZINC000615234651 399315361 /nfs/dbraw/zinc/31/53/61/399315361.db2.gz KKUMPVNLMWFRPL-LIRRHRJNSA-N 1 2 324.428 2.909 20 30 DFEDLO CO[C@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@@H]1C ZINC000615234651 399315363 /nfs/dbraw/zinc/31/53/63/399315363.db2.gz KKUMPVNLMWFRPL-LIRRHRJNSA-N 1 2 324.428 2.909 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609486752 399320292 /nfs/dbraw/zinc/32/02/92/399320292.db2.gz QESJCDZCHUQBOE-PBHICJAKSA-N 1 2 316.405 2.822 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000609538354 399322240 /nfs/dbraw/zinc/32/22/40/399322240.db2.gz KIACIASTCJIQLI-INIZCTEOSA-N 1 2 321.852 2.885 20 30 DFEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000619272459 399324366 /nfs/dbraw/zinc/32/43/66/399324366.db2.gz MJIIMXRUCBKRRV-IBGZPJMESA-N 1 2 312.413 2.605 20 30 DFEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000619272459 399324369 /nfs/dbraw/zinc/32/43/69/399324369.db2.gz MJIIMXRUCBKRRV-IBGZPJMESA-N 1 2 312.413 2.605 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000601716055 399327848 /nfs/dbraw/zinc/32/78/48/399327848.db2.gz UFCAXOWFFJHVMB-KRWDZBQOSA-N 1 2 324.359 2.695 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000601716055 399327851 /nfs/dbraw/zinc/32/78/51/399327851.db2.gz UFCAXOWFFJHVMB-KRWDZBQOSA-N 1 2 324.359 2.695 20 30 DFEDLO N#Cc1ncccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000274012262 211271857 /nfs/dbraw/zinc/27/18/57/211271857.db2.gz KZOGEMZKLZNCLF-HNNXBMFYSA-N 1 2 314.414 2.500 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNC(=O)c1sccc1C#N ZINC000610065751 399341010 /nfs/dbraw/zinc/34/10/10/399341010.db2.gz JZAYILUDZQDZIY-UHFFFAOYSA-N 1 2 324.409 2.962 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610130908 399343550 /nfs/dbraw/zinc/34/35/50/399343550.db2.gz JPEDWBOOZFWPCG-ZDUSSCGKSA-N 1 2 304.357 2.539 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610130907 399343827 /nfs/dbraw/zinc/34/38/27/399343827.db2.gz JPEDWBOOZFWPCG-CYBMUJFWSA-N 1 2 304.357 2.539 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C1(C#N)CCC1 ZINC000619430855 399344584 /nfs/dbraw/zinc/34/45/84/399344584.db2.gz SYCJRSWQXJGLGC-UHFFFAOYSA-N 1 2 318.327 2.528 20 30 DFEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000610195099 399346207 /nfs/dbraw/zinc/34/62/07/399346207.db2.gz RFOLGIHKRBOZBG-OAHLLOKOSA-N 1 2 323.396 2.599 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc[nH+]c1N(C)C ZINC000610211257 399347039 /nfs/dbraw/zinc/34/70/39/399347039.db2.gz HULZNUPHNWPHQD-UHFFFAOYSA-N 1 2 317.396 2.910 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623254605 399347647 /nfs/dbraw/zinc/34/76/47/399347647.db2.gz LYMKDHSDHKBOLR-CYBMUJFWSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623254605 399347649 /nfs/dbraw/zinc/34/76/49/399347649.db2.gz LYMKDHSDHKBOLR-CYBMUJFWSA-N 1 2 314.198 2.883 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000284657397 218118274 /nfs/dbraw/zinc/11/82/74/218118274.db2.gz DAMXPZGBLXFQBV-CGTJXYLNSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000284657397 218118277 /nfs/dbraw/zinc/11/82/77/218118277.db2.gz DAMXPZGBLXFQBV-CGTJXYLNSA-N 1 2 318.392 2.713 20 30 DFEDLO CCn1cc[nH+]c1[C@H](Nc1cccc(C#N)n1)C1CCOCC1 ZINC000284696961 218138767 /nfs/dbraw/zinc/13/87/67/218138767.db2.gz ZLTFKMMFBHKKPL-MRXNPFEDSA-N 1 2 311.389 2.749 20 30 DFEDLO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610360343 399360976 /nfs/dbraw/zinc/36/09/76/399360976.db2.gz XVHQHIBYIAHPNM-ZDUSSCGKSA-N 1 2 304.353 2.626 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)C2 ZINC000610406808 399364465 /nfs/dbraw/zinc/36/44/65/399364465.db2.gz AGXCWQPDBRKJFR-CYBMUJFWSA-N 1 2 323.400 2.658 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601967440 399371360 /nfs/dbraw/zinc/37/13/60/399371360.db2.gz ITXMLVYPRQYYTA-XHDPSFHLSA-N 1 2 309.772 2.936 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610505056 399374781 /nfs/dbraw/zinc/37/47/81/399374781.db2.gz XGYYKOAJVLAJND-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610505056 399374785 /nfs/dbraw/zinc/37/47/85/399374785.db2.gz XGYYKOAJVLAJND-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615735887 399378702 /nfs/dbraw/zinc/37/87/02/399378702.db2.gz YYDAXBDFEKYBNQ-QGZVFWFLSA-N 1 2 322.412 2.754 20 30 DFEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000619718269 399382468 /nfs/dbraw/zinc/38/24/68/399382468.db2.gz DVXRQYWCSZYCEH-CJNGLKHVSA-N 1 2 322.836 2.746 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc(C#N)c1 ZINC000610586489 399383540 /nfs/dbraw/zinc/38/35/40/399383540.db2.gz QVENHKLFTSPBPR-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(C#N)c1 ZINC000610586489 399383543 /nfs/dbraw/zinc/38/35/43/399383543.db2.gz QVENHKLFTSPBPR-CYBMUJFWSA-N 1 2 323.400 2.932 20 30 DFEDLO C=C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)OC ZINC000619734421 399384957 /nfs/dbraw/zinc/38/49/57/399384957.db2.gz ICPQUBUIRWUKDW-OAHLLOKOSA-N 1 2 309.369 2.741 20 30 DFEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602058081 399390305 /nfs/dbraw/zinc/39/03/05/399390305.db2.gz OIHKOMZTLQYMQL-HZPDHXFCSA-N 1 2 314.364 2.990 20 30 DFEDLO CCc1c[nH]c(CC(=O)Nc2cccc(OCCCC#N)c2)[nH+]1 ZINC000602078071 399392054 /nfs/dbraw/zinc/39/20/54/399392054.db2.gz YRLZCRRTDPVNJQ-UHFFFAOYSA-N 1 2 312.373 2.836 20 30 DFEDLO CC(C)c1nc(NC2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000110512420 194335956 /nfs/dbraw/zinc/33/59/56/194335956.db2.gz PRQSPYKVQZKVEG-UHFFFAOYSA-N 1 2 322.416 2.948 20 30 DFEDLO C=C[C@H](NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1)C(=O)OC ZINC000619856128 399395745 /nfs/dbraw/zinc/39/57/45/399395745.db2.gz SWKWZWGYFBODMW-AWEZNQCLSA-N 1 2 313.401 2.751 20 30 DFEDLO CCc1nnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000610715384 399396587 /nfs/dbraw/zinc/39/65/87/399396587.db2.gz GNINZRXPOIMOAW-ZDUSSCGKSA-N 1 2 310.405 2.511 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000492151530 299524444 /nfs/dbraw/zinc/52/44/44/299524444.db2.gz AQRSGEPZRQWDHF-WAYWQWQTSA-N 1 2 302.337 2.536 20 30 DFEDLO N#CC[C@@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602178228 399405731 /nfs/dbraw/zinc/40/57/31/399405731.db2.gz MCWHJVJDFRFJHS-NWDGAFQWSA-N 1 2 314.311 2.529 20 30 DFEDLO C=CCCSCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177137 399405782 /nfs/dbraw/zinc/40/57/82/399405782.db2.gz BQZPVYVBONCESC-NSHDSACASA-N 1 2 321.368 2.802 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2csc(C(F)(F)F)c2)nn1 ZINC000623554198 399415150 /nfs/dbraw/zinc/41/51/50/399415150.db2.gz VGIMAQPNALHRLD-UHFFFAOYSA-N 1 2 302.325 2.834 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000616135062 399424987 /nfs/dbraw/zinc/42/49/87/399424987.db2.gz IBILDNIVFKXARC-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000616135062 399424990 /nfs/dbraw/zinc/42/49/90/399424990.db2.gz IBILDNIVFKXARC-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C#N)c1ccncc1 ZINC000616139343 399425077 /nfs/dbraw/zinc/42/50/77/399425077.db2.gz ZRYWHRPOFMDADB-GOSISDBHSA-N 1 2 309.369 2.521 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1F ZINC000602335952 399426540 /nfs/dbraw/zinc/42/65/40/399426540.db2.gz VWCUEWQFIYHMBJ-CYBMUJFWSA-N 1 2 318.179 2.706 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000058860173 184130162 /nfs/dbraw/zinc/13/01/62/184130162.db2.gz VFEDWHJLLILOTC-UHFFFAOYSA-N 1 2 303.753 2.620 20 30 DFEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)n2)c1C ZINC000602434758 399443551 /nfs/dbraw/zinc/44/35/51/399443551.db2.gz PPVVJUOUELPUGG-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)n2)c1C ZINC000602434758 399443554 /nfs/dbraw/zinc/44/35/54/399443554.db2.gz PPVVJUOUELPUGG-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000429125857 269711337 /nfs/dbraw/zinc/71/13/37/269711337.db2.gz DKGOPQVDRRLJII-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000429125857 269711338 /nfs/dbraw/zinc/71/13/38/269711338.db2.gz DKGOPQVDRRLJII-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO Cc1ccsc1CCNc1[nH+]cnc2c1cnn2CCC#N ZINC000611338200 399463720 /nfs/dbraw/zinc/46/37/20/399463720.db2.gz IAERLBJUIGQWHY-UHFFFAOYSA-N 1 2 312.402 2.765 20 30 DFEDLO N#Cc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000269146342 207275918 /nfs/dbraw/zinc/27/59/18/207275918.db2.gz NZEAZACZKIWQJM-UHFFFAOYSA-N 1 2 322.412 2.774 20 30 DFEDLO C=CCCCCCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000287602738 335045455 /nfs/dbraw/zinc/04/54/55/335045455.db2.gz GWQSYIWPUIZGTE-HNNXBMFYSA-N 1 2 318.421 2.789 20 30 DFEDLO C=CCCCCCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000287602738 335045456 /nfs/dbraw/zinc/04/54/56/335045456.db2.gz GWQSYIWPUIZGTE-HNNXBMFYSA-N 1 2 318.421 2.789 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000065427049 184342805 /nfs/dbraw/zinc/34/28/05/184342805.db2.gz LKADAQKOXOAUSA-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC000065427049 184342806 /nfs/dbraw/zinc/34/28/06/184342806.db2.gz LKADAQKOXOAUSA-LLVKDONJSA-N 1 2 321.808 2.649 20 30 DFEDLO CCOC(=O)c1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)on1 ZINC000602583167 399483169 /nfs/dbraw/zinc/48/31/69/399483169.db2.gz RBMNYPITJMGMTK-HNNXBMFYSA-N 1 2 313.357 2.986 20 30 DFEDLO CC(C)CN(CC(C)C)c1[nH+]cnc2c1cnn2CCC#N ZINC000611509768 399485291 /nfs/dbraw/zinc/48/52/91/399485291.db2.gz MESVKZLKTSILJO-UHFFFAOYSA-N 1 2 300.410 2.858 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602607933 399489425 /nfs/dbraw/zinc/48/94/25/399489425.db2.gz NKURILZEZUHGAL-GDBMZVCRSA-N 1 2 307.401 2.927 20 30 DFEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)c(F)cc1Br ZINC000602608057 399489708 /nfs/dbraw/zinc/48/97/08/399489708.db2.gz OLCGNRJQDROARE-QMMMGPOBSA-N 1 2 301.159 2.846 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)n1 ZINC000602615222 399490950 /nfs/dbraw/zinc/49/09/50/399490950.db2.gz WRRLHSIDYURADT-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)n1 ZINC000602615222 399490952 /nfs/dbraw/zinc/49/09/52/399490952.db2.gz WRRLHSIDYURADT-IBGZPJMESA-N 1 2 307.397 2.787 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1C#N ZINC000611579101 399496543 /nfs/dbraw/zinc/49/65/43/399496543.db2.gz IMOQZMIDBWFPLH-GFCCVEGCSA-N 1 2 324.327 2.548 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1C#N ZINC000611579101 399496544 /nfs/dbraw/zinc/49/65/44/399496544.db2.gz IMOQZMIDBWFPLH-GFCCVEGCSA-N 1 2 324.327 2.548 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)OCC ZINC000270079645 208136548 /nfs/dbraw/zinc/13/65/48/208136548.db2.gz UVVKIHCWUPXADE-OAHLLOKOSA-N 1 2 305.422 2.761 20 30 DFEDLO COC(=O)[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OC)c1 ZINC000602707624 399531725 /nfs/dbraw/zinc/53/17/25/399531725.db2.gz LJUOCLOQMOMUBL-LDZOIKDWSA-N 1 2 302.374 2.581 20 30 DFEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000625402542 399546492 /nfs/dbraw/zinc/54/64/92/399546492.db2.gz MQEQVWIOPYRSSG-INIZCTEOSA-N 1 2 307.821 2.817 20 30 DFEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000625402542 399546495 /nfs/dbraw/zinc/54/64/95/399546495.db2.gz MQEQVWIOPYRSSG-INIZCTEOSA-N 1 2 307.821 2.817 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCc2ccc(OC)cc2C1)C(=O)OC ZINC000602735441 399547841 /nfs/dbraw/zinc/54/78/41/399547841.db2.gz XFUCIEVTYTUOLD-NVXWUHKLSA-N 1 2 303.402 2.650 20 30 DFEDLO CCOC(=O)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000602757842 399558317 /nfs/dbraw/zinc/55/83/17/399558317.db2.gz AQHRWJVSLNDNEV-UHFFFAOYSA-N 1 2 315.398 2.823 20 30 DFEDLO CCOC(=O)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000602757842 399558320 /nfs/dbraw/zinc/55/83/20/399558320.db2.gz AQHRWJVSLNDNEV-UHFFFAOYSA-N 1 2 315.398 2.823 20 30 DFEDLO N#CCC1(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1 ZINC000602778710 399568063 /nfs/dbraw/zinc/56/80/63/399568063.db2.gz KJOGSUPBXCPAJT-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO N#CCC1(C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1 ZINC000602778710 399568067 /nfs/dbraw/zinc/56/80/67/399568067.db2.gz KJOGSUPBXCPAJT-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157823 399594561 /nfs/dbraw/zinc/59/45/61/399594561.db2.gz DSMICLGMPCYQSN-MDZRGWNJSA-N 1 2 313.445 2.920 20 30 DFEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157823 399594567 /nfs/dbraw/zinc/59/45/67/399594567.db2.gz DSMICLGMPCYQSN-MDZRGWNJSA-N 1 2 313.445 2.920 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160633 399594731 /nfs/dbraw/zinc/59/47/31/399594731.db2.gz KGAQQJBHRVYTCN-GUYCJALGSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160633 399594736 /nfs/dbraw/zinc/59/47/36/399594736.db2.gz KGAQQJBHRVYTCN-GUYCJALGSA-N 1 2 319.836 2.970 20 30 DFEDLO C=C(C)CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156453900 197114446 /nfs/dbraw/zinc/11/44/46/197114446.db2.gz OGGYTZLMLGQAMF-UHFFFAOYSA-N 1 2 316.449 2.906 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167216 399598112 /nfs/dbraw/zinc/59/81/12/399598112.db2.gz WPPAZACKIUAEHJ-SUMWQHHRSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167216 399598115 /nfs/dbraw/zinc/59/81/15/399598115.db2.gz WPPAZACKIUAEHJ-SUMWQHHRSA-N 1 2 319.836 2.970 20 30 DFEDLO CCCCc1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602858203 399605257 /nfs/dbraw/zinc/60/52/57/399605257.db2.gz PZOFJFFKRHWSBS-OKILXGFUSA-N 1 2 306.479 2.904 20 30 DFEDLO CCCCc1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602858203 399605259 /nfs/dbraw/zinc/60/52/59/399605259.db2.gz PZOFJFFKRHWSBS-OKILXGFUSA-N 1 2 306.479 2.904 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000602861351 399606352 /nfs/dbraw/zinc/60/63/52/399606352.db2.gz HFPCEEGFWACEBZ-UWVGGRQHSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000602862969 399607845 /nfs/dbraw/zinc/60/78/45/399607845.db2.gz LLONTTPIEQRXKH-OAHLLOKOSA-N 1 2 311.385 2.700 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000602868004 399608834 /nfs/dbraw/zinc/60/88/34/399608834.db2.gz GWBAZQKUCNIVEV-NEPJUHHUSA-N 1 2 316.430 2.535 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000602868005 399608890 /nfs/dbraw/zinc/60/88/90/399608890.db2.gz GWBAZQKUCNIVEV-NWDGAFQWSA-N 1 2 316.430 2.535 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602867535 399608956 /nfs/dbraw/zinc/60/89/56/399608956.db2.gz DRCUNPXDXKKQKV-CHWSQXEVSA-N 1 2 316.430 2.911 20 30 DFEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602867439 399608971 /nfs/dbraw/zinc/60/89/71/399608971.db2.gz BXXFKTMOILUQKI-YOEHRIQHSA-N 1 2 315.417 2.641 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000602866159 399609050 /nfs/dbraw/zinc/60/90/50/399609050.db2.gz YUSOLRILJLAHJN-QMMMGPOBSA-N 1 2 317.723 2.772 20 30 DFEDLO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)ccc1Br ZINC000602871132 399609873 /nfs/dbraw/zinc/60/98/73/399609873.db2.gz YJYCBWRDSSLUQR-WDEREUQCSA-N 1 2 324.222 2.976 20 30 DFEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ncc1F ZINC000294787372 224220667 /nfs/dbraw/zinc/22/06/67/224220667.db2.gz KMPWQIXYGURDDZ-UHFFFAOYSA-N 1 2 317.339 2.880 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ncc1F ZINC000294787372 224220668 /nfs/dbraw/zinc/22/06/68/224220668.db2.gz KMPWQIXYGURDDZ-UHFFFAOYSA-N 1 2 317.339 2.880 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000602868791 399610290 /nfs/dbraw/zinc/61/02/90/399610290.db2.gz CVRJWNCJKVWVTG-RNCFNFMXSA-N 1 2 322.206 2.594 20 30 DFEDLO N#CC1(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602888572 399615870 /nfs/dbraw/zinc/61/58/70/399615870.db2.gz VKKNFZXJDKGWRV-LBPRGKRZSA-N 1 2 322.206 2.601 20 30 DFEDLO N#CC1(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000602888572 399615874 /nfs/dbraw/zinc/61/58/74/399615874.db2.gz VKKNFZXJDKGWRV-LBPRGKRZSA-N 1 2 322.206 2.601 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCOCC1 ZINC000120455226 195170418 /nfs/dbraw/zinc/17/04/18/195170418.db2.gz LDPJTDPOLXJTTD-QGZVFWFLSA-N 1 2 316.401 2.521 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCOCC1 ZINC000120455226 195170420 /nfs/dbraw/zinc/17/04/20/195170420.db2.gz LDPJTDPOLXJTTD-QGZVFWFLSA-N 1 2 316.401 2.521 20 30 DFEDLO Cc1ccc2oc(N3CC[NH+](Cc4ccc(C#N)o4)CC3)nc2c1 ZINC000120525111 195184357 /nfs/dbraw/zinc/18/43/57/195184357.db2.gz OSXRSZPOXBUZMF-UHFFFAOYSA-N 1 2 322.368 2.923 20 30 DFEDLO COCC[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC ZINC000120614754 195202761 /nfs/dbraw/zinc/20/27/61/195202761.db2.gz XFRQKIXBHLYPFF-UHFFFAOYSA-N 1 2 300.358 2.808 20 30 DFEDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC ZINC000120614754 195202764 /nfs/dbraw/zinc/20/27/64/195202764.db2.gz XFRQKIXBHLYPFF-UHFFFAOYSA-N 1 2 300.358 2.808 20 30 DFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000602897383 399618610 /nfs/dbraw/zinc/61/86/10/399618610.db2.gz WWNZYTSDQSTOGA-UHFFFAOYSA-N 1 2 323.400 2.895 20 30 DFEDLO Cc1nsc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1C#N ZINC000289530034 221043702 /nfs/dbraw/zinc/04/37/02/221043702.db2.gz DRYIMELBDFQKHM-UHFFFAOYSA-N 1 2 324.413 2.526 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(SC)CC1 ZINC000602923159 399627906 /nfs/dbraw/zinc/62/79/06/399627906.db2.gz QVVPUUVRFIACPH-OAHLLOKOSA-N 1 2 304.415 2.600 20 30 DFEDLO COCc1ncc2c(n1)CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000602925887 399630010 /nfs/dbraw/zinc/63/00/10/399630010.db2.gz PCFZWRLNSRQTKO-ZDUSSCGKSA-N 1 2 308.385 2.614 20 30 DFEDLO COCc1ncc2c(n1)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000602925887 399630012 /nfs/dbraw/zinc/63/00/12/399630012.db2.gz PCFZWRLNSRQTKO-ZDUSSCGKSA-N 1 2 308.385 2.614 20 30 DFEDLO COCC1([N@H+](C)Cc2cc(C#N)ccc2Br)CC1 ZINC000617216754 399631697 /nfs/dbraw/zinc/63/16/97/399631697.db2.gz SHDQMNDORMBKDL-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO COCC1([N@@H+](C)Cc2cc(C#N)ccc2Br)CC1 ZINC000617216754 399631702 /nfs/dbraw/zinc/63/17/02/399631702.db2.gz SHDQMNDORMBKDL-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289818930 221247651 /nfs/dbraw/zinc/24/76/51/221247651.db2.gz NZAIIDIXXKXQPK-NWDGAFQWSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289818930 221247653 /nfs/dbraw/zinc/24/76/53/221247653.db2.gz NZAIIDIXXKXQPK-NWDGAFQWSA-N 1 2 307.344 2.862 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290026860 221387429 /nfs/dbraw/zinc/38/74/29/221387429.db2.gz VNOAUGBNLROFSG-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290026860 221387430 /nfs/dbraw/zinc/38/74/30/221387430.db2.gz VNOAUGBNLROFSG-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405578 399644993 /nfs/dbraw/zinc/64/49/93/399644993.db2.gz ALORHODHJWMCBM-QGZVFWFLSA-N 1 2 303.454 2.735 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405578 399644996 /nfs/dbraw/zinc/64/49/96/399644996.db2.gz ALORHODHJWMCBM-QGZVFWFLSA-N 1 2 303.454 2.735 20 30 DFEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602976801 399645254 /nfs/dbraw/zinc/64/52/54/399645254.db2.gz SYXNOCNXBFBKBZ-JQHSSLGASA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602976801 399645256 /nfs/dbraw/zinc/64/52/56/399645256.db2.gz SYXNOCNXBFBKBZ-JQHSSLGASA-N 1 2 311.429 2.804 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602976015 399645631 /nfs/dbraw/zinc/64/56/31/399645631.db2.gz JTCILUVEBRUODI-ZWKOTPCHSA-N 1 2 313.445 2.831 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602976015 399645632 /nfs/dbraw/zinc/64/56/32/399645632.db2.gz JTCILUVEBRUODI-ZWKOTPCHSA-N 1 2 313.445 2.831 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602982079 399649698 /nfs/dbraw/zinc/64/96/98/399649698.db2.gz NFCDQVSQELEGFO-WBVHZDCISA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602982079 399649703 /nfs/dbraw/zinc/64/97/03/399649703.db2.gz NFCDQVSQELEGFO-WBVHZDCISA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602982077 399649969 /nfs/dbraw/zinc/64/99/69/399649969.db2.gz NFCDQVSQELEGFO-NVXWUHKLSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602982077 399649972 /nfs/dbraw/zinc/64/99/72/399649972.db2.gz NFCDQVSQELEGFO-NVXWUHKLSA-N 1 2 316.449 2.678 20 30 DFEDLO COc1cc(C[NH2+][C@H](C)CC#N)c([N+](=O)[O-])cc1OC(F)F ZINC000612584390 399682533 /nfs/dbraw/zinc/68/25/33/399682533.db2.gz DYAJRRHRCGTTFX-MRVPVSSYSA-N 1 2 315.276 2.597 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000612606195 399688087 /nfs/dbraw/zinc/68/80/87/399688087.db2.gz SUWGCOLXCFALSX-UHFFFAOYSA-N 1 2 314.776 2.681 20 30 DFEDLO C=CCCC1(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CCCC1 ZINC000617417770 399696533 /nfs/dbraw/zinc/69/65/33/399696533.db2.gz GFRKULMKMYIAQI-MRXNPFEDSA-N 1 2 318.465 2.666 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485676 399716399 /nfs/dbraw/zinc/71/63/99/399716399.db2.gz RODIUYSUTAVCAA-SFHVURJKSA-N 1 2 317.433 2.527 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000292411509 533233068 /nfs/dbraw/zinc/23/30/68/533233068.db2.gz MDXAMZMZHSXVTI-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000292411509 533233074 /nfs/dbraw/zinc/23/30/74/533233074.db2.gz MDXAMZMZHSXVTI-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632840514 399757843 /nfs/dbraw/zinc/75/78/43/399757843.db2.gz FBJNIKJDCAWJEY-NVXWUHKLSA-N 1 2 311.385 2.788 20 30 DFEDLO N#Cc1cccc(C#N)c1NCc1cccnc1-n1cc[nH+]c1 ZINC000302830952 543048274 /nfs/dbraw/zinc/04/82/74/543048274.db2.gz KVZCIPMVFSQDCY-UHFFFAOYSA-N 1 2 300.325 2.623 20 30 DFEDLO O=C(N[C@H]1CCOc2ccccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329131270 543100512 /nfs/dbraw/zinc/10/05/12/543100512.db2.gz XQNXSSPKNYQZDR-HNNXBMFYSA-N 1 2 316.401 2.722 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000604528735 399853240 /nfs/dbraw/zinc/85/32/40/399853240.db2.gz RKYDMAIYXLWXBG-UHFFFAOYSA-N 1 2 310.401 2.972 20 30 DFEDLO C[C@H](Cc1ccsc1)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558549 399856283 /nfs/dbraw/zinc/85/62/83/399856283.db2.gz JHWUAFYMRSHUCZ-LLVKDONJSA-N 1 2 312.402 2.845 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccccc1 ZINC000604558459 399856493 /nfs/dbraw/zinc/85/64/93/399856493.db2.gz FIMYFEVLBLRTHW-DZGCQCFKSA-N 1 2 304.357 2.708 20 30 DFEDLO CN(Cc1ccccc1F)c1[nH+]cnc2c1cnn2CCC#N ZINC000604559454 399856506 /nfs/dbraw/zinc/85/65/06/399856506.db2.gz UDQJIUPRWAKFDU-UHFFFAOYSA-N 1 2 310.336 2.515 20 30 DFEDLO Cc1ccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559319 399856540 /nfs/dbraw/zinc/85/65/40/399856540.db2.gz QGBSTNGWGXZXOK-UHFFFAOYSA-N 1 2 306.373 2.685 20 30 DFEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(F)cc3C#N)CC2)c1 ZINC000166077938 145232841 /nfs/dbraw/zinc/23/28/41/145232841.db2.gz UUBZOOOQUUPVEI-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)c(F)c1 ZINC000171481623 145268174 /nfs/dbraw/zinc/26/81/74/145268174.db2.gz BERNHHADQUNFAZ-UHFFFAOYSA-N 1 2 312.270 2.746 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000628491836 400036841 /nfs/dbraw/zinc/03/68/41/400036841.db2.gz IRZKSPRYRZUKPQ-RYUDHWBXSA-N 1 2 315.339 2.881 20 30 DFEDLO C=CCOc1c(Cl)cc(C[NH+]2CC(CCO)C2)cc1OC ZINC000628306481 400017897 /nfs/dbraw/zinc/01/78/97/400017897.db2.gz GJBWSMCDTVHLJG-UHFFFAOYSA-N 1 2 311.809 2.728 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355440788 147317864 /nfs/dbraw/zinc/31/78/64/147317864.db2.gz RDGIHLRWZOJAFZ-SECBINFHSA-N 1 2 317.311 2.979 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)c(C#N)c1C ZINC000355440788 147317868 /nfs/dbraw/zinc/31/78/68/147317868.db2.gz RDGIHLRWZOJAFZ-SECBINFHSA-N 1 2 317.311 2.979 20 30 DFEDLO N#Cc1c[nH]c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000355988052 147521142 /nfs/dbraw/zinc/52/11/42/147521142.db2.gz OTTLUUUUILQIJR-UHFFFAOYSA-N 1 2 316.324 2.848 20 30 DFEDLO COCCn1c2ccccc2[nH+]c1NCC(C)(C)CCC#N ZINC000603428405 543472586 /nfs/dbraw/zinc/47/25/86/543472586.db2.gz NDBWKQTXVYHLQY-UHFFFAOYSA-N 1 2 300.406 3.425 20 30 DFEDLO N#Cc1cccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1F ZINC000359532329 148684529 /nfs/dbraw/zinc/68/45/29/148684529.db2.gz TZDHUMWQOPYCHY-AWEZNQCLSA-N 1 2 306.287 2.799 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1F ZINC000361863626 149240022 /nfs/dbraw/zinc/24/00/22/149240022.db2.gz XTLCYNUHMCQATR-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO COc1ccc(C#N)cc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372997979 150213871 /nfs/dbraw/zinc/21/38/71/150213871.db2.gz OHYXVDKAILKNRL-UHFFFAOYSA-N 1 2 310.401 2.732 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373977639 150286684 /nfs/dbraw/zinc/28/66/84/150286684.db2.gz OKFULPDFCWXCOH-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373977639 150286686 /nfs/dbraw/zinc/28/66/86/150286686.db2.gz OKFULPDFCWXCOH-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO N#Cc1ccc(-c2nnc(CN3CCC[C@H]3c3[nH]cc[nH+]3)o2)cc1 ZINC000375006986 150382471 /nfs/dbraw/zinc/38/24/71/150382471.db2.gz ZPDXXHOKESLSSB-AWEZNQCLSA-N 1 2 320.356 2.668 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000247527533 158141661 /nfs/dbraw/zinc/14/16/61/158141661.db2.gz NYLUXRVZTNMMJZ-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000247527533 158141664 /nfs/dbraw/zinc/14/16/64/158141664.db2.gz NYLUXRVZTNMMJZ-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO N#Cc1ccc(Cl)cc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375657849 158845740 /nfs/dbraw/zinc/84/57/40/158845740.db2.gz NSIOUCYWVHFJLO-OAHLLOKOSA-N 1 2 316.792 2.885 20 30 DFEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000133852463 196339767 /nfs/dbraw/zinc/33/97/67/196339767.db2.gz WJWDJSOCUBPUNQ-UHFFFAOYSA-N 1 2 317.433 2.949 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395928 425890314 /nfs/dbraw/zinc/89/03/14/425890314.db2.gz AOGHRGHOQCVESY-GOSISDBHSA-N 1 2 305.381 2.621 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395928 425890315 /nfs/dbraw/zinc/89/03/15/425890315.db2.gz AOGHRGHOQCVESY-GOSISDBHSA-N 1 2 305.381 2.621 20 30 DFEDLO C=CC[N@@H+](Cc1cc2c(cccc2C)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541553 543626581 /nfs/dbraw/zinc/62/65/81/543626581.db2.gz UFEFVQIIDZEQBL-OAHLLOKOSA-N 1 2 318.442 2.651 20 30 DFEDLO C=CC[N@H+](Cc1cc2c(cccc2C)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541553 543626585 /nfs/dbraw/zinc/62/65/85/543626585.db2.gz UFEFVQIIDZEQBL-OAHLLOKOSA-N 1 2 318.442 2.651 20 30 DFEDLO 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N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340902493 268247826 /nfs/dbraw/zinc/24/78/26/268247826.db2.gz PWSJJOZFNNPGAZ-DGCLKSJQSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340902493 268247827 /nfs/dbraw/zinc/24/78/27/268247827.db2.gz PWSJJOZFNNPGAZ-DGCLKSJQSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000491476776 268267160 /nfs/dbraw/zinc/26/71/60/268267160.db2.gz BYPBULDBBBYURQ-MWWKQMNYSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000411766255 268287842 /nfs/dbraw/zinc/28/78/42/268287842.db2.gz ICJZQQUMHOYGJA-DLBZAZTESA-N 1 2 320.396 2.791 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C[C@@H](C)C#N ZINC000157640043 425939546 /nfs/dbraw/zinc/93/95/46/425939546.db2.gz BNQCXZMGQDVNLQ-NSHDSACASA-N 1 2 313.854 2.841 20 30 DFEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C[C@@H](C)C#N ZINC000157640043 425939550 /nfs/dbraw/zinc/93/95/50/425939550.db2.gz BNQCXZMGQDVNLQ-NSHDSACASA-N 1 2 313.854 2.841 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000331137404 268356101 /nfs/dbraw/zinc/35/61/01/268356101.db2.gz VYEPBUPOXYNMOB-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000331137404 268356102 /nfs/dbraw/zinc/35/61/02/268356102.db2.gz VYEPBUPOXYNMOB-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO Cc1ccc([C@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000159136550 425954812 /nfs/dbraw/zinc/95/48/12/425954812.db2.gz XLVPSRBUSHKYAX-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000159136550 425954813 /nfs/dbraw/zinc/95/48/13/425954813.db2.gz XLVPSRBUSHKYAX-GOSISDBHSA-N 1 2 312.369 2.912 20 30 DFEDLO N#CCCCC[S@@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072910100 426023095 /nfs/dbraw/zinc/02/30/95/426023095.db2.gz VDSNTHWPSIZCEL-NRFANRHFSA-N 1 2 301.415 2.874 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccnc2)c(C#N)c1C ZINC000162667936 426071744 /nfs/dbraw/zinc/07/17/44/426071744.db2.gz BLLKBAXAJISSSF-UHFFFAOYSA-N 1 2 314.414 2.702 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccnc2)c(C#N)c1C ZINC000162667936 426071748 /nfs/dbraw/zinc/07/17/48/426071748.db2.gz BLLKBAXAJISSSF-UHFFFAOYSA-N 1 2 314.414 2.702 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)s1 ZINC000127184596 426055037 /nfs/dbraw/zinc/05/50/37/426055037.db2.gz FUZXSJSBIMRORR-INIZCTEOSA-N 1 2 300.383 2.899 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)s1 ZINC000127184596 426055041 /nfs/dbraw/zinc/05/50/41/426055041.db2.gz FUZXSJSBIMRORR-INIZCTEOSA-N 1 2 300.383 2.899 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000072692660 426019671 /nfs/dbraw/zinc/01/96/71/426019671.db2.gz CDBYGAJZUSUUCI-CYBMUJFWSA-N 1 2 319.371 2.801 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000072692660 426019672 /nfs/dbraw/zinc/01/96/72/426019672.db2.gz CDBYGAJZUSUUCI-CYBMUJFWSA-N 1 2 319.371 2.801 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c(C#N)c1C ZINC000127840098 426088844 /nfs/dbraw/zinc/08/88/44/426088844.db2.gz BOXNPTJSLPSELB-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c(C#N)c1C ZINC000127840098 426088848 /nfs/dbraw/zinc/08/88/48/426088848.db2.gz BOXNPTJSLPSELB-LBPRGKRZSA-N 1 2 312.373 2.795 20 30 DFEDLO COc1ccc([NH2+]CC(C)(C)CCC#N)cc1-n1nnnc1C ZINC000128368694 426114395 /nfs/dbraw/zinc/11/43/95/426114395.db2.gz CCIROAGOTBEDMN-UHFFFAOYSA-N 1 2 314.393 2.721 20 30 DFEDLO C[NH+](C)[C@@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000076947082 426120117 /nfs/dbraw/zinc/12/01/17/426120117.db2.gz RTZXAGXGFIUHKR-SECBINFHSA-N 1 2 313.283 2.714 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000077247527 426124224 /nfs/dbraw/zinc/12/42/24/426124224.db2.gz RBGIHLIBUQVSOS-AWEZNQCLSA-N 1 2 311.385 2.824 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000077247527 426124226 /nfs/dbraw/zinc/12/42/26/426124226.db2.gz RBGIHLIBUQVSOS-AWEZNQCLSA-N 1 2 311.385 2.824 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559831 426073266 /nfs/dbraw/zinc/07/32/66/426073266.db2.gz VUCUVMBKIDIZTR-CABCVRRESA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127559831 426073269 /nfs/dbraw/zinc/07/32/69/426073269.db2.gz VUCUVMBKIDIZTR-CABCVRRESA-N 1 2 319.355 2.520 20 30 DFEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127586594 426073993 /nfs/dbraw/zinc/07/39/93/426073993.db2.gz IUBXZUVPUFJZPF-UHFFFAOYSA-N 1 2 313.361 2.731 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127586594 426073996 /nfs/dbraw/zinc/07/39/96/426073996.db2.gz IUBXZUVPUFJZPF-UHFFFAOYSA-N 1 2 313.361 2.731 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)[nH]1 ZINC000127613649 426076368 /nfs/dbraw/zinc/07/63/68/426076368.db2.gz PJYDPRYAGBTLFZ-UHFFFAOYSA-N 1 2 323.400 2.592 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)c(F)c1 ZINC000127644423 426078186 /nfs/dbraw/zinc/07/81/86/426078186.db2.gz DAJZCIQNMBXHBK-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Cl)c(F)c1 ZINC000127644423 426078188 /nfs/dbraw/zinc/07/81/88/426078188.db2.gz DAJZCIQNMBXHBK-INIZCTEOSA-N 1 2 323.799 2.719 20 30 DFEDLO C[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000127709718 426081278 /nfs/dbraw/zinc/08/12/78/426081278.db2.gz KCYPDHBYRSRAPJ-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000112560428 426082386 /nfs/dbraw/zinc/08/23/86/426082386.db2.gz FJGYZGXEWVVAKQ-INIZCTEOSA-N 1 2 308.385 2.845 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560213 426082923 /nfs/dbraw/zinc/08/29/23/426082923.db2.gz WGBFTPNPFAQOEH-GJZGRUSLSA-N 1 2 320.437 2.761 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560213 426082926 /nfs/dbraw/zinc/08/29/26/426082926.db2.gz WGBFTPNPFAQOEH-GJZGRUSLSA-N 1 2 320.437 2.761 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000112558979 426083218 /nfs/dbraw/zinc/08/32/18/426083218.db2.gz RYQYEOXVCMKFTA-GOSISDBHSA-N 1 2 305.381 2.643 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000112558979 426083220 /nfs/dbraw/zinc/08/32/20/426083220.db2.gz RYQYEOXVCMKFTA-GOSISDBHSA-N 1 2 305.381 2.643 20 30 DFEDLO CC(C)[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000116942724 426201756 /nfs/dbraw/zinc/20/17/56/426201756.db2.gz OVHMIHVFLXGPTQ-UHFFFAOYSA-N 1 2 308.223 2.851 20 30 DFEDLO C=CC[NH+](CC=C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000079866284 426205369 /nfs/dbraw/zinc/20/53/69/426205369.db2.gz FSMASXVPQZMSJS-UHFFFAOYSA-N 1 2 301.358 2.857 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)c1 ZINC000131681613 426165702 /nfs/dbraw/zinc/16/57/02/426165702.db2.gz AVISAJIQEGYOBO-UHFFFAOYSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1cccc(C[N@H+](CCS(C)(=O)=O)C(C)C)c1 ZINC000131681613 426165706 /nfs/dbraw/zinc/16/57/06/426165706.db2.gz AVISAJIQEGYOBO-UHFFFAOYSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131616184 426166179 /nfs/dbraw/zinc/16/61/79/426166179.db2.gz CZVFCBFRDBUUIL-KRWDZBQOSA-N 1 2 309.413 2.703 20 30 DFEDLO CC(C)c1nnc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)o1 ZINC000132194189 426168382 /nfs/dbraw/zinc/16/83/82/426168382.db2.gz OGGXJURGFCNPFT-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000115595360 426168995 /nfs/dbraw/zinc/16/89/95/426168995.db2.gz LFOFNOGDSAGXEW-QLJPJBMISA-N 1 2 315.323 2.714 20 30 DFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000115595332 426169373 /nfs/dbraw/zinc/16/93/73/426169373.db2.gz XZKKXCVDWIHHQP-MGPLVRAMSA-N 1 2 315.323 2.714 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132928975 426171855 /nfs/dbraw/zinc/17/18/55/426171855.db2.gz STXWRHDMEPNMAO-LRDDRELGSA-N 1 2 305.447 2.549 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132928975 426171858 /nfs/dbraw/zinc/17/18/58/426171858.db2.gz STXWRHDMEPNMAO-LRDDRELGSA-N 1 2 305.447 2.549 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000118398497 426235334 /nfs/dbraw/zinc/23/53/34/426235334.db2.gz PLLPHXNGQIPFHL-YJBOKZPZSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)c1 ZINC000118398497 426235336 /nfs/dbraw/zinc/23/53/36/426235336.db2.gz PLLPHXNGQIPFHL-YJBOKZPZSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000118993818 426254060 /nfs/dbraw/zinc/25/40/60/426254060.db2.gz LXQXDWCQQQZNRV-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000118993818 426254063 /nfs/dbraw/zinc/25/40/63/426254063.db2.gz LXQXDWCQQQZNRV-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000152522381 426345865 /nfs/dbraw/zinc/34/58/65/426345865.db2.gz SUGBLUMCTZKANA-MRXNPFEDSA-N 1 2 307.390 2.816 20 30 DFEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000152522381 426345866 /nfs/dbraw/zinc/34/58/66/426345866.db2.gz SUGBLUMCTZKANA-MRXNPFEDSA-N 1 2 307.390 2.816 20 30 DFEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000152522246 426346099 /nfs/dbraw/zinc/34/60/99/426346099.db2.gz SUGBLUMCTZKANA-INIZCTEOSA-N 1 2 307.390 2.816 20 30 DFEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000152522246 426346101 /nfs/dbraw/zinc/34/61/01/426346101.db2.gz SUGBLUMCTZKANA-INIZCTEOSA-N 1 2 307.390 2.816 20 30 DFEDLO CCCCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OC ZINC000092936387 426353011 /nfs/dbraw/zinc/35/30/11/426353011.db2.gz KQZHKNMROXHWON-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO Cc1ccn2c(CN(CCC#N)Cc3ccccn3)c[nH+]c2c1 ZINC000093100473 426353396 /nfs/dbraw/zinc/35/33/96/426353396.db2.gz XDYNSYYNQSDOQP-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093391747 426355059 /nfs/dbraw/zinc/35/50/59/426355059.db2.gz KCXBJKPSNMHNCI-AWEZNQCLSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CCOc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093391747 426355063 /nfs/dbraw/zinc/35/50/63/426355063.db2.gz KCXBJKPSNMHNCI-AWEZNQCLSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc(OC)c1O ZINC000093773037 426357993 /nfs/dbraw/zinc/35/79/93/426357993.db2.gz AVXIYHJAIULUHP-ZDUSSCGKSA-N 1 2 321.417 2.901 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc(OC)c1O ZINC000093773037 426357995 /nfs/dbraw/zinc/35/79/95/426357995.db2.gz AVXIYHJAIULUHP-ZDUSSCGKSA-N 1 2 321.417 2.901 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000153817537 426407436 /nfs/dbraw/zinc/40/74/36/426407436.db2.gz YAIKSXIVTSYPRD-CYBMUJFWSA-N 1 2 301.419 2.959 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000123400404 426430905 /nfs/dbraw/zinc/43/09/05/426430905.db2.gz WRMYGDJWHDQCRO-IAGOWNOFSA-N 1 2 313.401 2.805 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000123400404 426430907 /nfs/dbraw/zinc/43/09/07/426430907.db2.gz WRMYGDJWHDQCRO-IAGOWNOFSA-N 1 2 313.401 2.805 20 30 DFEDLO C=C(C)C[N@@H+](CC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000096965908 426439833 /nfs/dbraw/zinc/43/98/33/426439833.db2.gz WRCKHCAADFZEDZ-UHFFFAOYSA-N 1 2 316.384 2.735 20 30 DFEDLO C=C(C)C[N@H+](CC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000096965908 426439835 /nfs/dbraw/zinc/43/98/35/426439835.db2.gz WRCKHCAADFZEDZ-UHFFFAOYSA-N 1 2 316.384 2.735 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccn1 ZINC000340773252 269010859 /nfs/dbraw/zinc/01/08/59/269010859.db2.gz GTFFRMLSHQSLIO-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340842018 269020629 /nfs/dbraw/zinc/02/06/29/269020629.db2.gz UGGKDMNHBOVFBL-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340842018 269020631 /nfs/dbraw/zinc/02/06/31/269020631.db2.gz UGGKDMNHBOVFBL-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000177164023 426449943 /nfs/dbraw/zinc/44/99/43/426449943.db2.gz AGLHMJPHIZLRCE-HOTGVXAUSA-N 1 2 318.442 2.846 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000177164023 426449946 /nfs/dbraw/zinc/44/99/46/426449946.db2.gz AGLHMJPHIZLRCE-HOTGVXAUSA-N 1 2 318.442 2.846 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)cs1 ZINC000123957227 426463262 /nfs/dbraw/zinc/46/32/62/426463262.db2.gz IMRSSUZWSHUUHY-UHFFFAOYSA-N 1 2 318.471 2.703 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000155198331 426465548 /nfs/dbraw/zinc/46/55/48/426465548.db2.gz OZOVCESPDLZRLH-STQMWFEESA-N 1 2 305.447 2.503 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000155198331 426465553 /nfs/dbraw/zinc/46/55/53/426465553.db2.gz OZOVCESPDLZRLH-STQMWFEESA-N 1 2 305.447 2.503 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000155214645 426466732 /nfs/dbraw/zinc/46/67/32/426466732.db2.gz UNBRJEHOCHLADR-SWLSCSKDSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000155214645 426466735 /nfs/dbraw/zinc/46/67/35/426466735.db2.gz UNBRJEHOCHLADR-SWLSCSKDSA-N 1 2 305.809 2.927 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000264444326 426554416 /nfs/dbraw/zinc/55/44/16/426554416.db2.gz GOPSJVRASNPNSK-ZDUSSCGKSA-N 1 2 304.390 2.683 20 30 DFEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186461090 426530757 /nfs/dbraw/zinc/53/07/57/426530757.db2.gz BMPBRLCCMJMSPB-ZDUSSCGKSA-N 1 2 306.793 2.987 20 30 DFEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186461090 426530761 /nfs/dbraw/zinc/53/07/61/426530761.db2.gz BMPBRLCCMJMSPB-ZDUSSCGKSA-N 1 2 306.793 2.987 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000264438992 426553280 /nfs/dbraw/zinc/55/32/80/426553280.db2.gz FFGXECZQRXIOMZ-UHFFFAOYSA-N 1 2 319.361 2.584 20 30 DFEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000186251270 426497726 /nfs/dbraw/zinc/49/77/26/426497726.db2.gz XVILGLHFENSZER-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H](C#N)CCC#N ZINC000264908084 426580375 /nfs/dbraw/zinc/58/03/75/426580375.db2.gz YJRNMIMVXLDQQA-CQSZACIVSA-N 1 2 301.390 2.969 20 30 DFEDLO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H](C#N)CCC#N ZINC000264908084 426580381 /nfs/dbraw/zinc/58/03/81/426580381.db2.gz YJRNMIMVXLDQQA-CQSZACIVSA-N 1 2 301.390 2.969 20 30 DFEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC000265145210 426586838 /nfs/dbraw/zinc/58/68/38/426586838.db2.gz OVXKUGWDKJWJNU-QYCYQRASSA-N 1 2 318.417 2.857 20 30 DFEDLO CC[N@H+](CCS(=O)(=O)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000178214918 426589142 /nfs/dbraw/zinc/58/91/42/426589142.db2.gz SQQDUGUNNFGJBE-CQSZACIVSA-N 1 2 308.447 2.764 20 30 DFEDLO CC[N@@H+](CCS(=O)(=O)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000178214918 426589146 /nfs/dbraw/zinc/58/91/46/426589146.db2.gz SQQDUGUNNFGJBE-CQSZACIVSA-N 1 2 308.447 2.764 20 30 DFEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cnccn1 ZINC000178466132 426635024 /nfs/dbraw/zinc/63/50/24/426635024.db2.gz CASTXPWUWHDHHY-UHFFFAOYSA-N 1 2 321.302 2.859 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cnccn1 ZINC000178466132 426635030 /nfs/dbraw/zinc/63/50/30/426635030.db2.gz CASTXPWUWHDHHY-UHFFFAOYSA-N 1 2 321.302 2.859 20 30 DFEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000273307369 426639656 /nfs/dbraw/zinc/63/96/56/426639656.db2.gz HVRNOCMMBVXAHE-HNNXBMFYSA-N 1 2 307.401 2.540 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000280742962 426646324 /nfs/dbraw/zinc/64/63/24/426646324.db2.gz LIZIKTXHVLCXHI-PBHICJAKSA-N 1 2 302.422 2.860 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000280742962 426646329 /nfs/dbraw/zinc/64/63/29/426646329.db2.gz LIZIKTXHVLCXHI-PBHICJAKSA-N 1 2 302.422 2.860 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000280742967 426646710 /nfs/dbraw/zinc/64/67/10/426646710.db2.gz LIZIKTXHVLCXHI-WMLDXEAASA-N 1 2 302.422 2.860 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000280742967 426646713 /nfs/dbraw/zinc/64/67/13/426646713.db2.gz LIZIKTXHVLCXHI-WMLDXEAASA-N 1 2 302.422 2.860 20 30 DFEDLO CCN(CC)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000265579127 426655869 /nfs/dbraw/zinc/65/58/69/426655869.db2.gz XZTNZLVRLYKQRS-OAHLLOKOSA-N 1 2 314.433 2.699 20 30 DFEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2)cn1 ZINC000187517859 426666908 /nfs/dbraw/zinc/66/69/08/426666908.db2.gz NWPCIHYZUGVKPT-KRWDZBQOSA-N 1 2 310.332 2.903 20 30 DFEDLO N#Cc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000265761149 426684341 /nfs/dbraw/zinc/68/43/41/426684341.db2.gz HLKRREPLZBWNTE-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3cccs3)n2)C1=O ZINC000281446831 426719821 /nfs/dbraw/zinc/71/98/21/426719821.db2.gz UISQGYPKGBTBJV-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)C1=O ZINC000281446831 426719825 /nfs/dbraw/zinc/71/98/25/426719825.db2.gz UISQGYPKGBTBJV-CYBMUJFWSA-N 1 2 317.414 2.622 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000179201591 426769361 /nfs/dbraw/zinc/76/93/61/426769361.db2.gz XBAWMPYESJXVSO-CQDKDKBSSA-N 1 2 304.415 2.926 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000179201591 426769365 /nfs/dbraw/zinc/76/93/65/426769365.db2.gz XBAWMPYESJXVSO-CQDKDKBSSA-N 1 2 304.415 2.926 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nc(-c2ccccc2)no1 ZINC000266175566 426723708 /nfs/dbraw/zinc/72/37/08/426723708.db2.gz DUILMBOOMWTQSG-GFCCVEGCSA-N 1 2 318.377 2.587 20 30 DFEDLO N#CCOc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000266122154 426723944 /nfs/dbraw/zinc/72/39/44/426723944.db2.gz MOWBRURGUMHSNR-UHFFFAOYSA-N 1 2 310.279 2.960 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274259409 426730807 /nfs/dbraw/zinc/73/08/07/426730807.db2.gz BFXHRNJPPHVCNC-AEFFLSMTSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274259409 426730813 /nfs/dbraw/zinc/73/08/13/426730813.db2.gz BFXHRNJPPHVCNC-AEFFLSMTSA-N 1 2 316.445 2.606 20 30 DFEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266933184 426799168 /nfs/dbraw/zinc/79/91/68/426799168.db2.gz PCKKGUXYRJPWOP-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266933184 426799172 /nfs/dbraw/zinc/79/91/72/426799172.db2.gz PCKKGUXYRJPWOP-JTQLQIEISA-N 1 2 309.753 2.530 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000266961873 426804836 /nfs/dbraw/zinc/80/48/36/426804836.db2.gz WVWVNUUPNSUZKZ-UHFFFAOYSA-N 1 2 324.428 2.691 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000266961873 426804843 /nfs/dbraw/zinc/80/48/43/426804843.db2.gz WVWVNUUPNSUZKZ-UHFFFAOYSA-N 1 2 324.428 2.691 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052319 426821018 /nfs/dbraw/zinc/82/10/18/426821018.db2.gz RQBKLLQQUQUHQM-IAGOWNOFSA-N 1 2 314.429 2.625 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)C1=O ZINC000282052319 426821024 /nfs/dbraw/zinc/82/10/24/426821024.db2.gz RQBKLLQQUQUHQM-IAGOWNOFSA-N 1 2 314.429 2.625 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246723104 426858429 /nfs/dbraw/zinc/85/84/29/426858429.db2.gz NSBXVLKTDAHKLC-ZIAGYGMSSA-N 1 2 311.788 2.710 20 30 DFEDLO C=CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246723104 426858436 /nfs/dbraw/zinc/85/84/36/426858436.db2.gz NSBXVLKTDAHKLC-ZIAGYGMSSA-N 1 2 311.788 2.710 20 30 DFEDLO COC(=O)c1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1C ZINC000181108063 426915338 /nfs/dbraw/zinc/91/53/38/426915338.db2.gz RZIHSHGOSJGZCQ-UHFFFAOYSA-N 1 2 320.352 2.913 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000282274073 426868658 /nfs/dbraw/zinc/86/86/58/426868658.db2.gz RLDQFTKUMDOGHV-GXTWGEPZSA-N 1 2 312.207 2.712 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000282274073 426868665 /nfs/dbraw/zinc/86/86/65/426868665.db2.gz RLDQFTKUMDOGHV-GXTWGEPZSA-N 1 2 312.207 2.712 20 30 DFEDLO C[C@@]1(F)CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295258994 426881751 /nfs/dbraw/zinc/88/17/51/426881751.db2.gz BPJPWFSBIYGCSS-OAHLLOKOSA-N 1 2 309.772 2.974 20 30 DFEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000295258994 426881758 /nfs/dbraw/zinc/88/17/58/426881758.db2.gz BPJPWFSBIYGCSS-OAHLLOKOSA-N 1 2 309.772 2.974 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000275648078 426885090 /nfs/dbraw/zinc/88/50/90/426885090.db2.gz CFPVICUMWZYOJP-GOSISDBHSA-N 1 2 319.449 2.657 20 30 DFEDLO C=CCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCC1 ZINC000189580947 426895839 /nfs/dbraw/zinc/89/58/39/426895839.db2.gz HYJQVAUOSREBAL-UHFFFAOYSA-N 1 2 315.417 2.912 20 30 DFEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(C#N)cc3)CC2)S1 ZINC000268245973 426964581 /nfs/dbraw/zinc/96/45/81/426964581.db2.gz YGBCWPJEZFSJMH-UHFFFAOYSA-N 1 2 300.431 2.562 20 30 DFEDLO [O-]C(NC[C@@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328632029 426984859 /nfs/dbraw/zinc/98/48/59/426984859.db2.gz ABQMZUUPDHLYCU-VXGBXAGGSA-N 1 2 312.364 2.527 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCC(F)(F)C1 ZINC000328632029 426984866 /nfs/dbraw/zinc/98/48/66/426984866.db2.gz ABQMZUUPDHLYCU-VXGBXAGGSA-N 1 2 312.364 2.527 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCCCCNc1cccc[nH+]1 ZINC000275874021 426936560 /nfs/dbraw/zinc/93/65/60/426936560.db2.gz ZHMXQVBUDVJLFQ-KRWDZBQOSA-N 1 2 305.422 2.619 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1cc(C#N)ccn1)CCCC2 ZINC000283714645 427061605 /nfs/dbraw/zinc/06/16/05/427061605.db2.gz 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C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329070558 427035864 /nfs/dbraw/zinc/03/58/64/427035864.db2.gz NKFHVWZTYGPOTL-CVYDXHPNSA-N 1 2 324.465 2.792 20 30 DFEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248737055 427038047 /nfs/dbraw/zinc/03/80/47/427038047.db2.gz CGLUTOFFYBPRGC-DOTOQJQBSA-N 1 2 306.356 2.630 20 30 DFEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248737055 427038056 /nfs/dbraw/zinc/03/80/56/427038056.db2.gz CGLUTOFFYBPRGC-DOTOQJQBSA-N 1 2 306.356 2.630 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCOC1)C1CCOCC1 ZINC000329144355 427051844 /nfs/dbraw/zinc/05/18/44/427051844.db2.gz WGLJVSPFRTVKGC-XJKSGUPXSA-N 1 2 321.421 2.754 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1(C)CCCC1)C1CCOCC1 ZINC000329140589 427052601 /nfs/dbraw/zinc/05/26/01/427052601.db2.gz TUMQXMOIGBDKPG-AWEZNQCLSA-N 1 2 320.437 2.724 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329261441 427075312 /nfs/dbraw/zinc/07/53/12/427075312.db2.gz DAYXKIMKHWCNSW-IKGGRYGDSA-N 1 2 324.465 2.505 20 30 DFEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329261441 427075317 /nfs/dbraw/zinc/07/53/17/427075317.db2.gz DAYXKIMKHWCNSW-IKGGRYGDSA-N 1 2 324.465 2.505 20 30 DFEDLO CC1(C)C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000329268865 427078336 /nfs/dbraw/zinc/07/83/36/427078336.db2.gz GSNCQLWZCLZKCB-STQMWFEESA-N 1 2 320.437 2.849 20 30 DFEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329299510 427084136 /nfs/dbraw/zinc/08/41/36/427084136.db2.gz LZKPOWBKUNKCAU-GFCCVEGCSA-N 1 2 322.434 2.647 20 30 DFEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@H]1CCC[N@H+]1C1CC1 ZINC000329299510 427084139 /nfs/dbraw/zinc/08/41/39/427084139.db2.gz LZKPOWBKUNKCAU-GFCCVEGCSA-N 1 2 322.434 2.647 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccnc(C#N)c1)CCCC2 ZINC000283870404 427090063 /nfs/dbraw/zinc/09/00/63/427090063.db2.gz UWBVGNKBQWUXBU-QGZVFWFLSA-N 1 2 307.401 2.907 20 30 DFEDLO 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/nfs/dbraw/zinc/10/74/08/427107408.db2.gz XVWWTWQJCVPPBL-NEPJUHHUSA-N 1 2 318.421 2.818 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C2)[nH]1 ZINC000329481348 427125989 /nfs/dbraw/zinc/12/59/89/427125989.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C2)[nH]1 ZINC000329481348 427125994 /nfs/dbraw/zinc/12/59/94/427125994.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C2)n1 ZINC000329481348 427126000 /nfs/dbraw/zinc/12/60/00/427126000.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C2)n1 ZINC000329481348 427126003 /nfs/dbraw/zinc/12/60/03/427126003.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329481348 427126010 /nfs/dbraw/zinc/12/60/10/427126010.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329481348 427126014 /nfs/dbraw/zinc/12/60/14/427126014.db2.gz RDZDNRXEMBXURH-TZMCWYRMSA-N 1 2 319.453 2.970 20 30 DFEDLO CC1(C)CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)O1 ZINC000329502076 427127267 /nfs/dbraw/zinc/12/72/67/427127267.db2.gz KPZXFSVHMKRICL-CABCVRRESA-N 1 2 310.438 2.544 20 30 DFEDLO CC1(C)CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)O1 ZINC000329502076 427127274 /nfs/dbraw/zinc/12/72/74/427127274.db2.gz KPZXFSVHMKRICL-CABCVRRESA-N 1 2 310.438 2.544 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329531891 427134580 /nfs/dbraw/zinc/13/45/80/427134580.db2.gz WUEKOQSZRKSNJS-PVAVHDDUSA-N 1 2 324.465 2.790 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329531891 427134588 /nfs/dbraw/zinc/13/45/88/427134588.db2.gz WUEKOQSZRKSNJS-PVAVHDDUSA-N 1 2 324.465 2.790 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N 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/nfs/dbraw/zinc/23/79/17/427237917.db2.gz TWNKNMWMWXEYBQ-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000269645095 427237924 /nfs/dbraw/zinc/23/79/24/427237924.db2.gz TWNKNMWMWXEYBQ-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000269645095 427237928 /nfs/dbraw/zinc/23/79/28/427237928.db2.gz TWNKNMWMWXEYBQ-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000269645095 427237933 /nfs/dbraw/zinc/23/79/33/427237933.db2.gz TWNKNMWMWXEYBQ-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000269645095 427237938 /nfs/dbraw/zinc/23/79/38/427237938.db2.gz TWNKNMWMWXEYBQ-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1c(C#N)c(NCC2([NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000296830365 427241488 /nfs/dbraw/zinc/24/14/88/427241488.db2.gz RXPQUZGRQBDNKO-UHFFFAOYSA-N 1 2 322.412 2.692 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000338304826 427248730 /nfs/dbraw/zinc/24/87/30/427248730.db2.gz IBMVJXZZAYECRW-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000338304826 427248739 /nfs/dbraw/zinc/24/87/39/427248739.db2.gz IBMVJXZZAYECRW-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO CC[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330547050 427260840 /nfs/dbraw/zinc/26/08/40/427260840.db2.gz VPDNDBDTKBQIID-SNVBAGLBSA-N 1 2 304.316 2.734 20 30 DFEDLO C=CC[N@@H+](C/C(C)=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000255380560 427263210 /nfs/dbraw/zinc/26/32/10/427263210.db2.gz ZCKRHNHPQWCBQG-VMEIHUARSA-N 1 2 305.443 2.765 20 30 DFEDLO C=CC[N@H+](C/C(C)=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000255380560 427263219 /nfs/dbraw/zinc/26/32/19/427263219.db2.gz ZCKRHNHPQWCBQG-VMEIHUARSA-N 1 2 305.443 2.765 20 30 DFEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccncc1F ZINC000338343627 427268858 /nfs/dbraw/zinc/26/88/58/427268858.db2.gz 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ZINC000330956525 427322352 /nfs/dbraw/zinc/32/23/52/427322352.db2.gz CAGAHFKSHXBQSL-OAHLLOKOSA-N 1 2 314.433 2.553 20 30 DFEDLO CC1CCN(c2ccc(CNC(=O)CC(C)(C)C#N)c[nH+]2)CC1 ZINC000330980152 427324592 /nfs/dbraw/zinc/32/45/92/427324592.db2.gz VABLSIRZCLPJIK-UHFFFAOYSA-N 1 2 314.433 2.874 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)ccc1F ZINC000191396296 427340512 /nfs/dbraw/zinc/34/05/12/427340512.db2.gz OGKGYBHXEPGZCY-SFHVURJKSA-N 1 2 313.376 2.918 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)ccc1F ZINC000191396296 427340517 /nfs/dbraw/zinc/34/05/17/427340517.db2.gz OGKGYBHXEPGZCY-SFHVURJKSA-N 1 2 313.376 2.918 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285795503 427340987 /nfs/dbraw/zinc/34/09/87/427340987.db2.gz ZTFMWHNASLBPDO-MRXNPFEDSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000285795503 427340994 /nfs/dbraw/zinc/34/09/94/427340994.db2.gz ZTFMWHNASLBPDO-MRXNPFEDSA-N 1 2 319.380 2.798 20 30 DFEDLO CC[C@H](C)n1ncc(NC(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000331128691 427349838 /nfs/dbraw/zinc/34/98/38/427349838.db2.gz OGWCAJYOMGECFN-NSHDSACASA-N 1 2 304.398 2.574 20 30 DFEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269874879 427296777 /nfs/dbraw/zinc/29/67/77/427296777.db2.gz OWSQKJDLPDVAOC-SECBINFHSA-N 1 2 305.794 2.754 20 30 DFEDLO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331288658 427391004 /nfs/dbraw/zinc/39/10/04/427391004.db2.gz INSCARMORBBKTJ-UHFFFAOYSA-N 1 2 321.377 2.727 20 30 DFEDLO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331288658 427391009 /nfs/dbraw/zinc/39/10/09/427391009.db2.gz INSCARMORBBKTJ-UHFFFAOYSA-N 1 2 321.377 2.727 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000285878469 427362618 /nfs/dbraw/zinc/36/26/18/427362618.db2.gz IJRANZWKZCQLJW-UHFFFAOYSA-N 1 2 322.359 2.516 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000278834197 427469457 /nfs/dbraw/zinc/46/94/57/427469457.db2.gz QVUBOKACTQFWDW-NVXWUHKLSA-N 1 2 317.433 2.525 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1F ZINC000191883633 427438293 /nfs/dbraw/zinc/43/82/93/427438293.db2.gz XSFOTHJRRZMTKF-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(COC)no1 ZINC000298019424 427503156 /nfs/dbraw/zinc/50/31/56/427503156.db2.gz DCTIWQGGSQLGHV-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(COC)no1 ZINC000298019424 427503162 /nfs/dbraw/zinc/50/31/62/427503162.db2.gz DCTIWQGGSQLGHV-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO N#Cc1sc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1Cl ZINC000286385303 427511783 /nfs/dbraw/zinc/51/17/83/427511783.db2.gz YPSXZLNMVULZDJ-SECBINFHSA-N 1 2 305.794 2.754 20 30 DFEDLO C=CCN(C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000271482463 427555103 /nfs/dbraw/zinc/55/51/03/427555103.db2.gz IMQMPEIWHGUDPW-UHFFFAOYSA-N 1 2 324.428 2.986 20 30 DFEDLO Cc1cccnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271504769 427563785 /nfs/dbraw/zinc/56/37/85/427563785.db2.gz LAFKUXJNXMJHBF-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO CC1CCN(c2ccc(CNc3nccnc3C#N)c[nH+]2)CC1 ZINC000263802228 427574808 /nfs/dbraw/zinc/57/48/08/427574808.db2.gz LSKIUHDGLFWCKF-UHFFFAOYSA-N 1 2 308.389 2.592 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)s1 ZINC000185013050 427578906 /nfs/dbraw/zinc/57/89/06/427578906.db2.gz ZUCVBBKDMFWIAJ-SECBINFHSA-N 1 2 306.416 2.674 20 30 DFEDLO N#Cc1c(F)cccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263867053 427595312 /nfs/dbraw/zinc/59/53/12/427595312.db2.gz CBWNQHOXVJXBCB-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO N#Cc1c(F)cccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263867053 427595320 /nfs/dbraw/zinc/59/53/20/427595320.db2.gz CBWNQHOXVJXBCB-UHFFFAOYSA-N 1 2 316.405 2.866 20 30 DFEDLO COc1cncc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000343708845 272205107 /nfs/dbraw/zinc/20/51/07/272205107.db2.gz JUTCHZAXKNMOAU-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cncc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000343708845 272205108 /nfs/dbraw/zinc/20/51/08/272205108.db2.gz JUTCHZAXKNMOAU-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO Cc1cn2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000339121281 427684944 /nfs/dbraw/zinc/68/49/44/427684944.db2.gz YSJFZCAPSSSFLM-ZDUSSCGKSA-N 1 2 320.352 2.920 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339189550 427722458 /nfs/dbraw/zinc/72/24/58/427722458.db2.gz KIOVFPWDWGETBO-IIMNLJJBSA-N 1 2 309.772 2.500 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339189550 427722466 /nfs/dbraw/zinc/72/24/66/427722466.db2.gz KIOVFPWDWGETBO-IIMNLJJBSA-N 1 2 309.772 2.500 20 30 DFEDLO Cc1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)nc1C#N ZINC000344935700 272387245 /nfs/dbraw/zinc/38/72/45/272387245.db2.gz NHXMZPDSRWQFNY-UHFFFAOYSA-N 1 2 309.295 2.657 20 30 DFEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1nccn1C(F)F ZINC000298722887 427686749 /nfs/dbraw/zinc/68/67/49/427686749.db2.gz OQWAXMDTUYJRFC-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nccn1C(F)F ZINC000298722887 427686754 /nfs/dbraw/zinc/68/67/54/427686754.db2.gz OQWAXMDTUYJRFC-UHFFFAOYSA-N 1 2 306.316 2.661 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)on1 ZINC000339141409 427699584 /nfs/dbraw/zinc/69/95/84/427699584.db2.gz NIWASOUXBXUUKF-HNNXBMFYSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)on1 ZINC000339141409 427699591 /nfs/dbraw/zinc/69/95/91/427699591.db2.gz NIWASOUXBXUUKF-HNNXBMFYSA-N 1 2 310.357 2.630 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287869014 427705791 /nfs/dbraw/zinc/70/57/91/427705791.db2.gz SELKDQPLOHDGQJ-CYBMUJFWSA-N 1 2 309.207 2.523 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000287869014 427705801 /nfs/dbraw/zinc/70/58/01/427705801.db2.gz SELKDQPLOHDGQJ-CYBMUJFWSA-N 1 2 309.207 2.523 20 30 DFEDLO CC(C)[C@@H](CNc1c(Cl)cccc1C#N)[NH+]1CCOCC1 ZINC000301207995 427781848 /nfs/dbraw/zinc/78/18/48/427781848.db2.gz ROLGYNSYANGJQU-OAHLLOKOSA-N 1 2 307.825 2.980 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)OCC ZINC000339492807 427783858 /nfs/dbraw/zinc/78/38/58/427783858.db2.gz FMBPQKSGTGRGQE-HUUCEWRRSA-N 1 2 305.422 2.556 20 30 DFEDLO C[C@@H](c1ccccn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000194155851 427734717 /nfs/dbraw/zinc/73/47/17/427734717.db2.gz VKHXLSAJCOFLDS-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO C=CCOCC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339562300 427793500 /nfs/dbraw/zinc/79/35/00/427793500.db2.gz NREAOGYEQWSXRA-OAHLLOKOSA-N 1 2 313.401 2.538 20 30 DFEDLO Cc1cc(NC[C@@H](O)COc2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000301685672 427815945 /nfs/dbraw/zinc/81/59/45/427815945.db2.gz UJCSIDSKRISFPZ-CQSZACIVSA-N 1 2 315.348 2.561 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)C1=O ZINC000337227580 427819297 /nfs/dbraw/zinc/81/92/97/427819297.db2.gz QFEPKTPSZRSKRT-OAHLLOKOSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2Cl)C1=O ZINC000337227580 427819300 /nfs/dbraw/zinc/81/93/00/427819300.db2.gz QFEPKTPSZRSKRT-OAHLLOKOSA-N 1 2 308.809 2.567 20 30 DFEDLO Cc1cc(N2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301756128 427821731 /nfs/dbraw/zinc/82/17/31/427821731.db2.gz DNIGUJJFLDMSLS-OAHLLOKOSA-N 1 2 314.433 2.559 20 30 DFEDLO Cc1cc(NCCC2N=NC(=S)N2C(C)C)c(C#N)c(C)[nH+]1 ZINC000301770659 427822883 /nfs/dbraw/zinc/82/28/83/427822883.db2.gz JARFAOGBLZJALL-UHFFFAOYSA-N 1 2 316.434 2.686 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339758389 427823900 /nfs/dbraw/zinc/82/39/00/427823900.db2.gz QVIOJNCPSYSFID-UHFFFAOYSA-N 1 2 317.389 2.843 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000339758389 427823903 /nfs/dbraw/zinc/82/39/03/427823903.db2.gz QVIOJNCPSYSFID-UHFFFAOYSA-N 1 2 317.389 2.843 20 30 DFEDLO N#Cc1ccc(OCCNc2nc(N)c3ccccc3[nH+]2)cc1 ZINC000301926813 427842694 /nfs/dbraw/zinc/84/26/94/427842694.db2.gz ZFYFUXQXDYCMSM-UHFFFAOYSA-N 1 2 305.341 2.575 20 30 DFEDLO Cc1oc(C#N)cc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000345835804 427925438 /nfs/dbraw/zinc/92/54/38/427925438.db2.gz FFHGTFIEIISKNW-UHFFFAOYSA-N 1 2 305.297 2.748 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(c3ccccc3C)C2)C1=O ZINC000337379630 427874390 /nfs/dbraw/zinc/87/43/90/427874390.db2.gz BUBGCAVUVCLCMS-WMZOPIPTSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(c3ccccc3C)C2)C1=O ZINC000337379630 427874392 /nfs/dbraw/zinc/87/43/92/427874392.db2.gz BUBGCAVUVCLCMS-WMZOPIPTSA-N 1 2 302.393 2.652 20 30 DFEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncn(-c3ccccc3)n1)CC2 ZINC000340536466 427875670 /nfs/dbraw/zinc/87/56/70/427875670.db2.gz PBRQLPTXESSZCN-SFHVURJKSA-N 1 2 315.380 2.916 20 30 DFEDLO N#Cc1ccncc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349902436 427895089 /nfs/dbraw/zinc/89/50/89/427895089.db2.gz JEKTYHVFOMYPGO-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(F)cc1C#N ZINC000303407126 427903575 /nfs/dbraw/zinc/90/35/75/427903575.db2.gz RXHOPKJGMRLBMV-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(F)cc1C#N ZINC000303407126 427903577 /nfs/dbraw/zinc/90/35/77/427903577.db2.gz RXHOPKJGMRLBMV-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000350766812 427970584 /nfs/dbraw/zinc/97/05/84/427970584.db2.gz DFXBWRAKRZMPKY-AWEZNQCLSA-N 1 2 310.357 2.730 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000350229097 427937847 /nfs/dbraw/zinc/93/78/47/427937847.db2.gz VINDAJTYJLWYFP-UHFFFAOYSA-N 1 2 323.278 2.632 20 30 DFEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc[nH+]c(C4CC4)n3)n2)c1 ZINC000340906026 427946866 /nfs/dbraw/zinc/94/68/66/427946866.db2.gz WHLVJQQILGZFKV-UHFFFAOYSA-N 1 2 316.368 3.228 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000337545186 427951478 /nfs/dbraw/zinc/95/14/78/427951478.db2.gz NQCMJNHCSVXEDI-CQSZACIVSA-N 1 2 311.385 2.803 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000337545186 427951482 /nfs/dbraw/zinc/95/14/82/427951482.db2.gz NQCMJNHCSVXEDI-CQSZACIVSA-N 1 2 311.385 2.803 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)o1)c1ccccc1F ZINC000369674752 428035188 /nfs/dbraw/zinc/03/51/88/428035188.db2.gz ZARDRSVSLGTKOP-INIZCTEOSA-N 1 2 310.332 2.903 20 30 DFEDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356093986 428018206 /nfs/dbraw/zinc/01/82/06/428018206.db2.gz VOISNVFRJAGZBS-LBPRGKRZSA-N 1 2 324.413 2.788 20 30 DFEDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356093986 428018212 /nfs/dbraw/zinc/01/82/12/428018212.db2.gz VOISNVFRJAGZBS-LBPRGKRZSA-N 1 2 324.413 2.788 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000359933879 428084284 /nfs/dbraw/zinc/08/42/84/428084284.db2.gz RQXPSYBEIHBPLP-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C2 ZINC000356272606 428099517 /nfs/dbraw/zinc/09/95/17/428099517.db2.gz WEMPSTUFIUCCAY-BXUZGUMPSA-N 1 2 302.422 2.692 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)CC2 ZINC000356272606 428099520 /nfs/dbraw/zinc/09/95/20/428099520.db2.gz WEMPSTUFIUCCAY-BXUZGUMPSA-N 1 2 302.422 2.692 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)n1 ZINC000356291865 428107519 /nfs/dbraw/zinc/10/75/19/428107519.db2.gz CZHHMGSFSQALGL-QGZVFWFLSA-N 1 2 313.426 2.541 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)n1 ZINC000356291865 428107522 /nfs/dbraw/zinc/10/75/22/428107522.db2.gz CZHHMGSFSQALGL-QGZVFWFLSA-N 1 2 313.426 2.541 20 30 DFEDLO CC(C)(C#N)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000356305822 428116242 /nfs/dbraw/zinc/11/62/42/428116242.db2.gz QNUNNCVGICVIAI-UHFFFAOYSA-N 1 2 307.195 2.736 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000359896881 428066512 /nfs/dbraw/zinc/06/65/12/428066512.db2.gz RBKLGTLZDZJYSC-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000359896881 428066516 /nfs/dbraw/zinc/06/65/16/428066516.db2.gz RBKLGTLZDZJYSC-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C#CCCCc1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000370089542 428130727 /nfs/dbraw/zinc/13/07/27/428130727.db2.gz BHFMIHAHPDFNEJ-OAHLLOKOSA-N 1 2 303.406 2.732 20 30 DFEDLO C#CCCCc1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000370089542 428130732 /nfs/dbraw/zinc/13/07/32/428130732.db2.gz BHFMIHAHPDFNEJ-OAHLLOKOSA-N 1 2 303.406 2.732 20 30 DFEDLO Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1C#N ZINC000360050206 428135130 /nfs/dbraw/zinc/13/51/30/428135130.db2.gz JVEUMRJKDGNYFZ-AWEZNQCLSA-N 1 2 314.776 2.968 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(OC(F)F)c1 ZINC000352449926 428135968 /nfs/dbraw/zinc/13/59/68/428135968.db2.gz PAINZWCRFKPUQO-UHFFFAOYSA-N 1 2 309.291 2.987 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccccc2)CC1)C1CC1 ZINC000370165163 428149911 /nfs/dbraw/zinc/14/99/11/428149911.db2.gz ZVXQEXKZNITSNH-FQEVSTJZSA-N 1 2 323.440 2.974 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCOCC3(CC3)C2)c1C ZINC000360097453 428158218 /nfs/dbraw/zinc/15/82/18/428158218.db2.gz KBSVDNBEJWNRKG-UHFFFAOYSA-N 1 2 302.418 2.586 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCOCC3(CC3)C2)c1C ZINC000360097453 428158226 /nfs/dbraw/zinc/15/82/26/428158226.db2.gz KBSVDNBEJWNRKG-UHFFFAOYSA-N 1 2 302.418 2.586 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000341690627 428158699 /nfs/dbraw/zinc/15/86/99/428158699.db2.gz NXOGAPKQLXEXQN-AWEZNQCLSA-N 1 2 314.776 2.826 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(Br)c1 ZINC000360100203 428161412 /nfs/dbraw/zinc/16/14/12/428161412.db2.gz WNRINZNMLIIJOO-UHFFFAOYSA-N 1 2 321.218 2.933 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOCC3(CC3)C2)c(Br)c1 ZINC000360100203 428161415 /nfs/dbraw/zinc/16/14/15/428161415.db2.gz WNRINZNMLIIJOO-UHFFFAOYSA-N 1 2 321.218 2.933 20 30 DFEDLO Cn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356402055 428161920 /nfs/dbraw/zinc/16/19/20/428161920.db2.gz XWYWBXZAPKBFFP-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356402055 428161925 /nfs/dbraw/zinc/16/19/25/428161925.db2.gz XWYWBXZAPKBFFP-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO COc1cc(C[N@H+](Cc2nc(C#N)cs2)C2CC2)ccc1O ZINC000356414760 428169132 /nfs/dbraw/zinc/16/91/32/428169132.db2.gz OEQLTZKQMKQOIH-UHFFFAOYSA-N 1 2 315.398 2.894 20 30 DFEDLO COc1cc(C[N@@H+](Cc2nc(C#N)cs2)C2CC2)ccc1O ZINC000356414760 428169136 /nfs/dbraw/zinc/16/91/36/428169136.db2.gz OEQLTZKQMKQOIH-UHFFFAOYSA-N 1 2 315.398 2.894 20 30 DFEDLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000360142985 428179230 /nfs/dbraw/zinc/17/92/30/428179230.db2.gz YYHZEJVQGVSSQK-IAGOWNOFSA-N 1 2 300.402 2.889 20 30 DFEDLO CC1(C)CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000360142985 428179237 /nfs/dbraw/zinc/17/92/37/428179237.db2.gz YYHZEJVQGVSSQK-IAGOWNOFSA-N 1 2 300.402 2.889 20 30 DFEDLO N#Cc1cccc([C@H]2CN(Cc3c[nH+]c4ccccn34)CCO2)c1 ZINC000341808423 428210441 /nfs/dbraw/zinc/21/04/41/428210441.db2.gz HMWPAQPLSQYXQW-GOSISDBHSA-N 1 2 318.380 2.779 20 30 DFEDLO CSc1ccc(CSC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414120120 428211148 /nfs/dbraw/zinc/21/11/48/428211148.db2.gz ARRCOSFEKZNHLY-CQSZACIVSA-N 1 2 310.488 2.848 20 30 DFEDLO CSc1ccc(CSC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414120120 428211152 /nfs/dbraw/zinc/21/11/52/428211152.db2.gz ARRCOSFEKZNHLY-CQSZACIVSA-N 1 2 310.488 2.848 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000370354388 428191781 /nfs/dbraw/zinc/19/17/81/428191781.db2.gz BXTCUPULPCKVAV-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO N#Cc1cc(F)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000370354388 428191787 /nfs/dbraw/zinc/19/17/87/428191787.db2.gz BXTCUPULPCKVAV-UHFFFAOYSA-N 1 2 316.311 2.579 20 30 DFEDLO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000356475743 428195466 /nfs/dbraw/zinc/19/54/66/428195466.db2.gz RFIGKNORHFRSLG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000356475743 428195469 /nfs/dbraw/zinc/19/54/69/428195469.db2.gz RFIGKNORHFRSLG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO CC[C@H](C#N)S(=O)(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000360198190 428199944 /nfs/dbraw/zinc/19/99/44/428199944.db2.gz JXSATJDSWFBEJR-OAHLLOKOSA-N 1 2 317.370 2.918 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000360199397 428200827 /nfs/dbraw/zinc/20/08/27/428200827.db2.gz QCMDUGFOVNURCX-AWEZNQCLSA-N 1 2 318.380 2.934 20 30 DFEDLO CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000360198189 428201694 /nfs/dbraw/zinc/20/16/94/428201694.db2.gz JXSATJDSWFBEJR-HNNXBMFYSA-N 1 2 317.370 2.918 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000341993786 428270981 /nfs/dbraw/zinc/27/09/81/428270981.db2.gz PHYWWPXONSYBLJ-UHFFFAOYSA-N 1 2 310.401 2.624 20 30 DFEDLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000360328567 428254862 /nfs/dbraw/zinc/25/48/62/428254862.db2.gz OJIPVHQMIQCGDR-MPGHIAIKSA-N 1 2 322.412 2.968 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000371019061 428342381 /nfs/dbraw/zinc/34/23/81/428342381.db2.gz ODSRJJHCPMMSDT-MRXNPFEDSA-N 1 2 324.428 2.824 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000371019061 428342382 /nfs/dbraw/zinc/34/23/82/428342382.db2.gz ODSRJJHCPMMSDT-MRXNPFEDSA-N 1 2 324.428 2.824 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346875354 428356336 /nfs/dbraw/zinc/35/63/36/428356336.db2.gz BIGXZZVEWUVMPU-HOCLYGCPSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346875354 428356342 /nfs/dbraw/zinc/35/63/42/428356342.db2.gz BIGXZZVEWUVMPU-HOCLYGCPSA-N 1 2 324.384 2.843 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357112043 428393377 /nfs/dbraw/zinc/39/33/77/428393377.db2.gz UFKVCWQZRHZNBT-UHFFFAOYSA-N 1 2 311.389 2.669 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346875345 428356993 /nfs/dbraw/zinc/35/69/93/428356993.db2.gz BIGXZZVEWUVMPU-GDBMZVCRSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346875345 428356999 /nfs/dbraw/zinc/35/69/99/428356999.db2.gz BIGXZZVEWUVMPU-GDBMZVCRSA-N 1 2 324.384 2.843 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000371342115 428381961 /nfs/dbraw/zinc/38/19/61/428381961.db2.gz UUMCAIWLNFLVFI-CQSZACIVSA-N 1 2 320.462 2.741 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000371342115 428381965 /nfs/dbraw/zinc/38/19/65/428381965.db2.gz UUMCAIWLNFLVFI-CQSZACIVSA-N 1 2 320.462 2.741 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1C ZINC000346958809 428385012 /nfs/dbraw/zinc/38/50/12/428385012.db2.gz BYQDKRVDECXGNQ-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1C ZINC000346958809 428385017 /nfs/dbraw/zinc/38/50/17/428385017.db2.gz BYQDKRVDECXGNQ-INIZCTEOSA-N 1 2 324.384 2.939 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)o1 ZINC000372397549 428438548 /nfs/dbraw/zinc/43/85/48/428438548.db2.gz FDXNHDPCAMQXFO-UHFFFAOYSA-N 1 2 315.417 2.766 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)o1 ZINC000372397549 428438554 /nfs/dbraw/zinc/43/85/54/428438554.db2.gz FDXNHDPCAMQXFO-UHFFFAOYSA-N 1 2 315.417 2.766 20 30 DFEDLO N#CCc1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000372450417 428449415 /nfs/dbraw/zinc/44/94/15/428449415.db2.gz VEFLNTKIEFZLAU-QGZVFWFLSA-N 1 2 320.396 2.546 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000353322817 428485657 /nfs/dbraw/zinc/48/56/57/428485657.db2.gz DAXKGODWIARBIT-CHWSQXEVSA-N 1 2 323.387 2.966 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000353322817 428485659 /nfs/dbraw/zinc/48/56/59/428485659.db2.gz DAXKGODWIARBIT-CHWSQXEVSA-N 1 2 323.387 2.966 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342981519 428498320 /nfs/dbraw/zinc/49/83/20/428498320.db2.gz SJTLBLZYULHROL-HOCLYGCPSA-N 1 2 303.406 2.989 20 30 DFEDLO CC[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347244738 428509974 /nfs/dbraw/zinc/50/99/74/428509974.db2.gz HNUWTLSBXPBTOI-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347244738 428509977 /nfs/dbraw/zinc/50/99/77/428509977.db2.gz HNUWTLSBXPBTOI-AWEZNQCLSA-N 1 2 309.207 2.668 20 30 DFEDLO C=C(Br)C[N@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000373039576 428513372 /nfs/dbraw/zinc/51/33/72/428513372.db2.gz IEXDXFWYVGQCKI-ZDUSSCGKSA-N 1 2 313.243 2.658 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000373039576 428513377 /nfs/dbraw/zinc/51/33/77/428513377.db2.gz IEXDXFWYVGQCKI-ZDUSSCGKSA-N 1 2 313.243 2.658 20 30 DFEDLO C=CCCC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000347254539 428513916 /nfs/dbraw/zinc/51/39/16/428513916.db2.gz XSZXRKZUROZWTK-KBPBESRZSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCCC1(c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000347254539 428513921 /nfs/dbraw/zinc/51/39/21/428513921.db2.gz XSZXRKZUROZWTK-KBPBESRZSA-N 1 2 303.406 2.993 20 30 DFEDLO COc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1(C#N)CC1 ZINC000343243769 428541701 /nfs/dbraw/zinc/54/17/01/428541701.db2.gz AUWHWDZLSFEFGA-MRXNPFEDSA-N 1 2 300.402 2.980 20 30 DFEDLO COc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1(C#N)CC1 ZINC000343243769 428541707 /nfs/dbraw/zinc/54/17/07/428541707.db2.gz AUWHWDZLSFEFGA-MRXNPFEDSA-N 1 2 300.402 2.980 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCCCN1CCO[C@H](C#N)C1 ZINC000361297900 428555008 /nfs/dbraw/zinc/55/50/08/428555008.db2.gz VGZAZERNAUWKKK-MRXNPFEDSA-N 1 2 312.417 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000358061209 428579168 /nfs/dbraw/zinc/57/91/68/428579168.db2.gz GXSCNKYNJJECOJ-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000358061209 428579174 /nfs/dbraw/zinc/57/91/74/428579174.db2.gz GXSCNKYNJJECOJ-CQSZACIVSA-N 1 2 311.472 2.584 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C#N)c(F)c3)cn2c1 ZINC000353581320 428605317 /nfs/dbraw/zinc/60/53/17/428605317.db2.gz YUDMCPLQHVGATR-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO CCOCc1nc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)no1 ZINC000353612615 428618971 /nfs/dbraw/zinc/61/89/71/428618971.db2.gz SPCZWZGBFWYJQS-XHDPSFHLSA-N 1 2 312.373 2.816 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000347687585 428619779 /nfs/dbraw/zinc/61/97/79/428619779.db2.gz JAEATUKIKYANMA-PWSUYJOCSA-N 1 2 311.307 2.926 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000347644513 428620656 /nfs/dbraw/zinc/62/06/56/428620656.db2.gz VMNAZKQJUWCNKY-UHFFFAOYSA-N 1 2 320.440 2.833 20 30 DFEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C#N)ccn2)cc1 ZINC000344312761 428630414 /nfs/dbraw/zinc/63/04/14/428630414.db2.gz YDFMHVAOBBSMGZ-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000373804433 428650430 /nfs/dbraw/zinc/65/04/30/428650430.db2.gz IKMHKANSHISFOG-MSOLQXFVSA-N 1 2 319.832 2.961 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000373804433 428650434 /nfs/dbraw/zinc/65/04/34/428650434.db2.gz IKMHKANSHISFOG-MSOLQXFVSA-N 1 2 319.832 2.961 20 30 DFEDLO Cc1nc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cs1 ZINC000348309996 428703003 /nfs/dbraw/zinc/70/30/03/428703003.db2.gz QIPXKGPFFUPYFS-VIFPVBQESA-N 1 2 318.402 2.822 20 30 DFEDLO CNc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000348345657 428716067 /nfs/dbraw/zinc/71/60/67/428716067.db2.gz QGFTXVRFWZSANZ-UHFFFAOYSA-N 1 2 319.368 2.897 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374638620 428719750 /nfs/dbraw/zinc/71/97/50/428719750.db2.gz VHXQCEDIWUWSRC-YJBOKZPZSA-N 1 2 317.408 2.565 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374638620 428719754 /nfs/dbraw/zinc/71/97/54/428719754.db2.gz VHXQCEDIWUWSRC-YJBOKZPZSA-N 1 2 317.408 2.565 20 30 DFEDLO C=C[C@@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000362371904 428723918 /nfs/dbraw/zinc/72/39/18/428723918.db2.gz VQRRVCQFMTXGQM-OAHLLOKOSA-N 1 2 316.449 2.904 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000362378767 428725160 /nfs/dbraw/zinc/72/51/60/428725160.db2.gz GVOICNYBYOBPJC-CHWSQXEVSA-N 1 2 323.387 2.803 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000362378767 428725164 /nfs/dbraw/zinc/72/51/64/428725164.db2.gz GVOICNYBYOBPJC-CHWSQXEVSA-N 1 2 323.387 2.803 20 30 DFEDLO C=CCSc1ccccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362388440 428729650 /nfs/dbraw/zinc/72/96/50/428729650.db2.gz HCRXEADPRUMFMO-UHFFFAOYSA-N 1 2 301.415 2.970 20 30 DFEDLO Cc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nc1C#N ZINC000344970824 428729839 /nfs/dbraw/zinc/72/98/39/428729839.db2.gz IYZDWRGLOURYKA-UHFFFAOYSA-N 1 2 307.401 3.259 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374877582 428772606 /nfs/dbraw/zinc/77/26/06/428772606.db2.gz OLTJVEQECMRDSJ-CJNGLKHVSA-N 1 2 322.836 2.794 20 30 DFEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCNc1cccc[nH+]1 ZINC000411300091 428773580 /nfs/dbraw/zinc/77/35/80/428773580.db2.gz XBZIXMZYDGMQBV-UHFFFAOYSA-N 1 2 322.412 2.750 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362521563 428785579 /nfs/dbraw/zinc/78/55/79/428785579.db2.gz VBGIWOUHCIRZRV-GOSISDBHSA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362521563 428785585 /nfs/dbraw/zinc/78/55/85/428785585.db2.gz VBGIWOUHCIRZRV-GOSISDBHSA-N 1 2 317.429 2.879 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2nccn21 ZINC000348641897 428805022 /nfs/dbraw/zinc/80/50/22/428805022.db2.gz JTUDRUFGBJNBMC-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2nccn21 ZINC000348641897 428805028 /nfs/dbraw/zinc/80/50/28/428805028.db2.gz JTUDRUFGBJNBMC-UHFFFAOYSA-N 1 2 311.385 2.998 20 30 DFEDLO COCCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354033209 428834123 /nfs/dbraw/zinc/83/41/23/428834123.db2.gz JHELTJQSHYKNDL-CQSZACIVSA-N 1 2 318.417 2.844 20 30 DFEDLO COCCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354033209 428834130 /nfs/dbraw/zinc/83/41/30/428834130.db2.gz JHELTJQSHYKNDL-CQSZACIVSA-N 1 2 318.417 2.844 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363101802 428859643 /nfs/dbraw/zinc/85/96/43/428859643.db2.gz VHXGZTLZUIOZBJ-INIZCTEOSA-N 1 2 308.385 2.620 20 30 DFEDLO N#Cc1c(F)ccc(C[NH+]2CCC(n3cncn3)CC2)c1Cl ZINC000375415702 428878657 /nfs/dbraw/zinc/87/86/57/428878657.db2.gz OBUIKVDCBLCMPP-UHFFFAOYSA-N 1 2 319.771 2.779 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000412044449 428922945 /nfs/dbraw/zinc/92/29/45/428922945.db2.gz QNVQZYHHOSFKGR-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000412044449 428922951 /nfs/dbraw/zinc/92/29/51/428922951.db2.gz QNVQZYHHOSFKGR-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000412044449 428922955 /nfs/dbraw/zinc/92/29/55/428922955.db2.gz QNVQZYHHOSFKGR-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nc([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000412044449 428922965 /nfs/dbraw/zinc/92/29/65/428922965.db2.gz QNVQZYHHOSFKGR-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO C[C@H](CCO)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000419226485 428928269 /nfs/dbraw/zinc/92/82/69/428928269.db2.gz JALOTRLTPHMOTI-CYBMUJFWSA-N 1 2 301.415 2.788 20 30 DFEDLO C[C@H](CCO)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000419226485 428928276 /nfs/dbraw/zinc/92/82/76/428928276.db2.gz JALOTRLTPHMOTI-CYBMUJFWSA-N 1 2 301.415 2.788 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000419300643 428930761 /nfs/dbraw/zinc/93/07/61/428930761.db2.gz MJSGZNDUKMWFAE-HOCLYGCPSA-N 1 2 316.401 2.567 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccon1 ZINC000349249350 428948522 /nfs/dbraw/zinc/94/85/22/428948522.db2.gz WWHBUZPSKVRBNY-ZJUUUORDSA-N 1 2 318.764 2.877 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000354306074 428961665 /nfs/dbraw/zinc/96/16/65/428961665.db2.gz UWEZZZNJDZJSGK-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000354306074 428961669 /nfs/dbraw/zinc/96/16/69/428961669.db2.gz UWEZZZNJDZJSGK-CYBMUJFWSA-N 1 2 317.389 2.974 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375787896 428970678 /nfs/dbraw/zinc/97/06/78/428970678.db2.gz HPGSUXDQNVGRGM-KRWDZBQOSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375787896 428970683 /nfs/dbraw/zinc/97/06/83/428970683.db2.gz HPGSUXDQNVGRGM-KRWDZBQOSA-N 1 2 312.369 2.994 20 30 DFEDLO Cc1nc([C@@](C)([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)no1 ZINC000433318868 429023333 /nfs/dbraw/zinc/02/33/33/429023333.db2.gz MUIHGLMGHQDTJM-INIZCTEOSA-N 1 2 300.337 2.804 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1Cl ZINC000375944843 429024129 /nfs/dbraw/zinc/02/41/29/429024129.db2.gz BWOUGRRGDLPZJY-LBPRGKRZSA-N 1 2 319.771 2.607 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H]2Cn2cncn2)c1Cl ZINC000375944843 429024133 /nfs/dbraw/zinc/02/41/33/429024133.db2.gz BWOUGRRGDLPZJY-LBPRGKRZSA-N 1 2 319.771 2.607 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000355034478 429025873 /nfs/dbraw/zinc/02/58/73/429025873.db2.gz HTHWEHSQVAHEJD-ZWKOTPCHSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000355034478 429025875 /nfs/dbraw/zinc/02/58/75/429025875.db2.gz HTHWEHSQVAHEJD-ZWKOTPCHSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1=O ZINC000451976516 429030294 /nfs/dbraw/zinc/03/02/94/429030294.db2.gz YKSLFUVZWJDVSF-HOTGVXAUSA-N 1 2 306.356 2.889 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1=O ZINC000451976516 429030298 /nfs/dbraw/zinc/03/02/98/429030298.db2.gz YKSLFUVZWJDVSF-HOTGVXAUSA-N 1 2 306.356 2.889 20 30 DFEDLO CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000412282738 429004278 /nfs/dbraw/zinc/00/42/78/429004278.db2.gz PWWAZPOGTPXWQL-ARFHVFGLSA-N 1 2 308.385 2.898 20 30 DFEDLO C=CCOc1ccc(CC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452330533 429096233 /nfs/dbraw/zinc/09/62/33/429096233.db2.gz GXQZOOGZTMVPFI-UHFFFAOYSA-N 1 2 311.385 2.965 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000376335113 429096551 /nfs/dbraw/zinc/09/65/51/429096551.db2.gz RWQSGZISSNTDIA-PBHICJAKSA-N 1 2 322.412 2.927 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC(F)(F)F ZINC000355433185 429046206 /nfs/dbraw/zinc/04/62/06/429046206.db2.gz FVWYMZQFRVWIFY-LLVKDONJSA-N 1 2 305.344 2.602 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC(F)(F)F ZINC000355433185 429046208 /nfs/dbraw/zinc/04/62/08/429046208.db2.gz FVWYMZQFRVWIFY-LLVKDONJSA-N 1 2 305.344 2.602 20 30 DFEDLO Cc1nc2[nH]ccc2c(NCCSCc2ccccc2C#N)[nH+]1 ZINC000433789981 429050676 /nfs/dbraw/zinc/05/06/76/429050676.db2.gz SJOMXLFNAJCSMP-UHFFFAOYSA-N 1 2 323.425 3.483 20 30 DFEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422590093 429051947 /nfs/dbraw/zinc/05/19/47/429051947.db2.gz OHSKLTQTFUJNRY-UHFFFAOYSA-N 1 2 317.433 2.519 20 30 DFEDLO N#Cc1cccc(C2(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000435468971 429145075 /nfs/dbraw/zinc/14/50/75/429145075.db2.gz SAYLQBRNURZBQO-OAHLLOKOSA-N 1 2 320.396 2.719 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000487298171 429147098 /nfs/dbraw/zinc/14/70/98/429147098.db2.gz AVJDYWCIKPLEDJ-CYBMUJFWSA-N 1 2 307.825 2.742 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cc(Cl)cc1Cl ZINC000424145745 429098481 /nfs/dbraw/zinc/09/84/81/429098481.db2.gz ZGWDLSSYIUZIHP-JTQLQIEISA-N 1 2 321.179 2.718 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cc(Cl)cc1Cl ZINC000424145745 429098486 /nfs/dbraw/zinc/09/84/86/429098486.db2.gz ZGWDLSSYIUZIHP-JTQLQIEISA-N 1 2 321.179 2.718 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000434622545 429100088 /nfs/dbraw/zinc/10/00/88/429100088.db2.gz FVOIUWOTUHCFPD-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434622545 429100092 /nfs/dbraw/zinc/10/00/92/429100092.db2.gz FVOIUWOTUHCFPD-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)nn1 ZINC000424301354 429122136 /nfs/dbraw/zinc/12/21/36/429122136.db2.gz ZTTOEDSBWODOEN-GFCCVEGCSA-N 1 2 302.426 2.575 20 30 DFEDLO N#Cc1cnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000413021535 429122716 /nfs/dbraw/zinc/12/27/16/429122716.db2.gz BSDWZFUFKXMYRB-DAXSKMNVSA-N 1 2 322.387 2.928 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)nn1 ZINC000424300439 429123257 /nfs/dbraw/zinc/12/32/57/429123257.db2.gz XOPPGODBTRDQCW-CQSZACIVSA-N 1 2 322.416 2.715 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3cccnc3)CC2)cc1 ZINC000376539195 429130990 /nfs/dbraw/zinc/13/09/90/429130990.db2.gz KHIZUZOGDZVIBF-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3cccnc3)CC2)cc1 ZINC000376539195 429130997 /nfs/dbraw/zinc/13/09/97/429130997.db2.gz KHIZUZOGDZVIBF-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452753390 429137015 /nfs/dbraw/zinc/13/70/15/429137015.db2.gz JOGBYPKRCNTIIB-OAHLLOKOSA-N 1 2 308.385 2.930 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])CCC2 ZINC000364073018 429166005 /nfs/dbraw/zinc/16/60/05/429166005.db2.gz DOYZFPQOUOHXSH-ZDUSSCGKSA-N 1 2 311.345 2.961 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000454923599 429175757 /nfs/dbraw/zinc/17/57/57/429175757.db2.gz HTSRWGYRMVVYAN-HNNXBMFYSA-N 1 2 320.437 2.636 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000424793833 429192769 /nfs/dbraw/zinc/19/27/69/429192769.db2.gz NZWCDEPWBDFOQL-CQSZACIVSA-N 1 2 317.433 2.730 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439454704 429218680 /nfs/dbraw/zinc/21/86/80/429218680.db2.gz OOBUJTSCFAGCED-HNNXBMFYSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439454704 429218685 /nfs/dbraw/zinc/21/86/85/429218685.db2.gz OOBUJTSCFAGCED-HNNXBMFYSA-N 1 2 319.836 2.948 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489230358 429223185 /nfs/dbraw/zinc/22/31/85/429223185.db2.gz ANMHAFXPSMFPOP-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489230358 429223188 /nfs/dbraw/zinc/22/31/88/429223188.db2.gz ANMHAFXPSMFPOP-AWEZNQCLSA-N 1 2 320.408 2.833 20 30 DFEDLO COc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1C#N ZINC000440822272 429227026 /nfs/dbraw/zinc/22/70/26/429227026.db2.gz PCQFMWFULQBPFH-HNNXBMFYSA-N 1 2 318.323 2.668 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@H](C#N)CCC#N ZINC000441415211 429231112 /nfs/dbraw/zinc/23/11/12/429231112.db2.gz LSIFDHFBFHADJW-QGZVFWFLSA-N 1 2 307.401 2.807 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000425126271 429236432 /nfs/dbraw/zinc/23/64/32/429236432.db2.gz HTIRYLIIIVSTSF-BBRMVZONSA-N 1 2 308.385 2.537 20 30 DFEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(OC)c1 ZINC000443047012 429244569 /nfs/dbraw/zinc/24/45/69/429244569.db2.gz HFSBEFGTVBMBEH-UHFFFAOYSA-N 1 2 306.369 3.549 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000489475533 429245284 /nfs/dbraw/zinc/24/52/84/429245284.db2.gz HCKVFHDOKWYRDZ-OAHLLOKOSA-N 1 2 316.401 2.761 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000489475533 429245288 /nfs/dbraw/zinc/24/52/88/429245288.db2.gz HCKVFHDOKWYRDZ-OAHLLOKOSA-N 1 2 316.401 2.761 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccccc1OC ZINC000489505778 429248760 /nfs/dbraw/zinc/24/87/60/429248760.db2.gz FMDMUVUFMRGIAL-OAHLLOKOSA-N 1 2 323.458 2.900 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccccc1OC ZINC000489505778 429248764 /nfs/dbraw/zinc/24/87/64/429248764.db2.gz FMDMUVUFMRGIAL-OAHLLOKOSA-N 1 2 323.458 2.900 20 30 DFEDLO N#CCCCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445541541 429288700 /nfs/dbraw/zinc/28/87/00/429288700.db2.gz RNZHBWDZHXMRQB-OAQYLSRUSA-N 1 2 301.415 2.874 20 30 DFEDLO Cc1cc(N2CCCN3c4ccccc4C[C@H]3C2)c(C#N)c[nH+]1 ZINC000425268186 429254251 /nfs/dbraw/zinc/25/42/51/429254251.db2.gz NOUCULIZEZXWLL-KRWDZBQOSA-N 1 2 304.397 2.903 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000491314252 429347434 /nfs/dbraw/zinc/34/74/34/429347434.db2.gz FIQSWYXFHCFOOD-MRXNPFEDSA-N 1 2 324.428 2.679 20 30 DFEDLO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365469361 429324018 /nfs/dbraw/zinc/32/40/18/429324018.db2.gz KVKXLGJZCKWBCN-CYBMUJFWSA-N 1 2 319.771 2.875 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038153 429324262 /nfs/dbraw/zinc/32/42/62/429324262.db2.gz RYMSBLIKIPJDRC-KBPBESRZSA-N 1 2 320.458 2.818 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000449038153 429324267 /nfs/dbraw/zinc/32/42/67/429324267.db2.gz RYMSBLIKIPJDRC-KBPBESRZSA-N 1 2 320.458 2.818 20 30 DFEDLO COc1nccnc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000449050414 429324428 /nfs/dbraw/zinc/32/44/28/429324428.db2.gz UMNRRDDLRODPIP-NVXWUHKLSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccnc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000449050414 429324432 /nfs/dbraw/zinc/32/44/32/429324432.db2.gz UMNRRDDLRODPIP-NVXWUHKLSA-N 1 2 308.385 2.757 20 30 DFEDLO C#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491127448 429328245 /nfs/dbraw/zinc/32/82/45/429328245.db2.gz WVTSVHKJKRECDK-AWEZNQCLSA-N 1 2 305.740 2.556 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000491241269 429338830 /nfs/dbraw/zinc/33/88/30/429338830.db2.gz IBPNTVBBCPOFLM-INIZCTEOSA-N 1 2 324.428 2.674 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000491241269 429338835 /nfs/dbraw/zinc/33/88/35/429338835.db2.gz IBPNTVBBCPOFLM-INIZCTEOSA-N 1 2 324.428 2.674 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CC(C)(C)C#N)ccc2n1[C@H](C)CO ZINC000456735517 429344077 /nfs/dbraw/zinc/34/40/77/429344077.db2.gz WLIAHBFBJXCTID-LLVKDONJSA-N 1 2 314.389 2.776 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000365390597 429312075 /nfs/dbraw/zinc/31/20/75/429312075.db2.gz MYLFLMNHSQFYTO-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000365390597 429312081 /nfs/dbraw/zinc/31/20/81/429312081.db2.gz MYLFLMNHSQFYTO-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(F)cc1 ZINC000491314358 429347325 /nfs/dbraw/zinc/34/73/25/429347325.db2.gz GDPAUEDRUJELRH-INIZCTEOSA-N 1 2 320.327 2.511 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000448768539 429317391 /nfs/dbraw/zinc/31/73/91/429317391.db2.gz DQMSWAUDYRVRRN-IAQYHMDHSA-N 1 2 304.419 2.617 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000491688431 429390978 /nfs/dbraw/zinc/39/09/78/429390978.db2.gz BLBRZRQJURMJEY-UHFFFAOYSA-N 1 2 323.400 2.830 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000491688431 429390984 /nfs/dbraw/zinc/39/09/84/429390984.db2.gz BLBRZRQJURMJEY-UHFFFAOYSA-N 1 2 323.400 2.830 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)cc2F)n1 ZINC000491754451 429403209 /nfs/dbraw/zinc/40/32/09/429403209.db2.gz SWCOCTWPHKJVRK-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)cc2F)n1 ZINC000491754451 429403213 /nfs/dbraw/zinc/40/32/13/429403213.db2.gz SWCOCTWPHKJVRK-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000491765159 429404399 /nfs/dbraw/zinc/40/43/99/429404399.db2.gz BTVRIGFKYCXQPU-QGZVFWFLSA-N 1 2 310.376 2.680 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426135158 429369280 /nfs/dbraw/zinc/36/92/80/429369280.db2.gz ZQPDPRQBRADEKS-SNVBAGLBSA-N 1 2 303.753 2.618 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(Cl)c2)n1 ZINC000491525404 429369312 /nfs/dbraw/zinc/36/93/12/429369312.db2.gz SEESEVABRYMWOF-UHFFFAOYSA-N 1 2 317.820 2.818 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(Cl)c2)n1 ZINC000491525404 429369315 /nfs/dbraw/zinc/36/93/15/429369315.db2.gz SEESEVABRYMWOF-UHFFFAOYSA-N 1 2 317.820 2.818 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000514995432 429373405 /nfs/dbraw/zinc/37/34/05/429373405.db2.gz NXHGOPGQBRQTNG-KWQFWETISA-N 1 2 316.752 2.631 20 30 DFEDLO C#CC[N@@H+](CN1Cc2cccnc2C1=O)[C@@H]1CCc2ccccc21 ZINC000491556528 429374011 /nfs/dbraw/zinc/37/40/11/429374011.db2.gz YEDOUULQSZOYME-GOSISDBHSA-N 1 2 317.392 2.618 20 30 DFEDLO C#CC[N@H+](CN1Cc2cccnc2C1=O)[C@@H]1CCc2ccccc21 ZINC000491556528 429374015 /nfs/dbraw/zinc/37/40/15/429374015.db2.gz YEDOUULQSZOYME-GOSISDBHSA-N 1 2 317.392 2.618 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000491632908 429381952 /nfs/dbraw/zinc/38/19/52/429381952.db2.gz IGXKWDZQGUBJNI-AWEZNQCLSA-N 1 2 304.802 2.965 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000491646230 429384553 /nfs/dbraw/zinc/38/45/53/429384553.db2.gz SAIUXGAZZVKUQD-KBPBESRZSA-N 1 2 315.442 2.830 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000491646230 429384559 /nfs/dbraw/zinc/38/45/59/429384559.db2.gz SAIUXGAZZVKUQD-KBPBESRZSA-N 1 2 315.442 2.830 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000449421948 429410686 /nfs/dbraw/zinc/41/06/86/429410686.db2.gz MDXAMZMZHSXVTI-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000449421948 429410691 /nfs/dbraw/zinc/41/06/91/429410691.db2.gz MDXAMZMZHSXVTI-OAHLLOKOSA-N 1 2 304.390 2.586 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(F)cc(OC)c2)n1 ZINC000491670518 429387878 /nfs/dbraw/zinc/38/78/78/429387878.db2.gz VRCMKDOIDMRAMY-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(F)cc(OC)c2)n1 ZINC000491670518 429387882 /nfs/dbraw/zinc/38/78/82/429387882.db2.gz VRCMKDOIDMRAMY-UHFFFAOYSA-N 1 2 301.365 2.686 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000449525930 429443311 /nfs/dbraw/zinc/44/33/11/429443311.db2.gz CSSNVNWVBHALPL-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000449525930 429443317 /nfs/dbraw/zinc/44/33/17/429443317.db2.gz CSSNVNWVBHALPL-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO N#Cc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000492054850 429458843 /nfs/dbraw/zinc/45/88/43/429458843.db2.gz ASHZOWMIDPTLEB-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000492054850 429458846 /nfs/dbraw/zinc/45/88/46/429458846.db2.gz ASHZOWMIDPTLEB-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492098825 429465944 /nfs/dbraw/zinc/46/59/44/429465944.db2.gz NLQKZAILTIUAPL-AWEZNQCLSA-N 1 2 321.808 2.922 20 30 DFEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000492098825 429465949 /nfs/dbraw/zinc/46/59/49/429465949.db2.gz NLQKZAILTIUAPL-AWEZNQCLSA-N 1 2 321.808 2.922 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000366171181 429427690 /nfs/dbraw/zinc/42/76/90/429427690.db2.gz HQMUDVVNUXRQLU-LJQANCHMSA-N 1 2 322.383 2.523 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000366562947 429475764 /nfs/dbraw/zinc/47/57/64/429475764.db2.gz BKYGNPGQYPYBCE-STQMWFEESA-N 1 2 304.228 2.555 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000366562947 429475766 /nfs/dbraw/zinc/47/57/66/429475766.db2.gz BKYGNPGQYPYBCE-STQMWFEESA-N 1 2 304.228 2.555 20 30 DFEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC3(C#N)CCC3)CC2)c1 ZINC000450254085 429588146 /nfs/dbraw/zinc/58/81/46/429588146.db2.gz HKEUROAYKQLLFN-UHFFFAOYSA-N 1 2 311.429 2.837 20 30 DFEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC3(C#N)CCC3)CC2)c1 ZINC000450254085 429588148 /nfs/dbraw/zinc/58/81/48/429588148.db2.gz HKEUROAYKQLLFN-UHFFFAOYSA-N 1 2 311.429 2.837 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000492411308 429532074 /nfs/dbraw/zinc/53/20/74/429532074.db2.gz SUQPPNJVNYXTDZ-HSBSLETESA-N 1 2 314.776 2.951 20 30 DFEDLO Cc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1C#N ZINC000366899503 429536074 /nfs/dbraw/zinc/53/60/74/429536074.db2.gz DSBVAYRELYTMQI-KRWDZBQOSA-N 1 2 320.396 2.661 20 30 DFEDLO CC[C@H]1c2cccn2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367438847 429647437 /nfs/dbraw/zinc/64/74/37/429647437.db2.gz PSAZJMAPSVVVPR-INIZCTEOSA-N 1 2 305.385 2.974 20 30 DFEDLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367438847 429647439 /nfs/dbraw/zinc/64/74/39/429647439.db2.gz PSAZJMAPSVVVPR-INIZCTEOSA-N 1 2 305.385 2.974 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000367477248 429657780 /nfs/dbraw/zinc/65/77/80/429657780.db2.gz OBPDJXKEWQFDGJ-IPMKNSEASA-N 1 2 317.404 2.693 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000367477248 429657783 /nfs/dbraw/zinc/65/77/83/429657783.db2.gz OBPDJXKEWQFDGJ-IPMKNSEASA-N 1 2 317.404 2.693 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)/C=C\c2[nH+]ccn2CC)cc1 ZINC000493010680 429666595 /nfs/dbraw/zinc/66/65/95/429666595.db2.gz YVCFAXJRHFENEM-YDZSZYSISA-N 1 2 308.385 2.860 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc(C#N)c1F)C[C@H](C)O2 ZINC000430278188 429671745 /nfs/dbraw/zinc/67/17/45/429671745.db2.gz PGHIMKRTIIBWRL-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(C#N)c1F)C[C@H](C)O2 ZINC000430278188 429671748 /nfs/dbraw/zinc/67/17/48/429671748.db2.gz PGHIMKRTIIBWRL-QWQRMKEZSA-N 1 2 318.392 2.856 20 30 DFEDLO C=CCC[C@@H](c1ccco1)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367604429 429682445 /nfs/dbraw/zinc/68/24/45/429682445.db2.gz BNROPLURDKOEOT-GOEBONIOSA-N 1 2 316.405 2.972 20 30 DFEDLO C=CCC[C@@H](c1ccco1)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367604429 429682449 /nfs/dbraw/zinc/68/24/49/429682449.db2.gz BNROPLURDKOEOT-GOEBONIOSA-N 1 2 316.405 2.972 20 30 DFEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000459516979 429699265 /nfs/dbraw/zinc/69/92/65/429699265.db2.gz FBNFSFKOBVATAZ-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000459516979 429699272 /nfs/dbraw/zinc/69/92/72/429699272.db2.gz FBNFSFKOBVATAZ-JKSUJKDBSA-N 1 2 315.373 2.856 20 30 DFEDLO COc1ccc(F)c(N2CC[NH+](CC3(C#N)CCC3)CC2)c1 ZINC000450841007 429712265 /nfs/dbraw/zinc/71/22/65/429712265.db2.gz KACPOMODIKMBMX-UHFFFAOYSA-N 1 2 303.381 2.650 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000472325963 429714799 /nfs/dbraw/zinc/71/47/99/429714799.db2.gz ZEEZRCPNAMXQEW-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000472325963 429714802 /nfs/dbraw/zinc/71/48/02/429714802.db2.gz ZEEZRCPNAMXQEW-SJORKVTESA-N 1 2 317.408 2.919 20 30 DFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 ZINC000527127616 429726093 /nfs/dbraw/zinc/72/60/93/429726093.db2.gz RFSKVRNLZSIJMU-ZDUSSCGKSA-N 1 2 324.384 2.555 20 30 DFEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127762 429726117 /nfs/dbraw/zinc/72/61/17/429726117.db2.gz KUJQSABQEDHPIL-CHWSQXEVSA-N 1 2 315.392 2.696 20 30 DFEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127762 429726119 /nfs/dbraw/zinc/72/61/19/429726119.db2.gz KUJQSABQEDHPIL-CHWSQXEVSA-N 1 2 315.392 2.696 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc2ccccc2c1 ZINC000493365761 429746832 /nfs/dbraw/zinc/74/68/32/429746832.db2.gz IFMJXSNSPAPQTN-JQYPEGPJSA-N 1 2 307.397 2.813 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485869790 429747247 /nfs/dbraw/zinc/74/72/47/429747247.db2.gz MMBJLLWDHZSTKQ-SFHVURJKSA-N 1 2 319.832 2.819 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485869790 429747251 /nfs/dbraw/zinc/74/72/51/429747251.db2.gz MMBJLLWDHZSTKQ-SFHVURJKSA-N 1 2 319.832 2.819 20 30 DFEDLO COc1cc[nH+]cc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000431504584 429766828 /nfs/dbraw/zinc/76/68/28/429766828.db2.gz GEVOTTXHHQNNEG-UHFFFAOYSA-N 1 2 308.263 2.988 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CC[N@H+](C2CC2)C2COC2)cc1 ZINC000451129227 429772565 /nfs/dbraw/zinc/77/25/65/429772565.db2.gz YZHOXNBFQCNXQS-UHFFFAOYSA-N 1 2 311.303 2.800 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+](C2CC2)C2COC2)cc1 ZINC000451129227 429772571 /nfs/dbraw/zinc/77/25/71/429772571.db2.gz YZHOXNBFQCNXQS-UHFFFAOYSA-N 1 2 311.303 2.800 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)o1)c1ccccc1F ZINC000431744440 429780245 /nfs/dbraw/zinc/78/02/45/429780245.db2.gz MHDFODOIAVXTSM-HNNXBMFYSA-N 1 2 324.315 2.543 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000368449521 429851598 /nfs/dbraw/zinc/85/15/98/429851598.db2.gz AUHVQAJIPFKPRE-QGZVFWFLSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000368449521 429851601 /nfs/dbraw/zinc/85/16/01/429851601.db2.gz AUHVQAJIPFKPRE-QGZVFWFLSA-N 1 2 312.369 2.994 20 30 DFEDLO N#CC1(C[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494285122 429864254 /nfs/dbraw/zinc/86/42/54/429864254.db2.gz MIXYTLJYQOWJDI-UHFFFAOYSA-N 1 2 315.236 2.609 20 30 DFEDLO N#CC1(C[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494285122 429864255 /nfs/dbraw/zinc/86/42/55/429864255.db2.gz MIXYTLJYQOWJDI-UHFFFAOYSA-N 1 2 315.236 2.609 20 30 DFEDLO C#CC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000368641341 429882247 /nfs/dbraw/zinc/88/22/47/429882247.db2.gz FXFXDZDHZUPUQV-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO C#CC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000368641341 429882250 /nfs/dbraw/zinc/88/22/50/429882250.db2.gz FXFXDZDHZUPUQV-AWEZNQCLSA-N 1 2 321.424 2.754 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427937 429887624 /nfs/dbraw/zinc/88/76/24/429887624.db2.gz AVIBHPOOKMFFAR-RDJZCZTQSA-N 1 2 318.392 2.562 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427937 429887625 /nfs/dbraw/zinc/88/76/25/429887625.db2.gz AVIBHPOOKMFFAR-RDJZCZTQSA-N 1 2 318.392 2.562 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(C)ccc3s2)C1=O ZINC000528498509 429893557 /nfs/dbraw/zinc/89/35/57/429893557.db2.gz WNIFLQGPYASFMU-AWEZNQCLSA-N 1 2 315.442 2.823 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(C)ccc3s2)C1=O ZINC000528498509 429893559 /nfs/dbraw/zinc/89/35/59/429893559.db2.gz WNIFLQGPYASFMU-AWEZNQCLSA-N 1 2 315.442 2.823 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504100 429894747 /nfs/dbraw/zinc/89/47/47/429894747.db2.gz MNKSXYSXKUWLKK-KGLIPLIRSA-N 1 2 317.437 2.510 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CC2)[nH]1 ZINC000528504100 429894748 /nfs/dbraw/zinc/89/47/48/429894748.db2.gz MNKSXYSXKUWLKK-KGLIPLIRSA-N 1 2 317.437 2.510 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528521766 429896226 /nfs/dbraw/zinc/89/62/26/429896226.db2.gz RBJDFQSSJXXWCV-YPMHNXCESA-N 1 2 309.772 2.866 20 30 DFEDLO COc1cc(CC2C[NH+](C[C@H](C#N)CCC#N)C2)cc(OC)c1 ZINC000368836477 429897481 /nfs/dbraw/zinc/89/74/81/429897481.db2.gz WLZCLIUESOQAPY-AWEZNQCLSA-N 1 2 313.401 2.622 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000369305948 429923328 /nfs/dbraw/zinc/92/33/28/429923328.db2.gz NDFLIPAEUHKCDG-UHFFFAOYSA-N 1 2 311.345 2.636 20 30 DFEDLO C=CC[N@@H+](CCc1ncc(-c2ccccc2)o1)CC(=O)OCC ZINC000369325476 429923509 /nfs/dbraw/zinc/92/35/09/429923509.db2.gz UJICVPSWBUCQNK-UHFFFAOYSA-N 1 2 314.385 2.935 20 30 DFEDLO C=CC[N@H+](CCc1ncc(-c2ccccc2)o1)CC(=O)OCC ZINC000369325476 429923510 /nfs/dbraw/zinc/92/35/10/429923510.db2.gz UJICVPSWBUCQNK-UHFFFAOYSA-N 1 2 314.385 2.935 20 30 DFEDLO CC(C)(C#N)[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573087010 429924762 /nfs/dbraw/zinc/92/47/62/429924762.db2.gz XWWQQEYGTMKGPI-HNNXBMFYSA-N 1 2 317.408 2.846 20 30 DFEDLO CC(C)(C#N)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573087010 429924763 /nfs/dbraw/zinc/92/47/63/429924763.db2.gz XWWQQEYGTMKGPI-HNNXBMFYSA-N 1 2 317.408 2.846 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494415241 429871385 /nfs/dbraw/zinc/87/13/85/429871385.db2.gz HKCIZWZILMBHIW-SGSXCFNPSA-N 1 2 318.424 2.977 20 30 DFEDLO C=CCC1(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CCCCC1 ZINC000451687547 429871585 /nfs/dbraw/zinc/87/15/85/429871585.db2.gz CQAKLJXUSRRXSU-IAGOWNOFSA-N 1 2 320.477 2.835 20 30 DFEDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000639724613 429959317 /nfs/dbraw/zinc/95/93/17/429959317.db2.gz AZNSEVRKEPTENX-GHMZBOCLSA-N 1 2 313.357 2.854 20 30 DFEDLO N#Cc1cccc(C2(NC(=O)NCCCCn3cc[nH+]c3)CC2)c1 ZINC000558435633 429973436 /nfs/dbraw/zinc/97/34/36/429973436.db2.gz ZLWVUJMMSKRXQM-UHFFFAOYSA-N 1 2 323.400 2.523 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sc1SCC#N ZINC000573134501 429929669 /nfs/dbraw/zinc/92/96/69/429929669.db2.gz LLNFFEBYDCGGGJ-QMMMGPOBSA-N 1 2 321.431 2.608 20 30 DFEDLO Cc1nc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)sc1SCC#N ZINC000573134501 429929672 /nfs/dbraw/zinc/92/96/72/429929672.db2.gz LLNFFEBYDCGGGJ-QMMMGPOBSA-N 1 2 321.431 2.608 20 30 DFEDLO COc1ccc([C@H](CCC#N)[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000574393752 430038123 /nfs/dbraw/zinc/03/81/23/430038123.db2.gz MWLQJDKOLJCOFQ-INIZCTEOSA-N 1 2 313.357 2.522 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000573896732 429991898 /nfs/dbraw/zinc/99/18/98/429991898.db2.gz ZXGFIDNIGXPDMO-CYBMUJFWSA-N 1 2 318.179 2.706 20 30 DFEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 ZINC000532921672 430156915 /nfs/dbraw/zinc/15/69/15/430156915.db2.gz HKKPVIHPZWZFFB-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 ZINC000532921672 430156919 /nfs/dbraw/zinc/15/69/19/430156919.db2.gz HKKPVIHPZWZFFB-UHFFFAOYSA-N 1 2 308.385 2.802 20 30 DFEDLO Cn1c(C[NH2+]CC2(C#N)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000577851642 430117654 /nfs/dbraw/zinc/11/76/54/430117654.db2.gz YWIWGKVZSADIQP-UHFFFAOYSA-N 1 2 308.307 2.985 20 30 DFEDLO CC1CC(C#N)(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000531562234 430145649 /nfs/dbraw/zinc/14/56/49/430145649.db2.gz CPNFNXOUSZBRLZ-WKXXDYOBSA-N 1 2 321.371 2.624 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000563367415 430182545 /nfs/dbraw/zinc/18/25/45/430182545.db2.gz NSVFQDLKVYMGIK-HUUCEWRRSA-N 1 2 303.381 2.911 20 30 DFEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc2ccccc2c1 ZINC000563220816 430180339 /nfs/dbraw/zinc/18/03/39/430180339.db2.gz VWPBWEQGNCDLKR-KUHUBIRLSA-N 1 2 309.413 2.903 20 30 DFEDLO N#Cc1c2c(cnc1NCCc1[nH]c3ccc(F)cc3[nH+]1)CCC2 ZINC000564876933 430200578 /nfs/dbraw/zinc/20/05/78/430200578.db2.gz AOZFWKUIDTYHMQ-UHFFFAOYSA-N 1 2 321.359 3.112 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)cc1 ZINC000541948521 430196414 /nfs/dbraw/zinc/19/64/14/430196414.db2.gz KCRWQDKVBZXADD-ZDUSSCGKSA-N 1 2 313.401 2.842 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000565642226 430221220 /nfs/dbraw/zinc/22/12/20/430221220.db2.gz QPMHPSBSTXZUQP-ZDUSSCGKSA-N 1 2 308.385 2.949 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635396152 430266934 /nfs/dbraw/zinc/26/69/34/430266934.db2.gz VMBOQNGZBKJHMH-UHFFFAOYSA-N 1 2 313.401 2.738 20 30 DFEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000566548306 430267652 /nfs/dbraw/zinc/26/76/52/430267652.db2.gz HURFQDPESXZAIG-CYBMUJFWSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n[nH]1 ZINC000566548306 430267656 /nfs/dbraw/zinc/26/76/56/430267656.db2.gz HURFQDPESXZAIG-CYBMUJFWSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1ccc(SCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000566537931 430268362 /nfs/dbraw/zinc/26/83/62/430268362.db2.gz UMOIUHPIJQVEKS-KRWDZBQOSA-N 1 2 319.474 2.746 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000566665465 430271859 /nfs/dbraw/zinc/27/18/59/430271859.db2.gz ATFGHUIWJJIGAX-HZPDHXFCSA-N 1 2 324.428 2.754 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000566665465 430271861 /nfs/dbraw/zinc/27/18/61/430271861.db2.gz ATFGHUIWJJIGAX-HZPDHXFCSA-N 1 2 324.428 2.754 20 30 DFEDLO CC(C)c1nc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2o1 ZINC000567043254 430275912 /nfs/dbraw/zinc/27/59/12/430275912.db2.gz NRQOJAPOMQNDQW-CQSZACIVSA-N 1 2 316.405 2.569 20 30 DFEDLO CC(C)c1nc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2o1 ZINC000567043254 430275913 /nfs/dbraw/zinc/27/59/13/430275913.db2.gz NRQOJAPOMQNDQW-CQSZACIVSA-N 1 2 316.405 2.569 20 30 DFEDLO C=CCCCN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582190628 430276317 /nfs/dbraw/zinc/27/63/17/430276317.db2.gz YVUNXTJEBBYLHR-LLVKDONJSA-N 1 2 303.328 2.881 20 30 DFEDLO N#CCC[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000567700232 430286304 /nfs/dbraw/zinc/28/63/04/430286304.db2.gz HVIUDVRANPLUKX-LBPRGKRZSA-N 1 2 312.200 2.992 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000567707096 430286988 /nfs/dbraw/zinc/28/69/88/430286988.db2.gz JMLHNETZOQBYIA-FUHWJXTLSA-N 1 2 320.396 2.623 20 30 DFEDLO C[C@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000568000958 430303051 /nfs/dbraw/zinc/30/30/51/430303051.db2.gz GQNQLWVYTHIPFH-DYVFJYSZSA-N 1 2 308.385 2.900 20 30 DFEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568632558 430378142 /nfs/dbraw/zinc/37/81/42/430378142.db2.gz STFQCGCWYKXPRA-NSHDSACASA-N 1 2 309.398 2.782 20 30 DFEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568632558 430378147 /nfs/dbraw/zinc/37/81/47/430378147.db2.gz STFQCGCWYKXPRA-NSHDSACASA-N 1 2 309.398 2.782 20 30 DFEDLO Cc1cc(C#N)cnc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000569480446 430459525 /nfs/dbraw/zinc/45/95/25/430459525.db2.gz UPJGFCVOQDWQRZ-UHFFFAOYSA-N 1 2 316.324 2.550 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000584181130 430467281 /nfs/dbraw/zinc/46/72/81/430467281.db2.gz PLIGNGPZISHOMV-GHMZBOCLSA-N 1 2 311.332 2.897 20 30 DFEDLO Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(C)c[nH+]1 ZINC000584188216 430467570 /nfs/dbraw/zinc/46/75/70/430467570.db2.gz ULNOKGKNAITKJQ-UHFFFAOYSA-N 1 2 309.344 2.801 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000569138549 430427046 /nfs/dbraw/zinc/42/70/46/430427046.db2.gz XMGVFDWFJUQEBF-NSHDSACASA-N 1 2 309.797 2.877 20 30 DFEDLO Cn1cc([C@H]2C[N@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000569789128 430484642 /nfs/dbraw/zinc/48/46/42/430484642.db2.gz QPMPRLXJDLKIMW-MRXNPFEDSA-N 1 2 302.422 2.658 20 30 DFEDLO Cn1cc([C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CCO2)cn1 ZINC000569789128 430484644 /nfs/dbraw/zinc/48/46/44/430484644.db2.gz QPMPRLXJDLKIMW-MRXNPFEDSA-N 1 2 302.422 2.658 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1nc(C#N)c(Cl)s1 ZINC000590572710 430486782 /nfs/dbraw/zinc/48/67/82/430486782.db2.gz OUCXMJCMOQMJET-UHFFFAOYSA-N 1 2 317.805 3.438 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000569825851 430490140 /nfs/dbraw/zinc/49/01/40/430490140.db2.gz WYNSBOVEABSOCF-HNNXBMFYSA-N 1 2 304.438 2.844 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000569825851 430490147 /nfs/dbraw/zinc/49/01/47/430490147.db2.gz WYNSBOVEABSOCF-HNNXBMFYSA-N 1 2 304.438 2.844 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000569845334 430491822 /nfs/dbraw/zinc/49/18/22/430491822.db2.gz HOTBWRBSIKQAOP-SMDDNHRTSA-N 1 2 322.206 2.516 20 30 DFEDLO N#Cc1ccc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nn1 ZINC000591974046 430492028 /nfs/dbraw/zinc/49/20/28/430492028.db2.gz YOKMUXHRGJBKAG-OLZOCXBDSA-N 1 2 318.384 3.363 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000569985696 430503952 /nfs/dbraw/zinc/50/39/52/430503952.db2.gz IWKXUEQOINFNSR-OLMNPRSZSA-N 1 2 322.412 2.887 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000569985696 430503956 /nfs/dbraw/zinc/50/39/56/430503956.db2.gz IWKXUEQOINFNSR-OLMNPRSZSA-N 1 2 322.412 2.887 20 30 DFEDLO C=CCC[C@@H](CO)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642271485 430508847 /nfs/dbraw/zinc/50/88/47/430508847.db2.gz VLLUQBXSLZMENS-NSHDSACASA-N 1 2 300.337 2.989 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639098464 430523115 /nfs/dbraw/zinc/52/31/15/430523115.db2.gz BKNNRQDXLRBARB-UHFFFAOYSA-N 1 2 312.417 2.779 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639098464 430523118 /nfs/dbraw/zinc/52/31/18/430523118.db2.gz BKNNRQDXLRBARB-UHFFFAOYSA-N 1 2 312.417 2.779 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000551801976 430564436 /nfs/dbraw/zinc/56/44/36/430564436.db2.gz HJMIKYKBDXFWHN-UHFFFAOYSA-N 1 2 317.352 2.582 20 30 DFEDLO Cc1cc(Nc2ccc(C#N)nn2)c[nH+]c1N1CCCC[C@H]1C ZINC000611540168 430568939 /nfs/dbraw/zinc/56/89/39/430568939.db2.gz PMBYJGXYILVGDE-CYBMUJFWSA-N 1 2 308.389 3.174 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000570736736 430573326 /nfs/dbraw/zinc/57/33/26/430573326.db2.gz MXRYXACPNNWJDP-ZJUUUORDSA-N 1 2 324.768 2.857 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571296339 430619052 /nfs/dbraw/zinc/61/90/52/430619052.db2.gz MDBLYMGREZBHCB-CQSZACIVSA-N 1 2 313.401 2.812 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571296339 430619056 /nfs/dbraw/zinc/61/90/56/430619056.db2.gz MDBLYMGREZBHCB-CQSZACIVSA-N 1 2 313.401 2.812 20 30 DFEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2ncc[nH]2)cc1OC ZINC000639366423 430621177 /nfs/dbraw/zinc/62/11/77/430621177.db2.gz KVDQZJIAWKSLLL-UHFFFAOYSA-N 1 2 307.781 2.926 20 30 DFEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000556811883 430693357 /nfs/dbraw/zinc/69/33/57/430693357.db2.gz KTPJIRRKVZDQTH-AWEZNQCLSA-N 1 2 310.463 2.831 20 30 DFEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000556811883 430693359 /nfs/dbraw/zinc/69/33/59/430693359.db2.gz KTPJIRRKVZDQTH-AWEZNQCLSA-N 1 2 310.463 2.831 20 30 DFEDLO Cn1cc(Br)c(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000572997663 430699217 /nfs/dbraw/zinc/69/92/17/430699217.db2.gz IECMJPWJUFIOFD-UHFFFAOYSA-N 1 2 311.227 2.698 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000644454284 430733348 /nfs/dbraw/zinc/73/33/48/430733348.db2.gz WDFGZLXOOQHCHO-MJBXVCDLSA-N 1 2 306.410 2.626 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534705 430751451 /nfs/dbraw/zinc/75/14/51/430751451.db2.gz DWTCQLOQBSWBBP-NSHDSACASA-N 1 2 301.312 2.835 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534705 430751456 /nfs/dbraw/zinc/75/14/56/430751456.db2.gz DWTCQLOQBSWBBP-NSHDSACASA-N 1 2 301.312 2.835 20 30 DFEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000661572602 430761945 /nfs/dbraw/zinc/76/19/45/430761945.db2.gz TVHNFNAKEJWRQJ-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C=CCCCCCNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000654666510 430773750 /nfs/dbraw/zinc/77/37/50/430773750.db2.gz JMYLPDNVHAVYAV-HNNXBMFYSA-N 1 2 304.438 2.833 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000644800869 430827982 /nfs/dbraw/zinc/82/79/82/430827982.db2.gz IBCLLAHWJZFBCS-AWEZNQCLSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000644800869 430827991 /nfs/dbraw/zinc/82/79/91/430827991.db2.gz IBCLLAHWJZFBCS-AWEZNQCLSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000644680870 430788692 /nfs/dbraw/zinc/78/86/92/430788692.db2.gz CAHFCCVYAXOZSB-CQSZACIVSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000644680870 430788696 /nfs/dbraw/zinc/78/86/96/430788696.db2.gz CAHFCCVYAXOZSB-CQSZACIVSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CCCOCC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000665497213 430949133 /nfs/dbraw/zinc/94/91/33/430949133.db2.gz ODESMNKLSQJKGK-UHFFFAOYSA-N 1 2 313.401 2.660 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000665944215 431072454 /nfs/dbraw/zinc/07/24/54/431072454.db2.gz IMXCKMBEMYCQIQ-IAGOWNOFSA-N 1 2 310.401 2.987 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])cc2C#N)CC1(C)C ZINC000295751301 279379979 /nfs/dbraw/zinc/37/99/79/279379979.db2.gz ASCJVJICUBYXDI-CQSZACIVSA-N 1 2 311.345 2.787 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653056281 431247044 /nfs/dbraw/zinc/24/70/44/431247044.db2.gz LNUFZEDJKJSBFI-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210531 431310908 /nfs/dbraw/zinc/31/09/08/431310908.db2.gz DXKLGALYBVVIGG-MCIONIFRSA-N 1 2 315.417 2.670 20 30 DFEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210531 431310913 /nfs/dbraw/zinc/31/09/13/431310913.db2.gz DXKLGALYBVVIGG-MCIONIFRSA-N 1 2 315.417 2.670 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000660294680 431366684 /nfs/dbraw/zinc/36/66/84/431366684.db2.gz AGIJGGANKXOZQJ-IYBDPMFKSA-N 1 2 310.401 2.769 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCCOc2ccc(F)cc2)nn1 ZINC000653491865 431399433 /nfs/dbraw/zinc/39/94/33/431399433.db2.gz MKVJUGJZXHGXOP-UHFFFAOYSA-N 1 2 318.396 2.894 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)nn1 ZINC000653491865 431399441 /nfs/dbraw/zinc/39/94/41/431399441.db2.gz MKVJUGJZXHGXOP-UHFFFAOYSA-N 1 2 318.396 2.894 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)nn1 ZINC000653547269 431428944 /nfs/dbraw/zinc/42/89/44/431428944.db2.gz FTBSFCXMLISMMY-SFHVURJKSA-N 1 2 312.417 2.818 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)nn1 ZINC000653547269 431428950 /nfs/dbraw/zinc/42/89/50/431428950.db2.gz FTBSFCXMLISMMY-SFHVURJKSA-N 1 2 312.417 2.818 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccc(C)nc2)CC2CC2)nn1 ZINC000653776037 431521797 /nfs/dbraw/zinc/52/17/97/431521797.db2.gz OWFXDEGBUDUNIT-UHFFFAOYSA-N 1 2 311.433 2.970 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccc(C)nc2)CC2CC2)nn1 ZINC000653776037 431521804 /nfs/dbraw/zinc/52/18/04/431521804.db2.gz OWFXDEGBUDUNIT-UHFFFAOYSA-N 1 2 311.433 2.970 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)ns1 ZINC000660538715 431482699 /nfs/dbraw/zinc/48/26/99/431482699.db2.gz PGFFZTCDJQDVQM-UHFFFAOYSA-N 1 2 308.403 2.815 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)ns1 ZINC000660538715 431482704 /nfs/dbraw/zinc/48/27/04/431482704.db2.gz PGFFZTCDJQDVQM-UHFFFAOYSA-N 1 2 308.403 2.815 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OC(F)F)nn1 ZINC000657295473 431654859 /nfs/dbraw/zinc/65/48/59/431654859.db2.gz PZIGWGVVCYWKGF-UHFFFAOYSA-N 1 2 308.332 2.745 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000660935942 431666648 /nfs/dbraw/zinc/66/66/48/431666648.db2.gz BLNPWSJSBUUAOV-KFWWJZLASA-N 1 2 300.406 2.653 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660966570 431681724 /nfs/dbraw/zinc/68/17/24/431681724.db2.gz FBRUHQGUKKAPEO-CABCVRRESA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660966570 431681729 /nfs/dbraw/zinc/68/17/29/431681729.db2.gz FBRUHQGUKKAPEO-CABCVRRESA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Cl)cc2OC)nn1 ZINC000657355531 431696772 /nfs/dbraw/zinc/69/67/72/431696772.db2.gz SRDSZZHHZPIGAK-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2)no1)[C@@H](C)COC ZINC000661242815 431793694 /nfs/dbraw/zinc/79/36/94/431793694.db2.gz GEHQBHLFFZXFJT-AWEZNQCLSA-N 1 2 301.390 2.683 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@@H](C)COC ZINC000661242815 431793699 /nfs/dbraw/zinc/79/36/99/431793699.db2.gz GEHQBHLFFZXFJT-AWEZNQCLSA-N 1 2 301.390 2.683 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661269104 431805320 /nfs/dbraw/zinc/80/53/20/431805320.db2.gz MVXCHQRNVCOCDR-UHFFFAOYSA-N 1 2 302.422 2.693 20 30 DFEDLO C=CCN(CC=C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654369922 431767957 /nfs/dbraw/zinc/76/79/57/431767957.db2.gz RNJJXZBRNDUTPH-LLVKDONJSA-N 1 2 301.312 2.657 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c(C#N)c1C ZINC000269485073 294037058 /nfs/dbraw/zinc/03/70/58/294037058.db2.gz XLRBHSRPPUQEAV-ZYHUDNBSSA-N 1 2 307.419 2.532 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c(C#N)c1C ZINC000269485073 294037061 /nfs/dbraw/zinc/03/70/61/294037061.db2.gz XLRBHSRPPUQEAV-ZYHUDNBSSA-N 1 2 307.419 2.532 20 30 DFEDLO N#Cc1cnc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)nc1 ZINC000563616759 302087929 /nfs/dbraw/zinc/08/79/29/302087929.db2.gz GSKZRKIMAZNZQB-ZDUSSCGKSA-N 1 2 312.398 2.647 20 30 DFEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)nc1 ZINC000563616759 302087932 /nfs/dbraw/zinc/08/79/32/302087932.db2.gz GSKZRKIMAZNZQB-ZDUSSCGKSA-N 1 2 312.398 2.647 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000565168955 302200620 /nfs/dbraw/zinc/20/06/20/302200620.db2.gz FSZRTSLYSVTNAT-HNNXBMFYSA-N 1 2 324.384 2.591 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000565168955 302200622 /nfs/dbraw/zinc/20/06/22/302200622.db2.gz FSZRTSLYSVTNAT-HNNXBMFYSA-N 1 2 324.384 2.591 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000567051588 302332125 /nfs/dbraw/zinc/33/21/25/302332125.db2.gz USFYMEXFJXRCNI-CJNGLKHVSA-N 1 2 308.385 2.537 20 30 DFEDLO N#Cc1cncnc1N[C@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000571280715 302611565 /nfs/dbraw/zinc/61/15/65/302611565.db2.gz OZVHGIJXDTVQII-JSGCOSHPSA-N 1 2 318.384 2.785 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000573892615 302728812 /nfs/dbraw/zinc/72/88/12/302728812.db2.gz PMMZDSUCEPTRAI-MRXNPFEDSA-N 1 2 323.400 2.774 20 30 DFEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000574354026 302754230 /nfs/dbraw/zinc/75/42/30/302754230.db2.gz LIUCCKCFIUIVLN-MRXNPFEDSA-N 1 2 323.400 2.584 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000370412548 303192110 /nfs/dbraw/zinc/19/21/10/303192110.db2.gz BTZGSGXUXHFVSL-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000370412548 303192112 /nfs/dbraw/zinc/19/21/12/303192112.db2.gz BTZGSGXUXHFVSL-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO COCCOc1ccc(C#N)cc1NCc1cn2ccccc2[nH+]1 ZINC000181916328 316078102 /nfs/dbraw/zinc/07/81/02/316078102.db2.gz OLMUXPLOXYRZDU-UHFFFAOYSA-N 1 2 322.368 2.843 20 30 DFEDLO C[S@](=O)Cc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000576008998 318098537 /nfs/dbraw/zinc/09/85/37/318098537.db2.gz NLRFVHUIBFOJMM-QHCPKHFHSA-N 1 2 324.409 2.697 20 30 DFEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000576077357 318102002 /nfs/dbraw/zinc/10/20/02/318102002.db2.gz KLESHUJVWRTLGB-ZDUSSCGKSA-N 1 2 317.190 2.821 20 30 DFEDLO N#Cc1cnn2c1NC[C@H](C[N@@H+]1CCCCc3ccccc31)C2 ZINC000579958492 318366377 /nfs/dbraw/zinc/36/63/77/318366377.db2.gz GSOSGORQCSUFLL-CQSZACIVSA-N 1 2 307.401 2.639 20 30 DFEDLO N#Cc1cnn2c1NC[C@H](C[N@H+]1CCCCc3ccccc31)C2 ZINC000579958492 318366379 /nfs/dbraw/zinc/36/63/79/318366379.db2.gz GSOSGORQCSUFLL-CQSZACIVSA-N 1 2 307.401 2.639 20 30 DFEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)CC1 ZINC000583263430 323823655 /nfs/dbraw/zinc/82/36/55/323823655.db2.gz UICCSTGCZDBJAP-AWEZNQCLSA-N 1 2 317.458 2.511 20 30 DFEDLO C#CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000164199904 332827001 /nfs/dbraw/zinc/82/70/01/332827001.db2.gz ATAGIUNOAKAMLV-UHFFFAOYSA-N 1 2 307.397 2.949 20 30 DFEDLO C=CCCOCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255691873 331789498 /nfs/dbraw/zinc/78/94/98/331789498.db2.gz IWOBYACKAOOQOT-TWGQIWQCSA-N 1 2 311.385 2.594 20 30 DFEDLO Cn1c[nH+]c2c1CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C2 ZINC000370879606 332276050 /nfs/dbraw/zinc/27/60/50/332276050.db2.gz VSHUJZJZFIHSIZ-HNNXBMFYSA-N 1 2 323.400 2.533 20 30 DFEDLO CCOc1cccc(/C=[NH+]/CC2(C(=O)N(C)C)CCCC2)c1O ZINC000113006307 332318469 /nfs/dbraw/zinc/31/84/69/332318469.db2.gz BZWOCRINNUPXPU-XDHOZWIPSA-N 1 2 318.417 2.858 20 30 DFEDLO COc1cc(F)c([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000114500752 332327900 /nfs/dbraw/zinc/32/79/00/332327900.db2.gz ZGWRYMZLRRGETG-NEPJUHHUSA-N 1 2 305.353 2.937 20 30 DFEDLO C#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000157578812 332529515 /nfs/dbraw/zinc/52/95/15/332529515.db2.gz ISGWNXAJODFYGL-QGZVFWFLSA-N 1 2 320.396 2.853 20 30 DFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC3CCCC3)cn2)n1 ZINC000151722915 332687924 /nfs/dbraw/zinc/68/79/24/332687924.db2.gz WSKUEFZZKFMRAF-UHFFFAOYSA-N 1 2 313.405 2.711 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(OC)cc2)cs1 ZINC000170641549 333037616 /nfs/dbraw/zinc/03/76/16/333037616.db2.gz IFHJIOVKDBNKPU-UHFFFAOYSA-N 1 2 305.403 2.941 20 30 DFEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000293818474 335117588 /nfs/dbraw/zinc/11/75/88/335117588.db2.gz FRCLJLMTTQDWJV-XIRDDKMYSA-N 1 2 305.418 2.814 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000188457137 333046643 /nfs/dbraw/zinc/04/66/43/333046643.db2.gz JCSWDZOHYVWMSC-ZDUSSCGKSA-N 1 2 323.183 2.650 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(CC#N)c1)C2 ZINC000172003346 333057603 /nfs/dbraw/zinc/05/76/03/333057603.db2.gz OQIDICMPEIRKPD-UHFFFAOYSA-N 1 2 322.412 2.808 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C/c2cc(OCC)ccc2O)CC1 ZINC000022769767 335119796 /nfs/dbraw/zinc/11/97/96/335119796.db2.gz URXZBTJCPUGDDD-LDADJPATSA-N 1 2 320.389 2.831 20 30 DFEDLO C[C@H](O[NH+]=C(N)c1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000174100665 333082140 /nfs/dbraw/zinc/08/21/40/333082140.db2.gz GCBPIRDVKZARJQ-QMMMGPOBSA-N 1 2 306.753 2.999 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174692351 333089307 /nfs/dbraw/zinc/08/93/07/333089307.db2.gz OHNZYDHIYDDJOW-CQSZACIVSA-N 1 2 317.408 2.971 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174692351 333089310 /nfs/dbraw/zinc/08/93/10/333089310.db2.gz OHNZYDHIYDDJOW-CQSZACIVSA-N 1 2 317.408 2.971 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180546991 333162969 /nfs/dbraw/zinc/16/29/69/333162969.db2.gz VWRXPZJZBNWBSS-UHFFFAOYSA-N 1 2 308.385 2.601 20 30 DFEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182168448 333176612 /nfs/dbraw/zinc/17/66/12/333176612.db2.gz LOPBVHATFWLCMI-OAHLLOKOSA-N 1 2 321.783 2.820 20 30 DFEDLO C#CCCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000294428417 335122800 /nfs/dbraw/zinc/12/28/00/335122800.db2.gz BRJUXMKOKAYNCI-INIZCTEOSA-N 1 2 323.396 2.832 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000294493639 335123366 /nfs/dbraw/zinc/12/33/66/335123366.db2.gz JXLJQYCCGOANHH-AWEZNQCLSA-N 1 2 317.433 2.730 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000491801083 333213069 /nfs/dbraw/zinc/21/30/69/333213069.db2.gz BVWIBKANKUZLLS-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000491801083 333213071 /nfs/dbraw/zinc/21/30/71/333213071.db2.gz BVWIBKANKUZLLS-LLVKDONJSA-N 1 2 309.207 2.650 20 30 DFEDLO CCOC(=O)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000567790242 333224713 /nfs/dbraw/zinc/22/47/13/333224713.db2.gz UGFUWXNYSWZMSM-UHFFFAOYSA-N 1 2 307.419 2.836 20 30 DFEDLO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)c(C)c1 ZINC000190489151 333271437 /nfs/dbraw/zinc/27/14/37/333271437.db2.gz LGHKEOCTZXPXTN-QGZVFWFLSA-N 1 2 311.429 2.953 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1OC ZINC000294800659 335127629 /nfs/dbraw/zinc/12/76/29/335127629.db2.gz MVPKPAZXOOXQCV-UHFFFAOYSA-N 1 2 314.389 2.545 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000497995108 333318796 /nfs/dbraw/zinc/31/87/96/333318796.db2.gz WFIRWNVMQROTKE-CABCVRRESA-N 1 2 301.434 2.908 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000497995108 333318798 /nfs/dbraw/zinc/31/87/98/333318798.db2.gz WFIRWNVMQROTKE-CABCVRRESA-N 1 2 301.434 2.908 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C#N)CCCCC1)C2 ZINC000364559771 333324976 /nfs/dbraw/zinc/32/49/76/333324976.db2.gz DFSKILDCSRPSTD-CYBMUJFWSA-N 1 2 314.433 2.981 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C#N)CCCCC1)CC2 ZINC000364559771 333324978 /nfs/dbraw/zinc/32/49/78/333324978.db2.gz DFSKILDCSRPSTD-CYBMUJFWSA-N 1 2 314.433 2.981 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111376493 333328981 /nfs/dbraw/zinc/32/89/81/333328981.db2.gz SOFOGOISXIEKCM-CHWSQXEVSA-N 1 2 307.463 2.945 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000367693691 333329799 /nfs/dbraw/zinc/32/97/99/333329799.db2.gz KJSSJUXAFQLUBN-HNNXBMFYSA-N 1 2 320.396 2.605 20 30 DFEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000185454274 335134820 /nfs/dbraw/zinc/13/48/20/335134820.db2.gz AEARXFTZMFLERX-UHFFFAOYSA-N 1 2 314.429 2.533 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000365166244 333355996 /nfs/dbraw/zinc/35/59/96/333355996.db2.gz XTLTYTLUPPSGDD-ROUUACIJSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000365166244 333355997 /nfs/dbraw/zinc/35/59/97/333355997.db2.gz XTLTYTLUPPSGDD-ROUUACIJSA-N 1 2 315.413 2.821 20 30 DFEDLO C#Cc1cccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000365405481 333405593 /nfs/dbraw/zinc/40/55/93/333405593.db2.gz LCSQYHDCKKZZFL-UHFFFAOYSA-N 1 2 308.385 2.865 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1=O ZINC000295823613 335139751 /nfs/dbraw/zinc/13/97/51/335139751.db2.gz XZEMWYUFCRAERV-OAHLLOKOSA-N 1 2 308.784 2.624 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1=O ZINC000295823613 335139753 /nfs/dbraw/zinc/13/97/53/335139753.db2.gz XZEMWYUFCRAERV-OAHLLOKOSA-N 1 2 308.784 2.624 20 30 DFEDLO C=C(Br)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296820490 335146607 /nfs/dbraw/zinc/14/66/07/335146607.db2.gz RSSKKMNGYRJCKL-UHFFFAOYSA-N 1 2 309.207 2.659 20 30 DFEDLO C=C(Br)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296820490 335146608 /nfs/dbraw/zinc/14/66/08/335146608.db2.gz RSSKKMNGYRJCKL-UHFFFAOYSA-N 1 2 309.207 2.659 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)OCC ZINC000339516730 333527648 /nfs/dbraw/zinc/52/76/48/333527648.db2.gz IVRSLICDBVSVFA-JKSUJKDBSA-N 1 2 319.449 2.573 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000563368553 333597780 /nfs/dbraw/zinc/59/77/80/333597780.db2.gz XHUFYZJXNYCNID-CQSZACIVSA-N 1 2 313.357 2.910 20 30 DFEDLO Cc1ccc(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s2)o1 ZINC000521442445 333651426 /nfs/dbraw/zinc/65/14/26/333651426.db2.gz FELDYIQSKMGAKA-MRXNPFEDSA-N 1 2 317.414 2.890 20 30 DFEDLO CC[C@@H]([NH2+]CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000411442587 333673193 /nfs/dbraw/zinc/67/31/93/333673193.db2.gz ADFSHUTWKUAVRW-MRXNPFEDSA-N 1 2 315.417 2.642 20 30 DFEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411493600 333684203 /nfs/dbraw/zinc/68/42/03/333684203.db2.gz FPLXVFOZPAEOKC-HNNXBMFYSA-N 1 2 301.365 2.557 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000185882738 335154648 /nfs/dbraw/zinc/15/46/48/335154648.db2.gz SZLNCRFOJOMHKG-UHFFFAOYSA-N 1 2 302.393 2.519 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442827520 335157468 /nfs/dbraw/zinc/15/74/68/335157468.db2.gz QBBRJNNMCKCCIR-MSOLQXFVSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000413124234 333833453 /nfs/dbraw/zinc/83/34/53/333833453.db2.gz FJHMQVKBBCAXGO-NVXWUHKLSA-N 1 2 312.417 2.758 20 30 DFEDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000270370582 334012479 /nfs/dbraw/zinc/01/24/79/334012479.db2.gz UDLZNCUFPDCWCC-UHFFFAOYSA-N 1 2 301.415 2.893 20 30 DFEDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000270370582 334012481 /nfs/dbraw/zinc/01/24/81/334012481.db2.gz UDLZNCUFPDCWCC-UHFFFAOYSA-N 1 2 301.415 2.893 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(CC#N)cc1)C2 ZINC000270392370 334012723 /nfs/dbraw/zinc/01/27/23/334012723.db2.gz CIZZNSWKYXJCKL-UHFFFAOYSA-N 1 2 322.412 2.808 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271789165 334027033 /nfs/dbraw/zinc/02/70/33/334027033.db2.gz QFGLLOGQUTYUMC-VXGBXAGGSA-N 1 2 309.360 2.624 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000271925674 334028822 /nfs/dbraw/zinc/02/88/22/334028822.db2.gz COGFQIZDHXBKTD-UHFFFAOYSA-N 1 2 320.396 2.985 20 30 DFEDLO CC1(C#N)CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000272599250 334037820 /nfs/dbraw/zinc/03/78/20/334037820.db2.gz QQFKOVHJQOZTHE-MRXNPFEDSA-N 1 2 315.392 2.947 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C)(C#N)CC1 ZINC000272616364 334038146 /nfs/dbraw/zinc/03/81/46/334038146.db2.gz TYRICSYMMNDEGJ-LLVKDONJSA-N 1 2 306.797 2.688 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272631915 334038322 /nfs/dbraw/zinc/03/83/22/334038322.db2.gz WKAFEMWTBMRUDD-NSHDSACASA-N 1 2 307.344 2.917 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000272649215 334038585 /nfs/dbraw/zinc/03/85/85/334038585.db2.gz YYGWLBDUEPBQPS-UHFFFAOYSA-N 1 2 315.402 2.977 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCCNc1cccc[nH+]1 ZINC000273381642 334045993 /nfs/dbraw/zinc/04/59/93/334045993.db2.gz GAMNVEGXMNSDMB-HNNXBMFYSA-N 1 2 320.437 2.971 20 30 DFEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2cn3c(n2)SCC3)c1 ZINC000274310668 334059589 /nfs/dbraw/zinc/05/95/89/334059589.db2.gz FVYYGKHOBJYCPM-LICLKQGHSA-N 1 2 317.414 2.755 20 30 DFEDLO CCOc1cccc(/C=[NH+]/CCc2cn3c(n2)SCC3)c1O ZINC000274313487 334059605 /nfs/dbraw/zinc/05/96/05/334059605.db2.gz GMXYSWNSWIEROL-LICLKQGHSA-N 1 2 317.414 2.755 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275561825 334071905 /nfs/dbraw/zinc/07/19/05/334071905.db2.gz DVMFHBJLBXHFGK-MRXNPFEDSA-N 1 2 318.465 2.870 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275561825 334071906 /nfs/dbraw/zinc/07/19/06/334071906.db2.gz DVMFHBJLBXHFGK-MRXNPFEDSA-N 1 2 318.465 2.870 20 30 DFEDLO Cc1ncsc1CCO[NH+]=C(N)COc1ccccc1F ZINC000275531889 334071966 /nfs/dbraw/zinc/07/19/66/334071966.db2.gz QOHFPFQLHVHUBF-UHFFFAOYSA-N 1 2 309.366 2.501 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275561824 334072013 /nfs/dbraw/zinc/07/20/13/334072013.db2.gz DVMFHBJLBXHFGK-INIZCTEOSA-N 1 2 318.465 2.870 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275561824 334072015 /nfs/dbraw/zinc/07/20/15/334072015.db2.gz DVMFHBJLBXHFGK-INIZCTEOSA-N 1 2 318.465 2.870 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414531 334077753 /nfs/dbraw/zinc/07/77/53/334077753.db2.gz WIOJKHPKCXZLRO-MLGOLLRUSA-N 1 2 321.371 2.547 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000276414531 334077754 /nfs/dbraw/zinc/07/77/54/334077754.db2.gz WIOJKHPKCXZLRO-MLGOLLRUSA-N 1 2 321.371 2.547 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277901632 334091727 /nfs/dbraw/zinc/09/17/27/334091727.db2.gz LVZOKRMJEYOGNF-INIZCTEOSA-N 1 2 310.401 2.886 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000280357401 334116931 /nfs/dbraw/zinc/11/69/31/334116931.db2.gz UEDNUTLBEGCZHJ-UHFFFAOYSA-N 1 2 322.412 2.951 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2Br)C1=O ZINC000281404657 334126069 /nfs/dbraw/zinc/12/60/69/334126069.db2.gz XUOCEVSYZKDEHY-CQSZACIVSA-N 1 2 323.234 2.668 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2Br)C1=O ZINC000281404657 334126070 /nfs/dbraw/zinc/12/60/70/334126070.db2.gz XUOCEVSYZKDEHY-CQSZACIVSA-N 1 2 323.234 2.668 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(I)c1 ZINC000284295218 334142928 /nfs/dbraw/zinc/14/29/28/334142928.db2.gz IKVGUGAGCIJMOF-JTQLQIEISA-N 1 2 314.170 2.883 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(I)c1 ZINC000284295218 334142929 /nfs/dbraw/zinc/14/29/29/334142929.db2.gz IKVGUGAGCIJMOF-JTQLQIEISA-N 1 2 314.170 2.883 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCC2(O)CCOCC2)c(O)c1 ZINC000285222287 334146415 /nfs/dbraw/zinc/14/64/15/334146415.db2.gz FNRJGNFXEWSICB-QGOAFFKASA-N 1 2 307.390 2.532 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000285259418 334146671 /nfs/dbraw/zinc/14/66/71/334146671.db2.gz SDDAXCPYSPWJPP-QGZVFWFLSA-N 1 2 300.406 2.628 20 30 DFEDLO COC(=O)C(C)(C)CC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000285463806 334148088 /nfs/dbraw/zinc/14/80/88/334148088.db2.gz QXIDUEUTGHRZRU-WOJGMQOQSA-N 1 2 300.358 2.949 20 30 DFEDLO N#CCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000291828792 334182244 /nfs/dbraw/zinc/18/22/44/334182244.db2.gz DPAKEJSWLKMUFW-AWEZNQCLSA-N 1 2 300.406 2.619 20 30 DFEDLO N#C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000292100777 334184623 /nfs/dbraw/zinc/18/46/23/334184623.db2.gz HWRKUMHAOHHUCP-FGTMMUONSA-N 1 2 300.402 2.769 20 30 DFEDLO N#C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000292100777 334184624 /nfs/dbraw/zinc/18/46/24/334184624.db2.gz HWRKUMHAOHHUCP-FGTMMUONSA-N 1 2 300.402 2.769 20 30 DFEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCc1ccccc1Cl ZINC000292256367 334186037 /nfs/dbraw/zinc/18/60/37/334186037.db2.gz RDQVWLPUFKPMQU-UHFFFAOYSA-N 1 2 305.809 2.748 20 30 DFEDLO C=CC[N@H+](CCC#N)CCC(=O)NCc1ccccc1Cl ZINC000292256367 334186038 /nfs/dbraw/zinc/18/60/38/334186038.db2.gz RDQVWLPUFKPMQU-UHFFFAOYSA-N 1 2 305.809 2.748 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000292757635 334191841 /nfs/dbraw/zinc/19/18/41/334191841.db2.gz JDQGXHWCRPTVQW-UHFFFAOYSA-N 1 2 320.400 2.760 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000292757635 334191843 /nfs/dbraw/zinc/19/18/43/334191843.db2.gz JDQGXHWCRPTVQW-UHFFFAOYSA-N 1 2 320.400 2.760 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000293334675 334197435 /nfs/dbraw/zinc/19/74/35/334197435.db2.gz KSKMLZDXGORSMJ-UHFFFAOYSA-N 1 2 309.369 2.821 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000298061991 334245982 /nfs/dbraw/zinc/24/59/82/334245982.db2.gz IWHPSJYAJKUIIN-AWEZNQCLSA-N 1 2 303.381 2.574 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000298061991 334245984 /nfs/dbraw/zinc/24/59/84/334245984.db2.gz IWHPSJYAJKUIIN-AWEZNQCLSA-N 1 2 303.381 2.574 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000298687875 334250729 /nfs/dbraw/zinc/25/07/29/334250729.db2.gz ABEWSVMBBRIINR-DYVFJYSZSA-N 1 2 305.397 2.873 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000298687875 334250730 /nfs/dbraw/zinc/25/07/30/334250730.db2.gz ABEWSVMBBRIINR-DYVFJYSZSA-N 1 2 305.397 2.873 20 30 DFEDLO C=C(CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000340885462 334393139 /nfs/dbraw/zinc/39/31/39/334393139.db2.gz VGEDLMUEKCYPQL-QGZVFWFLSA-N 1 2 324.428 2.953 20 30 DFEDLO C=C(CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000340885462 334393140 /nfs/dbraw/zinc/39/31/40/334393140.db2.gz VGEDLMUEKCYPQL-QGZVFWFLSA-N 1 2 324.428 2.953 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000340945987 334395810 /nfs/dbraw/zinc/39/58/10/334395810.db2.gz YUEQOYCSXLHTNA-AWEZNQCLSA-N 1 2 317.437 2.570 20 30 DFEDLO CC(C)(CCC#N)CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000340945987 334395811 /nfs/dbraw/zinc/39/58/11/334395811.db2.gz YUEQOYCSXLHTNA-AWEZNQCLSA-N 1 2 317.437 2.570 20 30 DFEDLO Cc1[nH]nc2ncc(CNc3[nH+]cccc3OCCCC#N)cc12 ZINC000341955149 334497389 /nfs/dbraw/zinc/49/73/89/334497389.db2.gz VJFHXUPEAQYTJF-UHFFFAOYSA-N 1 2 322.372 2.956 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(CC#N)c3)cn2c1 ZINC000342164050 334518528 /nfs/dbraw/zinc/51/85/28/334518528.db2.gz WYWRTUSPADUPNO-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccc(CC#N)cc1 ZINC000342260591 334528113 /nfs/dbraw/zinc/52/81/13/334528113.db2.gz VIMHDLQQHNUBJN-NRFANRHFSA-N 1 2 301.415 2.979 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000342828384 334576846 /nfs/dbraw/zinc/57/68/46/334576846.db2.gz CUUOJEDRIOBKFP-UHFFFAOYSA-N 1 2 305.422 2.810 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342981520 334593323 /nfs/dbraw/zinc/59/33/23/334593323.db2.gz SJTLBLZYULHROL-ZBFHGGJFSA-N 1 2 303.406 2.989 20 30 DFEDLO C#CC[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000366800051 334602837 /nfs/dbraw/zinc/60/28/37/334602837.db2.gz KOQZSCSDMSYRIF-IRXDYDNUSA-N 1 2 322.412 2.824 20 30 DFEDLO CC#CCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000443600688 338456303 /nfs/dbraw/zinc/45/63/03/338456303.db2.gz GIRHBNSWOWMNJQ-AWEZNQCLSA-N 1 2 300.406 2.914 20 30 DFEDLO N#CC1(CN2CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC000343238869 334723495 /nfs/dbraw/zinc/72/34/95/334723495.db2.gz ORNAZZDROYCQMC-UHFFFAOYSA-N 1 2 319.836 2.640 20 30 DFEDLO Cc1nc(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000328761172 334752391 /nfs/dbraw/zinc/75/23/91/334752391.db2.gz XTYJIKGPGGZGHA-GFCCVEGCSA-N 1 2 317.418 2.760 20 30 DFEDLO Cc1cnc([C@H](C)NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000328857185 334760863 /nfs/dbraw/zinc/76/08/63/334760863.db2.gz KLTWEJJDFDCZFK-RYUDHWBXSA-N 1 2 319.434 2.650 20 30 DFEDLO C[C@@H]1C[C@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1=O ZINC000328997072 334771830 /nfs/dbraw/zinc/77/18/30/334771830.db2.gz UREVCYJHDDEFQO-NXEZZACHSA-N 1 2 317.311 2.907 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)[C@H]1C ZINC000330395767 334777592 /nfs/dbraw/zinc/77/75/92/334777592.db2.gz FOTMVTWPDHYIAC-IPYPFGDCSA-N 1 2 304.438 2.976 20 30 DFEDLO CCc1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000330611037 334792094 /nfs/dbraw/zinc/79/20/94/334792094.db2.gz VGHAAHMSAGICRQ-CQSZACIVSA-N 1 2 305.422 2.604 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)C[C@@H](C)C#N)C1=O ZINC000343910627 335201559 /nfs/dbraw/zinc/20/15/59/335201559.db2.gz DKZHTNBYPNYXJA-LRDDRELGSA-N 1 2 303.381 2.721 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)C[C@@H](C)C#N)C1=O ZINC000343910627 335201560 /nfs/dbraw/zinc/20/15/60/335201560.db2.gz DKZHTNBYPNYXJA-LRDDRELGSA-N 1 2 303.381 2.721 20 30 DFEDLO CC(C)[C@@H](C#N)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000344294693 335237557 /nfs/dbraw/zinc/23/75/57/335237557.db2.gz TXXUSMGXQZEPET-OAHLLOKOSA-N 1 2 310.401 2.968 20 30 DFEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345147707 335301382 /nfs/dbraw/zinc/30/13/82/335301382.db2.gz WIJWESFUWBDSRB-RHSMWYFYSA-N 1 2 323.396 2.910 20 30 DFEDLO C=CC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000346963463 335454189 /nfs/dbraw/zinc/45/41/89/335454189.db2.gz BBDLYBFRRKVTJW-UHFFFAOYSA-N 1 2 314.429 2.557 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000350451962 335754618 /nfs/dbraw/zinc/75/46/18/335754618.db2.gz DKHVYKAKMLKHKP-MEBBXXQBSA-N 1 2 319.771 2.842 20 30 DFEDLO CN1C(=O)C[C@H]([NH2+]CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519517691 335871035 /nfs/dbraw/zinc/87/10/35/335871035.db2.gz OWPGDPOPZSTHAP-DZGCQCFKSA-N 1 2 321.783 2.644 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000329575777 335996606 /nfs/dbraw/zinc/99/66/06/335996606.db2.gz JXTTYFSDQPSSAT-COLVAYQJSA-N 1 2 321.783 2.866 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCSC2)CCO1 ZINC000329602287 336003087 /nfs/dbraw/zinc/00/30/87/336003087.db2.gz XYSPTFQAFFXEKC-SCRDCRAPSA-N 1 2 309.435 2.740 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCCS1 ZINC000329613003 336010112 /nfs/dbraw/zinc/01/01/12/336010112.db2.gz CPGIWCQBRAVPID-CQSZACIVSA-N 1 2 322.478 2.551 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000351772910 336068275 /nfs/dbraw/zinc/06/82/75/336068275.db2.gz AOXVSSHHSKFVNA-PXAZEXFGSA-N 1 2 302.422 2.551 20 30 DFEDLO Cc1ccc2c(c1)CC[C@@H]2[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329745360 336076604 /nfs/dbraw/zinc/07/66/04/336076604.db2.gz YJFMPPUOGKWLES-ZFWWWQNUSA-N 1 2 310.401 2.767 20 30 DFEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2)C[C@H]1n1cc[nH+]c1 ZINC000329758426 336078421 /nfs/dbraw/zinc/07/84/21/336078421.db2.gz NOBMMIJVAPFDNM-QLFBSQMISA-N 1 2 322.478 2.966 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCCCS2)C[C@H]1n1cc[nH+]c1 ZINC000329758426 336078422 /nfs/dbraw/zinc/07/84/22/336078422.db2.gz NOBMMIJVAPFDNM-QLFBSQMISA-N 1 2 322.478 2.966 20 30 DFEDLO CCC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000329799082 336083190 /nfs/dbraw/zinc/08/31/90/336083190.db2.gz HBZYDUQYZBGWAQ-UHFFFAOYSA-N 1 2 320.437 2.710 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(=O)[nH]1)C2 ZINC000329968283 336100922 /nfs/dbraw/zinc/10/09/22/336100922.db2.gz WOZQKKSFUWERAB-VIFPVBQESA-N 1 2 320.418 2.662 20 30 DFEDLO Cc1ccsc1CC[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329974036 336101610 /nfs/dbraw/zinc/10/16/10/336101610.db2.gz YYDJZBUCZLWPCL-ZDUSSCGKSA-N 1 2 318.446 2.562 20 30 DFEDLO Cc1ccsc1CCNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329974036 336101611 /nfs/dbraw/zinc/10/16/11/336101611.db2.gz YYDJZBUCZLWPCL-ZDUSSCGKSA-N 1 2 318.446 2.562 20 30 DFEDLO CC(C)(C)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329990362 336103390 /nfs/dbraw/zinc/10/33/90/336103390.db2.gz IWFQETRDOMJEGU-ZIAGYGMSSA-N 1 2 304.438 2.870 20 30 DFEDLO O=C(NC[C@H](O)C1CCCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330009888 336105436 /nfs/dbraw/zinc/10/54/36/336105436.db2.gz HRHCQRCOGDCFAL-SJORKVTESA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(NC[C@H](O)C1CCCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330009888 336105438 /nfs/dbraw/zinc/10/54/38/336105438.db2.gz HRHCQRCOGDCFAL-SJORKVTESA-N 1 2 324.465 2.528 20 30 DFEDLO C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000330012732 336105853 /nfs/dbraw/zinc/10/58/53/336105853.db2.gz LAYVZJJVSQUAGG-DYVFJYSZSA-N 1 2 307.438 2.887 20 30 DFEDLO NC(=O)C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC000330041660 336108605 /nfs/dbraw/zinc/10/86/05/336108605.db2.gz BVCVVODJIOTCAZ-AWEZNQCLSA-N 1 2 323.437 2.682 20 30 DFEDLO NC(=O)C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC000330041660 336108607 /nfs/dbraw/zinc/10/86/07/336108607.db2.gz BVCVVODJIOTCAZ-AWEZNQCLSA-N 1 2 323.437 2.682 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121364 336115410 /nfs/dbraw/zinc/11/54/10/336115410.db2.gz JNXUOZMPDIDDHP-RVKKMQEKSA-N 1 2 318.417 2.933 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330121364 336115412 /nfs/dbraw/zinc/11/54/12/336115412.db2.gz JNXUOZMPDIDDHP-RVKKMQEKSA-N 1 2 318.417 2.933 20 30 DFEDLO [O-]C(N[C@@H]1CCc2c1cccc2F)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330126219 336115859 /nfs/dbraw/zinc/11/58/59/336115859.db2.gz BXBRDSSKNMDPJQ-IAQYHMDHSA-N 1 2 314.364 2.528 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000330190912 336122683 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C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330237988 336128412 /nfs/dbraw/zinc/12/84/12/336128412.db2.gz ASFVTNAUVKKBDP-BARDWOONSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330237988 336128413 /nfs/dbraw/zinc/12/84/13/336128413.db2.gz ASFVTNAUVKKBDP-BARDWOONSA-N 1 2 323.437 2.689 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000330263703 336131257 /nfs/dbraw/zinc/13/12/57/336131257.db2.gz WWYIRKRHILBHHP-CHWSQXEVSA-N 1 2 306.410 2.962 20 30 DFEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330267504 336131616 /nfs/dbraw/zinc/13/16/16/336131616.db2.gz IDFUFGRRQGBTEE-GJZGRUSLSA-N 1 2 305.422 2.924 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000330274944 336132511 /nfs/dbraw/zinc/13/25/11/336132511.db2.gz KVVWEGLLVGXVLH-ZNMIVQPWSA-N 1 2 320.437 2.769 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@H]21 ZINC000330278761 336132764 /nfs/dbraw/zinc/13/27/64/336132764.db2.gz QBQRUYKUNUDUJT-APIJFGDWSA-N 1 2 302.422 2.622 20 30 DFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@H]21 ZINC000330278761 336132766 /nfs/dbraw/zinc/13/27/66/336132766.db2.gz QBQRUYKUNUDUJT-APIJFGDWSA-N 1 2 302.422 2.622 20 30 DFEDLO CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330287158 336133598 /nfs/dbraw/zinc/13/35/98/336133598.db2.gz BBFSGPLZAXFHNU-KFWWJZLASA-N 1 2 305.422 2.996 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)C1 ZINC000330291381 336135823 /nfs/dbraw/zinc/13/58/23/336135823.db2.gz GLMSPSMQDCBOEM-VXGBXAGGSA-N 1 2 312.364 2.559 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000331659964 336143504 /nfs/dbraw/zinc/14/35/04/336143504.db2.gz SENCILIZPLXKLF-ILXRZTDVSA-N 1 2 315.421 2.832 20 30 DFEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000331896455 336152022 /nfs/dbraw/zinc/15/20/22/336152022.db2.gz WTBZRAWXMJTNTA-UHFFFAOYSA-N 1 2 311.389 2.620 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CCCCC2)CCO1 ZINC000330318700 336153831 /nfs/dbraw/zinc/15/38/31/336153831.db2.gz CPMOFQXAZBMZKH-HOCLYGCPSA-N 1 2 320.437 2.724 20 30 DFEDLO O=C(NCC1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330332748 336167035 /nfs/dbraw/zinc/16/70/35/336167035.db2.gz PFGRFMJZXLASPH-UHFFFAOYSA-N 1 2 302.422 2.723 20 30 DFEDLO N#CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000332622051 336176792 /nfs/dbraw/zinc/17/67/92/336176792.db2.gz XAIXVQWCEOTSAF-UHFFFAOYSA-N 1 2 310.300 2.752 20 30 DFEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000352037599 336191239 /nfs/dbraw/zinc/19/12/39/336191239.db2.gz XICPOHUOTJGCKD-UHFFFAOYSA-N 1 2 313.357 2.552 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1=O ZINC000333627849 336207438 /nfs/dbraw/zinc/20/74/38/336207438.db2.gz QPJUXFGJKJYGGJ-BMFZPTHFSA-N 1 2 315.392 2.911 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000333681518 336208063 /nfs/dbraw/zinc/20/80/63/336208063.db2.gz ZXVDIBMBPQDIRJ-CFVMTHIKSA-N 1 2 301.365 2.603 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C[C@@H](C)C#N ZINC000103469593 336241140 /nfs/dbraw/zinc/24/11/40/336241140.db2.gz XFHYTBYBIRXCHH-ZDUSSCGKSA-N 1 2 301.390 2.699 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C[C@@H](C)C#N ZINC000103469593 336241141 /nfs/dbraw/zinc/24/11/41/336241141.db2.gz XFHYTBYBIRXCHH-ZDUSSCGKSA-N 1 2 301.390 2.699 20 30 DFEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302164582 336351743 /nfs/dbraw/zinc/35/17/43/336351743.db2.gz ZNGNSNXLHJJKPQ-ZDUSSCGKSA-N 1 2 314.345 2.709 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)C(F)(F)F ZINC000352916372 336376931 /nfs/dbraw/zinc/37/69/31/336376931.db2.gz RORXBCYYIRKFKO-CYBMUJFWSA-N 1 2 305.344 2.765 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC1CC1 ZINC000352899327 336375310 /nfs/dbraw/zinc/37/53/10/336375310.db2.gz CJIHBJYFNUWVRK-AWEZNQCLSA-N 1 2 304.438 2.509 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC1CC1 ZINC000352899327 336375311 /nfs/dbraw/zinc/37/53/11/336375311.db2.gz CJIHBJYFNUWVRK-AWEZNQCLSA-N 1 2 304.438 2.509 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)C(F)(F)F ZINC000352916372 336376930 /nfs/dbraw/zinc/37/69/30/336376930.db2.gz RORXBCYYIRKFKO-CYBMUJFWSA-N 1 2 305.344 2.765 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NCC1CCC1)Cc1cnn(C(C)C)c1 ZINC000352946612 336378808 /nfs/dbraw/zinc/37/88/08/336378808.db2.gz JRGACFBLVUWGGE-UHFFFAOYSA-N 1 2 318.465 2.758 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NCC1CCC1)Cc1cnn(C(C)C)c1 ZINC000352946612 336378809 /nfs/dbraw/zinc/37/88/09/336378809.db2.gz JRGACFBLVUWGGE-UHFFFAOYSA-N 1 2 318.465 2.758 20 30 DFEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195312821 336456619 /nfs/dbraw/zinc/45/66/19/336456619.db2.gz NVFFTUNNLWZKLP-HNNXBMFYSA-N 1 2 317.458 2.819 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H](C(=O)OC)[C@@H](C)CC)cc(OC)c1O ZINC000355075489 336493996 /nfs/dbraw/zinc/49/39/96/336493996.db2.gz KDZTUKNBMGYXTB-LRDDRELGSA-N 1 2 321.417 2.807 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356002105 336531740 /nfs/dbraw/zinc/53/17/40/336531740.db2.gz CIRMOULFOXNCDN-ZIAGYGMSSA-N 1 2 319.449 2.593 20 30 DFEDLO C=CCCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000356479904 336551360 /nfs/dbraw/zinc/55/13/60/336551360.db2.gz NRUPKDHLWIAINF-UHFFFAOYSA-N 1 2 315.417 2.912 20 30 DFEDLO N#CC[C@@H](CC(=O)NC[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000356522361 336553115 /nfs/dbraw/zinc/55/31/15/336553115.db2.gz UVFGEPFECSMLEG-IRXDYDNUSA-N 1 2 322.412 2.964 20 30 DFEDLO CCC(CC)[C@H](C(=O)NCC(C)(C)CCC#N)[NH+]1CCOCC1 ZINC000360425703 336711288 /nfs/dbraw/zinc/71/12/88/336711288.db2.gz PRHQARYZYTUUQS-MRXNPFEDSA-N 1 2 323.481 2.570 20 30 DFEDLO C=C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000362377895 336794292 /nfs/dbraw/zinc/79/42/92/336794292.db2.gz AFENRYDSKUNLQA-BXUZGUMPSA-N 1 2 302.353 2.522 20 30 DFEDLO CCCN(CC#N)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369854710 336873126 /nfs/dbraw/zinc/87/31/26/336873126.db2.gz ZMZMNAYUKMMMGE-MRXNPFEDSA-N 1 2 322.412 2.875 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000370060603 336876842 /nfs/dbraw/zinc/87/68/42/336876842.db2.gz PSZIHXWQHMOEBR-MRXNPFEDSA-N 1 2 308.385 2.506 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCCC[C@H]2C(=O)OC)cc(OC)c1O ZINC000122283915 337000703 /nfs/dbraw/zinc/00/07/03/337000703.db2.gz OUQLQCVIRBWAQD-HNNXBMFYSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OC)cc(OC)c1O ZINC000122283915 337000704 /nfs/dbraw/zinc/00/07/04/337000704.db2.gz OUQLQCVIRBWAQD-HNNXBMFYSA-N 1 2 319.401 2.657 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000375386494 337009893 /nfs/dbraw/zinc/00/98/93/337009893.db2.gz IFCJJIGBUNGZGY-JLSDUUJJSA-N 1 2 311.429 2.756 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000375386494 337009894 /nfs/dbraw/zinc/00/98/94/337009894.db2.gz IFCJJIGBUNGZGY-JLSDUUJJSA-N 1 2 311.429 2.756 20 30 DFEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cscn3)CC2)CCC1 ZINC000375482058 337011895 /nfs/dbraw/zinc/01/18/95/337011895.db2.gz OSFPXDNMHVLBIN-UHFFFAOYSA-N 1 2 319.474 2.970 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000375609223 337014457 /nfs/dbraw/zinc/01/44/57/337014457.db2.gz XQVBFEKCXKUNBN-XYVMCAHJSA-N 1 2 314.429 2.624 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000375609223 337014458 /nfs/dbraw/zinc/01/44/58/337014458.db2.gz XQVBFEKCXKUNBN-XYVMCAHJSA-N 1 2 314.429 2.624 20 30 DFEDLO C#CCCOc1ccc(CN2CCn3c(C)c(C)[nH+]c3C2)cc1 ZINC000375851912 337021440 /nfs/dbraw/zinc/02/14/40/337021440.db2.gz VOSJIDIRJPOFHU-UHFFFAOYSA-N 1 2 309.413 2.918 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000376166265 337028769 /nfs/dbraw/zinc/02/87/69/337028769.db2.gz LDEZGAWXBGQMIZ-HNNXBMFYSA-N 1 2 316.380 2.866 20 30 DFEDLO C=C[C@@H](CC(=O)Nc1c[nH+]ccc1-n1ccnn1)c1ccccc1 ZINC000377443139 337052718 /nfs/dbraw/zinc/05/27/18/337052718.db2.gz RAQVHYBVWFJRTB-AWEZNQCLSA-N 1 2 319.368 2.961 20 30 DFEDLO C#Cc1ccccc1CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000377811903 337061797 /nfs/dbraw/zinc/06/17/97/337061797.db2.gz QOLRIQBYCPNDPF-UHFFFAOYSA-N 1 2 315.376 2.713 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000172309588 337091814 /nfs/dbraw/zinc/09/18/14/337091814.db2.gz ZKGFMFTXTSMTGK-ACJLOTCBSA-N 1 2 310.401 2.933 20 30 DFEDLO CC(C)[N@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000582466864 337093635 /nfs/dbraw/zinc/09/36/35/337093635.db2.gz GDWLSHPJVOTCIF-AWEZNQCLSA-N 1 2 308.447 2.818 20 30 DFEDLO CC(C)[N@@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000582466864 337093636 /nfs/dbraw/zinc/09/36/36/337093636.db2.gz GDWLSHPJVOTCIF-AWEZNQCLSA-N 1 2 308.447 2.818 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000582788651 337166208 /nfs/dbraw/zinc/16/62/08/337166208.db2.gz KHJSJBTUHIFCMB-FUHWJXTLSA-N 1 2 322.412 2.997 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181648089 337183525 /nfs/dbraw/zinc/18/35/25/337183525.db2.gz BMOMKEHJINKYEN-HZPDHXFCSA-N 1 2 323.387 2.928 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181648089 337183526 /nfs/dbraw/zinc/18/35/26/337183526.db2.gz BMOMKEHJINKYEN-HZPDHXFCSA-N 1 2 323.387 2.928 20 30 DFEDLO N#C[C@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCc2ccccc2C1 ZINC000183963855 337194147 /nfs/dbraw/zinc/19/41/47/337194147.db2.gz RSZBXGDPKRIZCO-IBGZPJMESA-N 1 2 316.364 2.515 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000185077072 337202835 /nfs/dbraw/zinc/20/28/35/337202835.db2.gz WCUXRPJWRVUGSV-MRXNPFEDSA-N 1 2 316.445 2.737 20 30 DFEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185900223 337252493 /nfs/dbraw/zinc/25/24/93/337252493.db2.gz CZDUMILPCNETTB-MRXNPFEDSA-N 1 2 324.346 2.787 20 30 DFEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185900223 337252494 /nfs/dbraw/zinc/25/24/94/337252494.db2.gz CZDUMILPCNETTB-MRXNPFEDSA-N 1 2 324.346 2.787 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381278 337278360 /nfs/dbraw/zinc/27/83/60/337278360.db2.gz NQBPZUJKWWNFCD-CQSZACIVSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381278 337278361 /nfs/dbraw/zinc/27/83/61/337278361.db2.gz NQBPZUJKWWNFCD-CQSZACIVSA-N 1 2 319.405 2.744 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(CC)cccc1CC ZINC000191123819 337294372 /nfs/dbraw/zinc/29/43/72/337294372.db2.gz KCMLHVHVLXCMTP-UHFFFAOYSA-N 1 2 304.434 2.884 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(CC)cccc1CC ZINC000191123819 337294373 /nfs/dbraw/zinc/29/43/73/337294373.db2.gz KCMLHVHVLXCMTP-UHFFFAOYSA-N 1 2 304.434 2.884 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000191128498 337294377 /nfs/dbraw/zinc/29/43/77/337294377.db2.gz PLOSTCPHCXNBKP-UHFFFAOYSA-N 1 2 305.353 2.819 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000191128498 337294378 /nfs/dbraw/zinc/29/43/78/337294378.db2.gz PLOSTCPHCXNBKP-UHFFFAOYSA-N 1 2 305.353 2.819 20 30 DFEDLO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000192104162 337303036 /nfs/dbraw/zinc/30/30/36/337303036.db2.gz DIVYUYGIMBWMKU-LJQANCHMSA-N 1 2 304.393 2.775 20 30 DFEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000192104162 337303037 /nfs/dbraw/zinc/30/30/37/337303037.db2.gz DIVYUYGIMBWMKU-LJQANCHMSA-N 1 2 304.393 2.775 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000127872353 337422857 /nfs/dbraw/zinc/42/28/57/337422857.db2.gz AOUCIVZGVSDBCO-QGZVFWFLSA-N 1 2 322.368 2.833 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419213817 337476386 /nfs/dbraw/zinc/47/63/86/337476386.db2.gz AHOAYBJHORSKKJ-YESZJQIVSA-N 1 2 300.402 2.751 20 30 DFEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H](CC)O1 ZINC000420949085 337514447 /nfs/dbraw/zinc/51/44/47/337514447.db2.gz OILFXJKFZSAWNG-ARFHVFGLSA-N 1 2 321.465 2.607 20 30 DFEDLO C=CCOCCCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000079454993 337621970 /nfs/dbraw/zinc/62/19/70/337621970.db2.gz XWLINQZGKIIWKR-UHFFFAOYSA-N 1 2 313.401 2.530 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cscc2C(F)(F)F)nn1 ZINC000424168553 337790867 /nfs/dbraw/zinc/79/08/67/337790867.db2.gz GGOCIHNVARZHAF-UHFFFAOYSA-N 1 2 302.325 2.834 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)nn1 ZINC000424296479 337817040 /nfs/dbraw/zinc/81/70/40/337817040.db2.gz ORPGRGIJCBBPDX-OAHLLOKOSA-N 1 2 316.430 2.799 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)nn1 ZINC000424299740 337817335 /nfs/dbraw/zinc/81/73/35/337817335.db2.gz WFTWIOHNIJQELS-ZDUSSCGKSA-N 1 2 300.410 2.627 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)nn1 ZINC000424300626 337817416 /nfs/dbraw/zinc/81/74/16/337817416.db2.gz YCPCMAGULGSNAZ-QGZVFWFLSA-N 1 2 316.380 2.853 20 30 DFEDLO COc1cc2[nH+]ccc(NC[C@H](C)C#N)c2cc1Br ZINC000515468573 337989726 /nfs/dbraw/zinc/98/97/26/337989726.db2.gz KFPWGKBVVMNJTG-SECBINFHSA-N 1 2 320.190 2.999 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000516057043 338003241 /nfs/dbraw/zinc/00/32/41/338003241.db2.gz QQBGERYYOVIPRZ-INIZCTEOSA-N 1 2 307.846 2.899 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000516057043 338003242 /nfs/dbraw/zinc/00/32/42/338003242.db2.gz QQBGERYYOVIPRZ-INIZCTEOSA-N 1 2 307.846 2.899 20 30 DFEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)C1CC1 ZINC000426527399 338034033 /nfs/dbraw/zinc/03/40/33/338034033.db2.gz WBCVAXOUWIDGOW-UHFFFAOYSA-N 1 2 316.832 2.682 20 30 DFEDLO CCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000428404623 338050325 /nfs/dbraw/zinc/05/03/25/338050325.db2.gz VUIVWZAMEASHOH-QGZVFWFLSA-N 1 2 324.428 2.928 20 30 DFEDLO C=CCC(C)(C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000429814692 338090523 /nfs/dbraw/zinc/09/05/23/338090523.db2.gz WRKSVLLCPJGGOR-UHFFFAOYSA-N 1 2 315.461 2.975 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431375031 338129500 /nfs/dbraw/zinc/12/95/00/338129500.db2.gz QJBQCOXIFOIQCJ-INIZCTEOSA-N 1 2 311.389 2.654 20 30 DFEDLO N#CCCn1cc(CNc2cccc[nH+]2)c(-c2ccncc2)n1 ZINC000432739212 338165260 /nfs/dbraw/zinc/16/52/60/338165260.db2.gz WWPDDEMJLRGFNM-UHFFFAOYSA-N 1 2 304.357 2.866 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433302973 338190555 /nfs/dbraw/zinc/19/05/55/338190555.db2.gz KDVWWMHGVUDURT-OAHLLOKOSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433302973 338190556 /nfs/dbraw/zinc/19/05/56/338190556.db2.gz KDVWWMHGVUDURT-OAHLLOKOSA-N 1 2 303.406 2.894 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(C)(C)C#N ZINC000433305802 338190817 /nfs/dbraw/zinc/19/08/17/338190817.db2.gz QGOJIEFHTDLILU-PGBRGIIUSA-N 1 2 317.477 2.941 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(C)(C)C#N ZINC000433305802 338190818 /nfs/dbraw/zinc/19/08/18/338190818.db2.gz QGOJIEFHTDLILU-PGBRGIIUSA-N 1 2 317.477 2.941 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000433314445 338191795 /nfs/dbraw/zinc/19/17/95/338191795.db2.gz ZPFCNYPXAIYCCE-OAHLLOKOSA-N 1 2 303.381 2.803 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000433314445 338191796 /nfs/dbraw/zinc/19/17/96/338191796.db2.gz ZPFCNYPXAIYCCE-OAHLLOKOSA-N 1 2 303.381 2.803 20 30 DFEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433314796 338191817 /nfs/dbraw/zinc/19/18/17/338191817.db2.gz WKFKYFAJTDLDHB-CQSZACIVSA-N 1 2 317.433 2.696 20 30 DFEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433314796 338191818 /nfs/dbraw/zinc/19/18/18/338191818.db2.gz WKFKYFAJTDLDHB-CQSZACIVSA-N 1 2 317.433 2.696 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435417183 338239609 /nfs/dbraw/zinc/23/96/09/338239609.db2.gz RJEWZCNVQOFNJX-ZDUSSCGKSA-N 1 2 302.422 2.683 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000437570588 338313807 /nfs/dbraw/zinc/31/38/07/338313807.db2.gz SGNBJMUVHCDIJU-MRXNPFEDSA-N 1 2 321.808 2.833 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000448604707 338346853 /nfs/dbraw/zinc/34/68/53/338346853.db2.gz NRMBRPIWXVNRQB-SJORKVTESA-N 1 2 302.418 2.610 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000448604707 338346854 /nfs/dbraw/zinc/34/68/54/338346854.db2.gz NRMBRPIWXVNRQB-SJORKVTESA-N 1 2 302.418 2.610 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440471069 338387985 /nfs/dbraw/zinc/38/79/85/338387985.db2.gz OZRUMPUGVMHFDT-HNNXBMFYSA-N 1 2 316.449 2.621 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440471069 338387986 /nfs/dbraw/zinc/38/79/86/338387986.db2.gz OZRUMPUGVMHFDT-HNNXBMFYSA-N 1 2 316.449 2.621 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000455526863 338897904 /nfs/dbraw/zinc/89/79/04/338897904.db2.gz UHLRJWQKELQCOU-OAHLLOKOSA-N 1 2 316.380 2.914 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000459474021 339031366 /nfs/dbraw/zinc/03/13/66/339031366.db2.gz YJVUADMXNQDSHI-MNOVXSKESA-N 1 2 316.386 2.623 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000459539705 339034760 /nfs/dbraw/zinc/03/47/60/339034760.db2.gz CNRKGWQUQPOASB-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO COC(=O)c1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000459539705 339034761 /nfs/dbraw/zinc/03/47/61/339034761.db2.gz CNRKGWQUQPOASB-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)OC ZINC000482435361 339631196 /nfs/dbraw/zinc/63/11/96/339631196.db2.gz GOZOPSRRUQVMNG-KSZLIROESA-N 1 2 317.429 2.732 20 30 DFEDLO C#CCN(C(=O)NC[C@H]1CCCn2cc[nH+]c21)C1CCCCC1 ZINC000490852807 339841902 /nfs/dbraw/zinc/84/19/02/339841902.db2.gz NXAWWNMZCQYJBQ-OAHLLOKOSA-N 1 2 314.433 2.738 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000491192793 339852780 /nfs/dbraw/zinc/85/27/80/339852780.db2.gz SCSSHXILWHHXRF-UHFFFAOYSA-N 1 2 310.401 2.508 20 30 DFEDLO C#C[C@H](NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000491298073 339857058 /nfs/dbraw/zinc/85/70/58/339857058.db2.gz TUHCBLGIDLEXCL-HOTGVXAUSA-N 1 2 310.401 2.798 20 30 DFEDLO C#C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000491569014 339867343 /nfs/dbraw/zinc/86/73/43/339867343.db2.gz TXXLECFHHHTJMS-QZTJIDSGSA-N 1 2 310.372 2.919 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491773101 339880311 /nfs/dbraw/zinc/88/03/11/339880311.db2.gz BQYVYNHYHSYAHW-CABCVRRESA-N 1 2 315.417 2.565 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491806731 339883172 /nfs/dbraw/zinc/88/31/72/339883172.db2.gz ASLDFIBKHGUEKM-AWEZNQCLSA-N 1 2 314.364 2.613 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763653 340732971 /nfs/dbraw/zinc/73/29/71/340732971.db2.gz VPCWZYLSDCHXQN-HNNXBMFYSA-N 1 2 307.401 2.733 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CC#N)CC2)c1 ZINC000541059366 340958118 /nfs/dbraw/zinc/95/81/18/340958118.db2.gz HIGHDBCHXFUHSA-UHFFFAOYSA-N 1 2 308.385 2.947 20 30 DFEDLO CC#CCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000541749451 340982551 /nfs/dbraw/zinc/98/25/51/340982551.db2.gz LBOBPAIMNORAJD-OAHLLOKOSA-N 1 2 315.417 2.615 20 30 DFEDLO N#CCC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000542882360 341025051 /nfs/dbraw/zinc/02/50/51/341025051.db2.gz ZVKZKWLZSXKLAY-HNNXBMFYSA-N 1 2 319.355 2.696 20 30 DFEDLO Cn1cc(CNc2cc(CC#N)cc[nH+]2)c(-c2cccnc2)n1 ZINC000545926923 341146621 /nfs/dbraw/zinc/14/66/21/341146621.db2.gz MQQBSEZXJXHOBX-UHFFFAOYSA-N 1 2 304.357 2.555 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccccc2N2CCOCC2)c1 ZINC000545928634 341146695 /nfs/dbraw/zinc/14/66/95/341146695.db2.gz JTPSXTMTTSTXND-UHFFFAOYSA-N 1 2 308.385 2.596 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000076546400 341209183 /nfs/dbraw/zinc/20/91/83/341209183.db2.gz ZAXJTZIDNUWCEV-CYBMUJFWSA-N 1 2 307.825 2.780 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000076546400 341209184 /nfs/dbraw/zinc/20/91/84/341209184.db2.gz ZAXJTZIDNUWCEV-CYBMUJFWSA-N 1 2 307.825 2.780 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)CC1CC1 ZINC000081043710 341278718 /nfs/dbraw/zinc/27/87/18/341278718.db2.gz OAHRIGYOZQZVJE-UHFFFAOYSA-N 1 2 311.429 2.808 20 30 DFEDLO N#CCC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)CC1CC1 ZINC000081043710 341278719 /nfs/dbraw/zinc/27/87/19/341278719.db2.gz OAHRIGYOZQZVJE-UHFFFAOYSA-N 1 2 311.429 2.808 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000245897747 341317564 /nfs/dbraw/zinc/31/75/64/341317564.db2.gz SUDXZEILKCQKTK-CHWSQXEVSA-N 1 2 319.405 2.512 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000245897747 341317565 /nfs/dbraw/zinc/31/75/65/341317565.db2.gz SUDXZEILKCQKTK-CHWSQXEVSA-N 1 2 319.405 2.512 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000249040422 341392625 /nfs/dbraw/zinc/39/26/25/341392625.db2.gz BXZOEEIGHOUXPE-HUUCEWRRSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000249040422 341392626 /nfs/dbraw/zinc/39/26/26/341392626.db2.gz BXZOEEIGHOUXPE-HUUCEWRRSA-N 1 2 322.474 2.762 20 30 DFEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(N)=O)C1 ZINC000249541524 341399061 /nfs/dbraw/zinc/39/90/61/341399061.db2.gz FBRPHMWJFKYFFF-IUODEOHRSA-N 1 2 324.346 2.643 20 30 DFEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(N)=O)C1 ZINC000249541524 341399062 /nfs/dbraw/zinc/39/90/62/341399062.db2.gz FBRPHMWJFKYFFF-IUODEOHRSA-N 1 2 324.346 2.643 20 30 DFEDLO C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)n1cc[nH+]c1 ZINC000565047680 341515793 /nfs/dbraw/zinc/51/57/93/341515793.db2.gz OVAKTGQBKREHLX-SMDDNHRTSA-N 1 2 302.765 2.869 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000565642225 341533756 /nfs/dbraw/zinc/53/37/56/341533756.db2.gz QPMHPSBSTXZUQP-CYBMUJFWSA-N 1 2 308.385 2.949 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccccc1Cl ZINC000567995189 341644493 /nfs/dbraw/zinc/64/44/93/341644493.db2.gz DFTSTQDDFFMZKY-INIZCTEOSA-N 1 2 307.825 2.623 20 30 DFEDLO N#CC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCC1 ZINC000576340923 341841219 /nfs/dbraw/zinc/84/12/19/341841219.db2.gz VFDLICBYDZNYRX-OAHLLOKOSA-N 1 2 308.385 2.742 20 30 DFEDLO COc1cc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1C#N ZINC000294821482 533800272 /nfs/dbraw/zinc/80/02/72/533800272.db2.gz OYPQBDLNTMMCHV-MRXNPFEDSA-N 1 2 310.401 2.883 20 30 DFEDLO Cc1nsc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1C#N ZINC000297447710 534512827 /nfs/dbraw/zinc/51/28/27/534512827.db2.gz OUALGHDPMITZBE-LLVKDONJSA-N 1 2 316.390 2.805 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000680918087 545563385 /nfs/dbraw/zinc/56/33/85/545563385.db2.gz BDXVWIMBQCIJKD-CQSZACIVSA-N 1 2 308.447 2.546 20 30 DFEDLO C=CC[C@H](C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000681896569 545745732 /nfs/dbraw/zinc/74/57/32/545745732.db2.gz ZCFWHIBREFYKPV-DLBZAZTESA-N 1 2 324.428 2.585 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(F)cc1Br ZINC000683045975 545966363 /nfs/dbraw/zinc/96/63/63/545966363.db2.gz CEYBNFQDENGGTO-ZDUSSCGKSA-N 1 2 302.187 2.957 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000683045975 545966366 /nfs/dbraw/zinc/96/63/66/545966366.db2.gz CEYBNFQDENGGTO-ZDUSSCGKSA-N 1 2 302.187 2.957 20 30 DFEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823920020 607479389 /nfs/dbraw/zinc/47/93/89/607479389.db2.gz WUOIXGKYYFBKFT-UHFFFAOYSA-N 1 2 312.402 2.511 20 30 DFEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823920020 607479390 /nfs/dbraw/zinc/47/93/90/607479390.db2.gz WUOIXGKYYFBKFT-UHFFFAOYSA-N 1 2 312.402 2.511 20 30 DFEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1C#N ZINC000303407268 230886829 /nfs/dbraw/zinc/88/68/29/230886829.db2.gz SAWJVTNGXLHZOE-LBPRGKRZSA-N 1 2 324.359 2.888 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1F ZINC000314750146 231134070 /nfs/dbraw/zinc/13/40/70/231134070.db2.gz ISEFCYKAWIHTMS-UHFFFAOYSA-N 1 2 302.271 2.587 20 30 DFEDLO COc1ccc2ncc(C#N)c(NCCCCn3cc[nH+]c3)c2c1 ZINC000591928065 398356845 /nfs/dbraw/zinc/35/68/45/398356845.db2.gz HZAUDLFTJUCBDN-UHFFFAOYSA-N 1 2 321.384 2.626 20 30 DFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000596194221 398353851 /nfs/dbraw/zinc/35/38/51/398353851.db2.gz GROLAWARXKHGLC-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000081515137 398355162 /nfs/dbraw/zinc/35/51/62/398355162.db2.gz URODSFKHKMOQMD-AWEZNQCLSA-N 1 2 305.447 2.887 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000081515137 398355167 /nfs/dbraw/zinc/35/51/67/398355167.db2.gz URODSFKHKMOQMD-AWEZNQCLSA-N 1 2 305.447 2.887 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CC2CCC1CC2 ZINC000591963518 398364306 /nfs/dbraw/zinc/36/43/06/398364306.db2.gz GIRWGFSQDZYPEB-JXQTWKCFSA-N 1 2 310.405 2.978 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2cc(C#N)cnn2)CC1 ZINC000596226076 398361620 /nfs/dbraw/zinc/36/16/20/398361620.db2.gz UTQVUSYLXYBQEY-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO CN(C(=O)C#Cc1ccccc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000081623454 398362964 /nfs/dbraw/zinc/36/29/64/398362964.db2.gz NPOLNLJZMUESJD-UHFFFAOYSA-N 1 2 319.408 2.561 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCCC[C@H]1C1CCC1 ZINC000591999299 398371041 /nfs/dbraw/zinc/37/10/41/398371041.db2.gz MNTQFRCFYJGYPT-HNNXBMFYSA-N 1 2 310.405 2.899 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C#N)cc3)c2cc1C ZINC000066400348 398374630 /nfs/dbraw/zinc/37/46/30/398374630.db2.gz STXNSACFWNQKEE-MRXNPFEDSA-N 1 2 321.380 2.965 20 30 DFEDLO COc1cc[nH+]c(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000579077429 398377956 /nfs/dbraw/zinc/37/79/56/398377956.db2.gz VPUHCUCSAYAXNA-SJORKVTESA-N 1 2 301.390 2.517 20 30 DFEDLO CC[N@@H+](Cc1ccncc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000592059572 398378214 /nfs/dbraw/zinc/37/82/14/398378214.db2.gz UCSPSOBEPPUXRI-MRXNPFEDSA-N 1 2 309.369 2.615 20 30 DFEDLO CC[N@H+](Cc1ccncc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000592059572 398378216 /nfs/dbraw/zinc/37/82/16/398378216.db2.gz UCSPSOBEPPUXRI-MRXNPFEDSA-N 1 2 309.369 2.615 20 30 DFEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccncc3C#N)CC2)c1 ZINC000592067451 398379028 /nfs/dbraw/zinc/37/90/28/398379028.db2.gz QFYRYSWKLUGTHH-UHFFFAOYSA-N 1 2 318.380 2.868 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469073 398379586 /nfs/dbraw/zinc/37/95/86/398379586.db2.gz MWXZPOHLXTVLJY-KBPBESRZSA-N 1 2 305.447 2.743 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469073 398379588 /nfs/dbraw/zinc/37/95/88/398379588.db2.gz MWXZPOHLXTVLJY-KBPBESRZSA-N 1 2 305.447 2.743 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000596306361 398381635 /nfs/dbraw/zinc/38/16/35/398381635.db2.gz PNAKEHXYZQALQZ-UHFFFAOYSA-N 1 2 320.400 2.843 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000596306361 398381637 /nfs/dbraw/zinc/38/16/37/398381637.db2.gz PNAKEHXYZQALQZ-UHFFFAOYSA-N 1 2 320.400 2.843 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245403697 398384161 /nfs/dbraw/zinc/38/41/61/398384161.db2.gz MPYSHRQRYWDENY-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245403697 398384162 /nfs/dbraw/zinc/38/41/62/398384162.db2.gz MPYSHRQRYWDENY-SJLPKXTDSA-N 1 2 316.445 2.873 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559397 398384529 /nfs/dbraw/zinc/38/45/29/398384529.db2.gz DBRDNSVLSCZEFO-CQSZACIVSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559397 398384531 /nfs/dbraw/zinc/38/45/31/398384531.db2.gz DBRDNSVLSCZEFO-CQSZACIVSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361164 185313800 /nfs/dbraw/zinc/31/38/00/185313800.db2.gz HCUPGSBJTAMRKX-LBPRGKRZSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361164 185313801 /nfs/dbraw/zinc/31/38/01/185313801.db2.gz HCUPGSBJTAMRKX-LBPRGKRZSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361444 185313931 /nfs/dbraw/zinc/31/39/31/185313931.db2.gz QCMATMDKFRJQSY-QDLOVBKTSA-N 1 2 309.406 2.514 20 30 DFEDLO C=CC[N@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361444 185313932 /nfs/dbraw/zinc/31/39/32/185313932.db2.gz QCMATMDKFRJQSY-QDLOVBKTSA-N 1 2 309.406 2.514 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccncc1C#N ZINC000592123142 398387363 /nfs/dbraw/zinc/38/73/63/398387363.db2.gz XBFSTIHUGIJOSX-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000592123142 398387366 /nfs/dbraw/zinc/38/73/66/398387366.db2.gz XBFSTIHUGIJOSX-AWEZNQCLSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592125415 398387925 /nfs/dbraw/zinc/38/79/25/398387925.db2.gz WSPJLZZJUAXBMZ-UKRRQHHQSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125415 398387926 /nfs/dbraw/zinc/38/79/26/398387926.db2.gz WSPJLZZJUAXBMZ-UKRRQHHQSA-N 1 2 315.417 2.753 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000581204810 398388837 /nfs/dbraw/zinc/38/88/37/398388837.db2.gz BVUKIYTZDHCCEX-GFCCVEGCSA-N 1 2 323.234 2.581 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000581204810 398388841 /nfs/dbraw/zinc/38/88/41/398388841.db2.gz BVUKIYTZDHCCEX-GFCCVEGCSA-N 1 2 323.234 2.581 20 30 DFEDLO CCOC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000014217865 398389476 /nfs/dbraw/zinc/38/94/76/398389476.db2.gz WKVBCWCUSDVNTJ-UHFFFAOYSA-N 1 2 311.385 2.586 20 30 DFEDLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146831 398391760 /nfs/dbraw/zinc/39/17/60/398391760.db2.gz GJJJLJYRNGVYAI-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146831 398391762 /nfs/dbraw/zinc/39/17/62/398391762.db2.gz GJJJLJYRNGVYAI-OAHLLOKOSA-N 1 2 303.387 2.562 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181386185 199289230 /nfs/dbraw/zinc/28/92/30/199289230.db2.gz FAUIXERBKPAVQU-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181386185 199289232 /nfs/dbraw/zinc/28/92/32/199289232.db2.gz FAUIXERBKPAVQU-UHFFFAOYSA-N 1 2 312.398 2.618 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592192064 398399705 /nfs/dbraw/zinc/39/97/05/398399705.db2.gz GMTXAVQWIGFFHX-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592192064 398399707 /nfs/dbraw/zinc/39/97/07/398399707.db2.gz GMTXAVQWIGFFHX-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 ZINC000017843616 398404456 /nfs/dbraw/zinc/40/44/56/398404456.db2.gz DNCBXOHMCIRUCV-INIZCTEOSA-N 1 2 309.413 2.559 20 30 DFEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cccs1 ZINC000019540535 398407226 /nfs/dbraw/zinc/40/72/26/398407226.db2.gz KNCRFBPFTLGOKP-UHFFFAOYSA-N 1 2 321.446 2.505 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cccs1 ZINC000019540535 398407230 /nfs/dbraw/zinc/40/72/30/398407230.db2.gz KNCRFBPFTLGOKP-UHFFFAOYSA-N 1 2 321.446 2.505 20 30 DFEDLO N#CCC[C@@H](C#N)CNCc1[nH+]ccn1CCc1ccccc1 ZINC000584834529 398419180 /nfs/dbraw/zinc/41/91/80/398419180.db2.gz RDZATHQRWXRRAG-KRWDZBQOSA-N 1 2 307.401 2.659 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nccn1CCc1ccccc1 ZINC000584834529 398419183 /nfs/dbraw/zinc/41/91/83/398419183.db2.gz RDZATHQRWXRRAG-KRWDZBQOSA-N 1 2 307.401 2.659 20 30 DFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000023220054 398423110 /nfs/dbraw/zinc/42/31/10/398423110.db2.gz ZIPQLSRYHMRJCB-UHFFFAOYSA-N 1 2 303.381 2.600 20 30 DFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000023220054 398423115 /nfs/dbraw/zinc/42/31/15/398423115.db2.gz ZIPQLSRYHMRJCB-UHFFFAOYSA-N 1 2 303.381 2.600 20 30 DFEDLO CC(C)Cn1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000592510166 398438151 /nfs/dbraw/zinc/43/81/51/398438151.db2.gz ZXXFZLSBYFCVOL-UHFFFAOYSA-N 1 2 323.444 2.991 20 30 DFEDLO COc1cc(Br)c(C[NH2+][C@H](C)CC#N)cc1OC ZINC000067406676 398432833 /nfs/dbraw/zinc/43/28/33/398432833.db2.gz AKLAJPAZUPRIFY-SECBINFHSA-N 1 2 313.195 2.858 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000585753784 398445408 /nfs/dbraw/zinc/44/54/08/398445408.db2.gz ORFOGKQRFWMPSI-OAHLLOKOSA-N 1 2 322.836 2.888 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000585753784 398445410 /nfs/dbraw/zinc/44/54/10/398445410.db2.gz ORFOGKQRFWMPSI-OAHLLOKOSA-N 1 2 322.836 2.888 20 30 DFEDLO C[C@@H]1c2ccccc2CN1c1[nH+]cnc2c1cnn2CCC#N ZINC000596556872 398446485 /nfs/dbraw/zinc/44/64/85/398446485.db2.gz WVCUENUOTXJSSA-GFCCVEGCSA-N 1 2 304.357 2.821 20 30 DFEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000586775524 398456857 /nfs/dbraw/zinc/45/68/57/398456857.db2.gz NBVOSGXUZKBEOS-IYBDPMFKSA-N 1 2 310.401 2.662 20 30 DFEDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000586775524 398456860 /nfs/dbraw/zinc/45/68/60/398456860.db2.gz NBVOSGXUZKBEOS-IYBDPMFKSA-N 1 2 310.401 2.662 20 30 DFEDLO N#CCN(C(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000592650003 398461859 /nfs/dbraw/zinc/46/18/59/398461859.db2.gz GQINWQLLVGUZIO-UHFFFAOYSA-N 1 2 302.765 2.873 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000596619821 398462944 /nfs/dbraw/zinc/46/29/44/398462944.db2.gz COHGYIOFDGTQII-IUODEOHRSA-N 1 2 323.400 2.995 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000596682943 398478574 /nfs/dbraw/zinc/47/85/74/398478574.db2.gz GFNQWXKXPDMIII-RISCZKNCSA-N 1 2 316.792 2.829 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000029443711 398485049 /nfs/dbraw/zinc/48/50/49/398485049.db2.gz HLZOXXRHHUUXQY-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596722173 398485978 /nfs/dbraw/zinc/48/59/78/398485978.db2.gz PDEDJDHRUDVTSX-AWEZNQCLSA-N 1 2 308.451 2.539 20 30 DFEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000030204786 398498400 /nfs/dbraw/zinc/49/84/00/398498400.db2.gz DUBLVAYYIAACQE-UHFFFAOYSA-N 1 2 302.305 2.709 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000030204786 398498402 /nfs/dbraw/zinc/49/84/02/398498402.db2.gz DUBLVAYYIAACQE-UHFFFAOYSA-N 1 2 302.305 2.709 20 30 DFEDLO C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc(C#N)c1 ZINC000588629101 398499769 /nfs/dbraw/zinc/49/97/69/398499769.db2.gz YEATZWMLXJWYRA-GFCCVEGCSA-N 1 2 321.371 2.713 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000068445240 398504765 /nfs/dbraw/zinc/50/47/65/398504765.db2.gz WJKWGSTVFLGGGT-UHFFFAOYSA-N 1 2 316.401 2.822 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596827698 398508864 /nfs/dbraw/zinc/50/88/64/398508864.db2.gz QNXFVSDRHCESKI-SOUVJXGZSA-N 1 2 315.417 2.784 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596827698 398508869 /nfs/dbraw/zinc/50/88/69/398508869.db2.gz QNXFVSDRHCESKI-SOUVJXGZSA-N 1 2 315.417 2.784 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000592998074 398516277 /nfs/dbraw/zinc/51/62/77/398516277.db2.gz PDAFMJIPFZDNNF-HOCLYGCPSA-N 1 2 301.346 2.610 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000592998074 398516283 /nfs/dbraw/zinc/51/62/83/398516283.db2.gz PDAFMJIPFZDNNF-HOCLYGCPSA-N 1 2 301.346 2.610 20 30 DFEDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593010045 398518781 /nfs/dbraw/zinc/51/87/81/398518781.db2.gz FNNTWKWBAXTAPS-HNNXBMFYSA-N 1 2 311.345 2.537 20 30 DFEDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000593010045 398518786 /nfs/dbraw/zinc/51/87/86/398518786.db2.gz FNNTWKWBAXTAPS-HNNXBMFYSA-N 1 2 311.345 2.537 20 30 DFEDLO CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1(C#N)CCC1 ZINC000596911699 398528028 /nfs/dbraw/zinc/52/80/28/398528028.db2.gz WJOGAPMNGDZNCF-HNNXBMFYSA-N 1 2 308.385 2.836 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596931319 398532170 /nfs/dbraw/zinc/53/21/70/398532170.db2.gz KLYQBTSHUIODLA-AWEZNQCLSA-N 1 2 323.400 2.751 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](OC(C)C)C2)c(C#N)c1C ZINC000593055379 398533096 /nfs/dbraw/zinc/53/30/96/398533096.db2.gz KQMRVNFYTKFUDO-AWEZNQCLSA-N 1 2 319.405 2.596 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](OC(C)C)C2)c(C#N)c1C ZINC000593055379 398533098 /nfs/dbraw/zinc/53/30/98/398533098.db2.gz KQMRVNFYTKFUDO-AWEZNQCLSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CO1 ZINC000593058293 398533707 /nfs/dbraw/zinc/53/37/07/398533707.db2.gz LBOIPHKBKVRQBG-JKSUJKDBSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CO1 ZINC000593058293 398533712 /nfs/dbraw/zinc/53/37/12/398533712.db2.gz LBOIPHKBKVRQBG-JKSUJKDBSA-N 1 2 321.465 2.561 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593071770 398537735 /nfs/dbraw/zinc/53/77/35/398537735.db2.gz AMXPLKSQDAPQDL-UHFFFAOYSA-N 1 2 311.357 2.679 20 30 DFEDLO C=CCNC(=O)c1ccc(NCc2cn3cccc(C)c3[nH+]2)nc1 ZINC000091628479 398538318 /nfs/dbraw/zinc/53/83/18/398538318.db2.gz LIKHKAXPYIYDKZ-UHFFFAOYSA-N 1 2 321.384 2.566 20 30 DFEDLO CC#CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000123672763 185831955 /nfs/dbraw/zinc/83/19/55/185831955.db2.gz ZBOJWKGCOXINMW-UHFFFAOYSA-N 1 2 312.442 2.979 20 30 DFEDLO CCCn1nccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000596983734 398540176 /nfs/dbraw/zinc/54/01/76/398540176.db2.gz IINIVAPDPBZSJI-LJQANCHMSA-N 1 2 323.444 2.676 20 30 DFEDLO CC[N@H+](CCCNC(=O)c1cccc(C#N)n1)c1ccccc1 ZINC000589259124 398541900 /nfs/dbraw/zinc/54/19/00/398541900.db2.gz ZYPBDBVSQBQVJY-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO CC[N@@H+](CCCNC(=O)c1cccc(C#N)n1)c1ccccc1 ZINC000589259124 398541903 /nfs/dbraw/zinc/54/19/03/398541903.db2.gz ZYPBDBVSQBQVJY-UHFFFAOYSA-N 1 2 308.385 2.600 20 30 DFEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cccc(-c2cnn(C)c2)c1 ZINC000091773517 398545122 /nfs/dbraw/zinc/54/51/22/398545122.db2.gz SLHPWHJNCJALCR-UHFFFAOYSA-N 1 2 313.401 2.638 20 30 DFEDLO C=CC[N@H+](CC(=O)OCC)Cc1cccc(-c2cnn(C)c2)c1 ZINC000091773517 398545126 /nfs/dbraw/zinc/54/51/26/398545126.db2.gz SLHPWHJNCJALCR-UHFFFAOYSA-N 1 2 313.401 2.638 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279743206 215108227 /nfs/dbraw/zinc/10/82/27/215108227.db2.gz KRLIZPWIACGUPQ-HNNXBMFYSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279743206 215108231 /nfs/dbraw/zinc/10/82/31/215108231.db2.gz KRLIZPWIACGUPQ-HNNXBMFYSA-N 1 2 320.458 2.606 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279752453 215114778 /nfs/dbraw/zinc/11/47/78/215114778.db2.gz LOAPBZSCHPJXTO-CJNGLKHVSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279752453 215114783 /nfs/dbraw/zinc/11/47/83/215114783.db2.gz LOAPBZSCHPJXTO-CJNGLKHVSA-N 1 2 315.417 2.632 20 30 DFEDLO Cc1nnc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)n1C ZINC000069169331 398555149 /nfs/dbraw/zinc/55/51/49/398555149.db2.gz ZGADETFPMVWYNU-SFHVURJKSA-N 1 2 317.396 2.874 20 30 DFEDLO CC(C)Cc1ccc([C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155031 398559461 /nfs/dbraw/zinc/55/94/61/398559461.db2.gz ZPIOVPLHPNZDJD-DNVCBOLYSA-N 1 2 315.461 2.949 20 30 DFEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCn2c[nH+]cc2C1 ZINC000589606240 398563339 /nfs/dbraw/zinc/56/33/39/398563339.db2.gz YHVSAKYVUGIQGJ-UHFFFAOYSA-N 1 2 311.295 2.601 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000597154537 398577777 /nfs/dbraw/zinc/57/77/77/398577777.db2.gz PFRNAEGWIONUPE-KBPBESRZSA-N 1 2 301.390 2.568 20 30 DFEDLO COCC(C)(C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590019327 398590607 /nfs/dbraw/zinc/59/06/07/398590607.db2.gz DGNTYTKIVADDFS-UHFFFAOYSA-N 1 2 312.417 2.909 20 30 DFEDLO COCC(C)(C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000590019327 398590608 /nfs/dbraw/zinc/59/06/08/398590608.db2.gz DGNTYTKIVADDFS-UHFFFAOYSA-N 1 2 312.417 2.909 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)NCC3(C#N)CCCC3)cn2c1 ZINC000593319857 398598600 /nfs/dbraw/zinc/59/86/00/398598600.db2.gz ZCMZMFOWJAADFY-UHFFFAOYSA-N 1 2 311.389 2.526 20 30 DFEDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000597255027 398608479 /nfs/dbraw/zinc/60/84/79/398608479.db2.gz FHKBNQJPSNFBFM-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000597255027 398608482 /nfs/dbraw/zinc/60/84/82/398608482.db2.gz FHKBNQJPSNFBFM-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO N#CC1(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000590174473 398603374 /nfs/dbraw/zinc/60/33/74/398603374.db2.gz WUIORRHBOQPLLO-UHFFFAOYSA-N 1 2 310.357 2.594 20 30 DFEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000071090454 398610182 /nfs/dbraw/zinc/61/01/82/398610182.db2.gz YJDDYQKPABMABN-FQEVSTJZSA-N 1 2 321.424 2.961 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000280690781 334969751 /nfs/dbraw/zinc/96/97/51/334969751.db2.gz RNMHMOWTKPVEPL-BBWFWOEESA-N 1 2 303.402 2.862 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000071230717 398610839 /nfs/dbraw/zinc/61/08/39/398610839.db2.gz UEVIAGSODSKWCY-UHFFFAOYSA-N 1 2 302.296 2.947 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000071230717 398610844 /nfs/dbraw/zinc/61/08/44/398610844.db2.gz UEVIAGSODSKWCY-UHFFFAOYSA-N 1 2 302.296 2.947 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000093099933 398618675 /nfs/dbraw/zinc/61/86/75/398618675.db2.gz BPBBCDBHXFWBTE-UHFFFAOYSA-N 1 2 306.406 2.844 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000093099933 398618679 /nfs/dbraw/zinc/61/86/79/398618679.db2.gz BPBBCDBHXFWBTE-UHFFFAOYSA-N 1 2 306.406 2.844 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093100073 398618690 /nfs/dbraw/zinc/61/86/90/398618690.db2.gz LVMSOIDMQIOILH-UHFFFAOYSA-N 1 2 302.353 2.578 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093100073 398618695 /nfs/dbraw/zinc/61/86/95/398618695.db2.gz LVMSOIDMQIOILH-UHFFFAOYSA-N 1 2 302.353 2.578 20 30 DFEDLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000593398346 398618775 /nfs/dbraw/zinc/61/87/75/398618775.db2.gz DVENGEUQTOGEEL-CYBMUJFWSA-N 1 2 308.385 2.511 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000590363438 398616940 /nfs/dbraw/zinc/61/69/40/398616940.db2.gz WNOMOHNWEDPXKK-AWEZNQCLSA-N 1 2 312.417 2.619 20 30 DFEDLO C[C@H]1C[C@]1(C#N)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351188682 398622153 /nfs/dbraw/zinc/62/21/53/398622153.db2.gz WPCJHWPSVMNYKA-YVEFUNNKSA-N 1 2 305.341 2.783 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000590476931 398624907 /nfs/dbraw/zinc/62/49/07/398624907.db2.gz ZTMIZOPUSZYDSJ-IRXDYDNUSA-N 1 2 322.412 2.997 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043627768 398625987 /nfs/dbraw/zinc/62/59/87/398625987.db2.gz LETLJTCAOMSIKP-SJKOYZFVSA-N 1 2 323.387 2.840 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043627768 398625989 /nfs/dbraw/zinc/62/59/89/398625989.db2.gz LETLJTCAOMSIKP-SJKOYZFVSA-N 1 2 323.387 2.840 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000597376266 398630458 /nfs/dbraw/zinc/63/04/58/398630458.db2.gz JARGGLCJMKNVNP-ZDUSSCGKSA-N 1 2 323.400 2.765 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000597376266 398630462 /nfs/dbraw/zinc/63/04/62/398630462.db2.gz JARGGLCJMKNVNP-ZDUSSCGKSA-N 1 2 323.400 2.765 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OCC)cc1OC ZINC000093323447 398631370 /nfs/dbraw/zinc/63/13/70/398631370.db2.gz MKGBRIGPKAWDOV-ZDUSSCGKSA-N 1 2 307.390 2.643 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)OCC)cc1OC ZINC000093323447 398631374 /nfs/dbraw/zinc/63/13/74/398631374.db2.gz MKGBRIGPKAWDOV-ZDUSSCGKSA-N 1 2 307.390 2.643 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000593474205 398640146 /nfs/dbraw/zinc/64/01/46/398640146.db2.gz KSIRFAFOEOPVBM-CZUORRHYSA-N 1 2 318.417 2.852 20 30 DFEDLO N#C[C@@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)CC12CCCC2 ZINC000590625959 398641155 /nfs/dbraw/zinc/64/11/55/398641155.db2.gz XNNAVWKTEZKJHJ-LJQANCHMSA-N 1 2 309.413 2.592 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)[C@@]3(C#N)CC34CCCC4)[nH+]c12 ZINC000590673472 398649430 /nfs/dbraw/zinc/64/94/30/398649430.db2.gz GZFMCKPTZFKSMI-IBGZPJMESA-N 1 2 322.412 2.776 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cnccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000094136632 398654546 /nfs/dbraw/zinc/65/45/46/398654546.db2.gz QNVPVXZYKOKKAL-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000593545462 398654674 /nfs/dbraw/zinc/65/46/74/398654674.db2.gz SVSFYZIOWWVVSF-WBVHZDCISA-N 1 2 310.401 2.907 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000287203125 219378327 /nfs/dbraw/zinc/37/83/27/219378327.db2.gz IGHFWSBJDLFCLI-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cn1 ZINC000287203125 219378331 /nfs/dbraw/zinc/37/83/31/219378331.db2.gz IGHFWSBJDLFCLI-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO C[NH+](C)[C@H](CNc1cnccc1C#N)c1c(F)cccc1F ZINC000094159896 398655803 /nfs/dbraw/zinc/65/58/03/398655803.db2.gz JFFSGGNLCCWCGP-OAHLLOKOSA-N 1 2 302.328 2.946 20 30 DFEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)CC1(C#N)CCCCC1 ZINC000597543039 398658397 /nfs/dbraw/zinc/65/83/97/398658397.db2.gz PFANNPTVFZYHTR-OAHLLOKOSA-N 1 2 314.433 2.768 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000045079274 398661577 /nfs/dbraw/zinc/66/15/77/398661577.db2.gz XYKPYIBBOIWASB-UHFFFAOYSA-N 1 2 324.771 2.984 20 30 DFEDLO Cc1ccc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)cc1C ZINC000590737402 398662438 /nfs/dbraw/zinc/66/24/38/398662438.db2.gz VJJCGCMPJULHRY-UHFFFAOYSA-N 1 2 320.400 2.993 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000597573279 398662840 /nfs/dbraw/zinc/66/28/40/398662840.db2.gz XTRYLWJJXKVFOI-SWLSCSKDSA-N 1 2 300.406 2.512 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000120419282 282786944 /nfs/dbraw/zinc/78/69/44/282786944.db2.gz ZVGPVDAQRGQREM-UHFFFAOYSA-N 1 2 318.327 2.619 20 30 DFEDLO CS[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590750081 398664801 /nfs/dbraw/zinc/66/48/01/398664801.db2.gz YMFLGCSOESILQD-HNNXBMFYSA-N 1 2 312.442 2.990 20 30 DFEDLO CS[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590750081 398664806 /nfs/dbraw/zinc/66/48/06/398664806.db2.gz YMFLGCSOESILQD-HNNXBMFYSA-N 1 2 312.442 2.990 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000045226062 398666414 /nfs/dbraw/zinc/66/64/14/398666414.db2.gz MHJMGWNFKLSMGC-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000593698898 398674278 /nfs/dbraw/zinc/67/42/78/398674278.db2.gz XKWNQLGYYUJXDX-UHFFFAOYSA-N 1 2 319.408 2.911 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000593698898 398674281 /nfs/dbraw/zinc/67/42/81/398674281.db2.gz XKWNQLGYYUJXDX-UHFFFAOYSA-N 1 2 319.408 2.911 20 30 DFEDLO CC[C@H](C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000593738410 398678857 /nfs/dbraw/zinc/67/88/57/398678857.db2.gz ZPOSDNNYIGUAKH-LLVKDONJSA-N 1 2 302.765 2.692 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593743415 398679902 /nfs/dbraw/zinc/67/99/02/398679902.db2.gz CWUTXILGOXHWGR-AWEZNQCLSA-N 1 2 322.412 2.853 20 30 DFEDLO C=CC[NH+](CC=C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000045914450 398689837 /nfs/dbraw/zinc/68/98/37/398689837.db2.gz ZREQKWVNUVGCJA-UHFFFAOYSA-N 1 2 300.318 2.819 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nn1 ZINC000593952347 398706931 /nfs/dbraw/zinc/70/69/31/398706931.db2.gz KGSWINRGCXEEFS-UHFFFAOYSA-N 1 2 307.401 2.890 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nn1 ZINC000593952347 398706935 /nfs/dbraw/zinc/70/69/35/398706935.db2.gz KGSWINRGCXEEFS-UHFFFAOYSA-N 1 2 307.401 2.890 20 30 DFEDLO CCn1cnnc1[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591030318 398717885 /nfs/dbraw/zinc/71/78/85/398717885.db2.gz SXEZGMBQLVOWOC-HNNXBMFYSA-N 1 2 317.437 2.535 20 30 DFEDLO CCn1cnnc1[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000591030318 398717886 /nfs/dbraw/zinc/71/78/86/398717886.db2.gz SXEZGMBQLVOWOC-HNNXBMFYSA-N 1 2 317.437 2.535 20 30 DFEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)Cn2cc[nH+]c2)c1C#N ZINC000073276384 191299600 /nfs/dbraw/zinc/29/96/00/191299600.db2.gz TWCABNLHKUCWMR-UHFFFAOYSA-N 1 2 319.368 2.801 20 30 DFEDLO N#Cc1csc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597942458 398725053 /nfs/dbraw/zinc/72/50/53/398725053.db2.gz YUWOITFTIJRFAU-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO CC[C@@H](C#N)N(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000594088272 398741123 /nfs/dbraw/zinc/74/11/23/398741123.db2.gz LUIPCPAYRAYQEK-JKSUJKDBSA-N 1 2 317.458 2.537 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCCC[C@H]1C#N ZINC000598074817 398748583 /nfs/dbraw/zinc/74/85/83/398748583.db2.gz IVDMGUQCVXRODQ-KBPBESRZSA-N 1 2 310.401 2.797 20 30 DFEDLO C[C@H](CC(=O)NC1(c2ccc(C#N)cc2)CCC1)n1cc[nH+]c1 ZINC000594148276 398755108 /nfs/dbraw/zinc/75/51/08/398755108.db2.gz SWUHMHPYULICIL-CQSZACIVSA-N 1 2 308.385 2.901 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594246135 398773434 /nfs/dbraw/zinc/77/34/34/398773434.db2.gz MQDXSCYTCSVMAM-GFCCVEGCSA-N 1 2 309.373 2.561 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000074918580 398774977 /nfs/dbraw/zinc/77/49/77/398774977.db2.gz JFCBKIZHGBRRKP-BBRMVZONSA-N 1 2 323.400 2.932 20 30 DFEDLO CC(C)C[C@@H](C#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594278848 398778428 /nfs/dbraw/zinc/77/84/28/398778428.db2.gz BAGBDUPENOBKFR-WDEREUQCSA-N 1 2 316.327 2.511 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccc(C#N)cc2Cl)C1 ZINC000591653404 398778653 /nfs/dbraw/zinc/77/86/53/398778653.db2.gz NNNKKQYJPXSXRR-HIFRSBDPSA-N 1 2 316.792 2.897 20 30 DFEDLO CC(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000120372347 398781320 /nfs/dbraw/zinc/78/13/20/398781320.db2.gz DWTBGHQUEAHMFD-INIZCTEOSA-N 1 2 318.417 2.893 20 30 DFEDLO Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591823048 398791807 /nfs/dbraw/zinc/79/18/07/398791807.db2.gz IIELNEWSIKRVRK-HNNXBMFYSA-N 1 2 312.373 2.662 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000591852953 398795449 /nfs/dbraw/zinc/79/54/49/398795449.db2.gz UDTKNXQXBATAET-BBRMVZONSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000591852953 398795450 /nfs/dbraw/zinc/79/54/50/398795450.db2.gz UDTKNXQXBATAET-BBRMVZONSA-N 1 2 315.417 2.895 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000075299567 398796455 /nfs/dbraw/zinc/79/64/55/398796455.db2.gz YDEWGUAZQHCRMJ-IRXDYDNUSA-N 1 2 308.385 2.572 20 30 DFEDLO CN(Cc1[nH+]ccn1C)Cc1cc(C#N)ccc1Br ZINC000276895912 213161068 /nfs/dbraw/zinc/16/10/68/213161068.db2.gz KXKUHJSQDYFPNQ-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000049982532 398801148 /nfs/dbraw/zinc/80/11/48/398801148.db2.gz MXOLFJUUJHAMIZ-BBRMVZONSA-N 1 2 301.434 2.962 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000049982532 398801149 /nfs/dbraw/zinc/80/11/49/398801149.db2.gz MXOLFJUUJHAMIZ-BBRMVZONSA-N 1 2 301.434 2.962 20 30 DFEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000276776297 213101681 /nfs/dbraw/zinc/10/16/81/213101681.db2.gz POXSRRCCELQJRO-HNNXBMFYSA-N 1 2 303.406 2.593 20 30 DFEDLO Cn1cc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000276776297 213101684 /nfs/dbraw/zinc/10/16/84/213101684.db2.gz POXSRRCCELQJRO-HNNXBMFYSA-N 1 2 303.406 2.593 20 30 DFEDLO C=C[C@@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000179323653 199015795 /nfs/dbraw/zinc/01/57/95/199015795.db2.gz 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ZINC000598595336 398838313 /nfs/dbraw/zinc/83/83/13/398838313.db2.gz IHELRAWYGDTUCS-CYBMUJFWSA-N 1 2 315.392 2.966 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617493 398841808 /nfs/dbraw/zinc/84/18/08/398841808.db2.gz SNFPBVVYQNFNBN-KGLIPLIRSA-N 1 2 319.453 2.756 20 30 DFEDLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)[nH]1 ZINC000598617493 398841811 /nfs/dbraw/zinc/84/18/11/398841811.db2.gz SNFPBVVYQNFNBN-KGLIPLIRSA-N 1 2 319.453 2.756 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1)C1CC1 ZINC000598649177 398847463 /nfs/dbraw/zinc/84/74/63/398847463.db2.gz JGCYQJAOCHSARW-HOCLYGCPSA-N 1 2 313.392 2.598 20 30 DFEDLO C[C@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCC1 ZINC000598651533 398848417 /nfs/dbraw/zinc/84/84/17/398848417.db2.gz ZYCCLSRYFUGWNJ-AAEUAGOBSA-N 1 2 313.392 2.741 20 30 DFEDLO C[C@H](CC#N)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000594732891 398851226 /nfs/dbraw/zinc/85/12/26/398851226.db2.gz WLOUVFCQZYZYKI-CYBMUJFWSA-N 1 2 312.373 2.586 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000594735585 398852030 /nfs/dbraw/zinc/85/20/30/398852030.db2.gz UWBORMNJMHEMIE-KRWDZBQOSA-N 1 2 309.369 2.927 20 30 DFEDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ncnn21 ZINC000594957125 398881295 /nfs/dbraw/zinc/88/12/95/398881295.db2.gz NBCRNKPIJYRROH-CJNGLKHVSA-N 1 2 311.389 2.756 20 30 DFEDLO CC(C)[C@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000594991044 398887982 /nfs/dbraw/zinc/88/79/82/398887982.db2.gz YJUPGJCHWPAQNF-CVEARBPZSA-N 1 2 301.415 2.863 20 30 DFEDLO C=C(Cl)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000077602118 398913395 /nfs/dbraw/zinc/91/33/95/398913395.db2.gz CIBVMDXPIJCONE-GFCCVEGCSA-N 1 2 317.767 2.619 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000187684458 200144479 /nfs/dbraw/zinc/14/44/79/200144479.db2.gz CVFAEFAVRWMPLC-YJBOKZPZSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000187684458 200144480 /nfs/dbraw/zinc/14/44/80/200144480.db2.gz CVFAEFAVRWMPLC-YJBOKZPZSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1nnc(N(C)CCc2[nH]c3ccccc3[nH+]2)c(C#N)c1C ZINC000599091232 398919662 /nfs/dbraw/zinc/91/96/62/398919662.db2.gz IIFRMUMYLCJNSA-UHFFFAOYSA-N 1 2 306.373 2.520 20 30 DFEDLO C=C(Cl)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000077790874 398925241 /nfs/dbraw/zinc/92/52/41/398925241.db2.gz YNMKCUTUPLOVFV-UHFFFAOYSA-N 1 2 322.840 2.870 20 30 DFEDLO CN1CCN([C@H](C#N)c2ccc(Cl)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000595465039 398944384 /nfs/dbraw/zinc/94/43/84/398944384.db2.gz MOEIFSGJMORQNU-HUUCEWRRSA-N 1 2 315.808 2.616 20 30 DFEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)CS(=O)(=O)CC ZINC000599292975 398949205 /nfs/dbraw/zinc/94/92/05/398949205.db2.gz MIUSAWVGQGQTPK-CQSZACIVSA-N 1 2 308.447 2.512 20 30 DFEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)CS(=O)(=O)CC ZINC000599292975 398949207 /nfs/dbraw/zinc/94/92/07/398949207.db2.gz MIUSAWVGQGQTPK-CQSZACIVSA-N 1 2 308.447 2.512 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595499270 398950408 /nfs/dbraw/zinc/95/04/08/398950408.db2.gz WDXSNRUZXQJLJM-IAGOWNOFSA-N 1 2 322.412 2.866 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599319091 398953283 /nfs/dbraw/zinc/95/32/83/398953283.db2.gz BAYLFDYSPOKLRV-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599319091 398953287 /nfs/dbraw/zinc/95/32/87/398953287.db2.gz BAYLFDYSPOKLRV-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccc(OC)cc1 ZINC000056291427 398959559 /nfs/dbraw/zinc/95/95/59/398959559.db2.gz GGLYTUAJFBKGQB-OAHLLOKOSA-N 1 2 304.434 2.844 20 30 DFEDLO COc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000604559852 398958424 /nfs/dbraw/zinc/95/84/24/398958424.db2.gz YZRIQWHCLRLVDC-GFCCVEGCSA-N 1 2 322.372 2.922 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccc(OC)cc1 ZINC000056291427 398959564 /nfs/dbraw/zinc/95/95/64/398959564.db2.gz GGLYTUAJFBKGQB-OAHLLOKOSA-N 1 2 304.434 2.844 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccc(OC)cc1 ZINC000056291428 398960054 /nfs/dbraw/zinc/96/00/54/398960054.db2.gz GGLYTUAJFBKGQB-HNNXBMFYSA-N 1 2 304.434 2.844 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccc(OC)cc1 ZINC000056291428 398960061 /nfs/dbraw/zinc/96/00/61/398960061.db2.gz GGLYTUAJFBKGQB-HNNXBMFYSA-N 1 2 304.434 2.844 20 30 DFEDLO COC(=O)C1([N@H+](CC#Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000595540894 398961501 /nfs/dbraw/zinc/96/15/01/398961501.db2.gz AOINYEGVTVCJSN-UHFFFAOYSA-N 1 2 301.361 2.737 20 30 DFEDLO COC(=O)C1([N@@H+](CC#Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000595540894 398961504 /nfs/dbraw/zinc/96/15/04/398961504.db2.gz AOINYEGVTVCJSN-UHFFFAOYSA-N 1 2 301.361 2.737 20 30 DFEDLO CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](COC)C(=O)OCC ZINC000599390025 398971129 /nfs/dbraw/zinc/97/11/29/398971129.db2.gz GLQVIPFOKPWRKV-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](COC)C(=O)OCC ZINC000599390025 398971133 /nfs/dbraw/zinc/97/11/33/398971133.db2.gz GLQVIPFOKPWRKV-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO Cc1ccc2[nH+]c(CSc3nc(N)c(C#N)cc3C#N)cn2c1 ZINC000078605365 398972580 /nfs/dbraw/zinc/97/25/80/398972580.db2.gz ZSZNVHLEQNGNAK-UHFFFAOYSA-N 1 2 320.381 2.656 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)CCC(C)C)C2 ZINC000164634477 398988654 /nfs/dbraw/zinc/98/86/54/398988654.db2.gz IENMVSMWSQDECU-CQSZACIVSA-N 1 2 302.422 2.611 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)CCC(C)C)CC2 ZINC000164634477 398988658 /nfs/dbraw/zinc/98/86/58/398988658.db2.gz IENMVSMWSQDECU-CQSZACIVSA-N 1 2 302.422 2.611 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000056878830 398997322 /nfs/dbraw/zinc/99/73/22/398997322.db2.gz KTEGOGFYAWPSCF-AWEZNQCLSA-N 1 2 316.380 2.809 20 30 DFEDLO N#CCCn1cc(C[NH+]2CC3(C2)CCCO3)c(-c2ccccc2)n1 ZINC000600189965 398998063 /nfs/dbraw/zinc/99/80/63/398998063.db2.gz OJPWTCVIHBDOQY-UHFFFAOYSA-N 1 2 322.412 2.829 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595613331 399000390 /nfs/dbraw/zinc/00/03/90/399000390.db2.gz AYPZZMFBYKOXSP-ZDUSSCGKSA-N 1 2 321.446 2.763 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595613331 399000396 /nfs/dbraw/zinc/00/03/96/399000396.db2.gz AYPZZMFBYKOXSP-ZDUSSCGKSA-N 1 2 321.446 2.763 20 30 DFEDLO C[C@@H]1C[NH+](CC(=O)Nc2sccc2C#N)C[C@@H](C)C1(F)F ZINC000599513755 399000509 /nfs/dbraw/zinc/00/05/09/399000509.db2.gz UBEZWXMDCYRQBW-NXEZZACHSA-N 1 2 313.373 2.781 20 30 DFEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614888 399000635 /nfs/dbraw/zinc/00/06/35/399000635.db2.gz JAVTWJJEFUKUIG-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614888 399000637 /nfs/dbraw/zinc/00/06/37/399000637.db2.gz JAVTWJJEFUKUIG-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595616700 399003369 /nfs/dbraw/zinc/00/33/69/399003369.db2.gz VMGIUYVVEPPPJW-ZIAGYGMSSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595616700 399003371 /nfs/dbraw/zinc/00/33/71/399003371.db2.gz VMGIUYVVEPPPJW-ZIAGYGMSSA-N 1 2 306.410 2.929 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623540 399007808 /nfs/dbraw/zinc/00/78/08/399007808.db2.gz SWGDMLYLFXSSMA-LBPRGKRZSA-N 1 2 317.345 2.507 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623540 399007811 /nfs/dbraw/zinc/00/78/11/399007811.db2.gz SWGDMLYLFXSSMA-LBPRGKRZSA-N 1 2 317.345 2.507 20 30 DFEDLO Cn1ncc(Cl)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212715 399008866 /nfs/dbraw/zinc/00/88/66/399008866.db2.gz HHHLTGMQBWHDKZ-UHFFFAOYSA-N 1 2 300.793 2.698 20 30 DFEDLO Cn1ncc(Cl)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212715 399008870 /nfs/dbraw/zinc/00/88/70/399008870.db2.gz HHHLTGMQBWHDKZ-UHFFFAOYSA-N 1 2 300.793 2.698 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000595630543 399010863 /nfs/dbraw/zinc/01/08/63/399010863.db2.gz ZNPJEEJAVPHDOB-UHFFFAOYSA-N 1 2 308.410 2.814 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000613559433 399020190 /nfs/dbraw/zinc/02/01/90/399020190.db2.gz VPTQVOIPRCKHJE-UHFFFAOYSA-N 1 2 304.390 2.694 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000613559433 399020198 /nfs/dbraw/zinc/02/01/98/399020198.db2.gz VPTQVOIPRCKHJE-UHFFFAOYSA-N 1 2 304.390 2.694 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cscn2)c(C#N)c1C ZINC000595668346 399026554 /nfs/dbraw/zinc/02/65/54/399026554.db2.gz MFWZULRFGWMSIT-NXEZZACHSA-N 1 2 318.402 2.902 20 30 DFEDLO CCN(CCOC)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)n1 ZINC000595689259 399034960 /nfs/dbraw/zinc/03/49/60/399034960.db2.gz KZBIPFJEAQUIQU-DOTOQJQBSA-N 1 2 316.449 2.726 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000595699838 399042439 /nfs/dbraw/zinc/04/24/39/399042439.db2.gz AWGHYUVALJQGSX-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000595699838 399042442 /nfs/dbraw/zinc/04/24/42/399042442.db2.gz AWGHYUVALJQGSX-MRXNPFEDSA-N 1 2 315.392 2.915 20 30 DFEDLO CCc1nc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)sc1C ZINC000595702499 399046041 /nfs/dbraw/zinc/04/60/41/399046041.db2.gz KLSLHTDQNUKXBH-DGCLKSJQSA-N 1 2 306.435 2.624 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)c(C#N)c1C ZINC000595705944 399047552 /nfs/dbraw/zinc/04/75/52/399047552.db2.gz YQZJWFADVKOOEJ-JSGCOSHPSA-N 1 2 316.430 2.847 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H](C)[C@H]1O ZINC000595731241 399060698 /nfs/dbraw/zinc/06/06/98/399060698.db2.gz COSAOJVGUQGPTQ-HBYGRHMLSA-N 1 2 323.234 2.769 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H](C)[C@H]1O ZINC000595731241 399060700 /nfs/dbraw/zinc/06/07/00/399060700.db2.gz COSAOJVGUQGPTQ-HBYGRHMLSA-N 1 2 323.234 2.769 20 30 DFEDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679909 399060743 /nfs/dbraw/zinc/06/07/43/399060743.db2.gz ZXESWUXJPSDDKZ-UHFFFAOYSA-N 1 2 313.445 2.663 20 30 DFEDLO CC(C)(C)CCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679909 399060744 /nfs/dbraw/zinc/06/07/44/399060744.db2.gz ZXESWUXJPSDDKZ-UHFFFAOYSA-N 1 2 313.445 2.663 20 30 DFEDLO C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483576 334996922 /nfs/dbraw/zinc/99/69/22/334996922.db2.gz OLKXPKKHDZXHON-UHFFFAOYSA-N 1 2 320.820 2.537 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1F)C2 ZINC000599686281 399062579 /nfs/dbraw/zinc/06/25/79/399062579.db2.gz OREUDGXHLSIQPK-UHFFFAOYSA-N 1 2 323.371 2.889 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1F)C2 ZINC000599686281 399062582 /nfs/dbraw/zinc/06/25/82/399062582.db2.gz OREUDGXHLSIQPK-UHFFFAOYSA-N 1 2 323.371 2.889 20 30 DFEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCOCCC#N ZINC000595757820 399071877 /nfs/dbraw/zinc/07/18/77/399071877.db2.gz GCZOZPVITXIGHD-MRXNPFEDSA-N 1 2 306.381 2.908 20 30 DFEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCOCCC#N ZINC000595757820 399071882 /nfs/dbraw/zinc/07/18/82/399071882.db2.gz GCZOZPVITXIGHD-MRXNPFEDSA-N 1 2 306.381 2.908 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC)cc1Cl ZINC000092096709 193157079 /nfs/dbraw/zinc/15/70/79/193157079.db2.gz NUZMDWJLNDDRTG-CQSZACIVSA-N 1 2 308.809 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC)cc1Cl ZINC000092096709 193157080 /nfs/dbraw/zinc/15/70/80/193157080.db2.gz NUZMDWJLNDDRTG-CQSZACIVSA-N 1 2 308.809 2.615 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595809476 399093757 /nfs/dbraw/zinc/09/37/57/399093757.db2.gz ROWBVYYQYIOFFM-CYBMUJFWSA-N 1 2 315.373 3.000 20 30 DFEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595809476 399093762 /nfs/dbraw/zinc/09/37/62/399093762.db2.gz ROWBVYYQYIOFFM-CYBMUJFWSA-N 1 2 315.373 3.000 20 30 DFEDLO CC[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H](C)C#N ZINC000595813542 399095893 /nfs/dbraw/zinc/09/58/93/399095893.db2.gz NYKPADZDZZMEEV-OAHLLOKOSA-N 1 2 312.421 2.744 20 30 DFEDLO CC[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H](C)C#N ZINC000595813542 399095901 /nfs/dbraw/zinc/09/59/01/399095901.db2.gz NYKPADZDZZMEEV-OAHLLOKOSA-N 1 2 312.421 2.744 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827277 399101359 /nfs/dbraw/zinc/10/13/59/399101359.db2.gz BXZWJSCXVMFTJS-HNNXBMFYSA-N 1 2 301.386 2.574 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833080 399103983 /nfs/dbraw/zinc/10/39/83/399103983.db2.gz FNXPCFVDTXIFKQ-HKUYNNGSSA-N 1 2 311.429 2.976 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833080 399103987 /nfs/dbraw/zinc/10/39/87/399103987.db2.gz FNXPCFVDTXIFKQ-HKUYNNGSSA-N 1 2 311.429 2.976 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2ccon2)CC1 ZINC000595829474 399102993 /nfs/dbraw/zinc/10/29/93/399102993.db2.gz UOFNTDLIYNAURR-UHFFFAOYSA-N 1 2 312.329 2.834 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835307 399105663 /nfs/dbraw/zinc/10/56/63/399105663.db2.gz QHSNSQHSLANGLM-NVXWUHKLSA-N 1 2 301.390 2.648 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835307 399105665 /nfs/dbraw/zinc/10/56/65/399105665.db2.gz QHSNSQHSLANGLM-NVXWUHKLSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838655 399108338 /nfs/dbraw/zinc/10/83/38/399108338.db2.gz XOFBDBKNJRSBTG-PXAZEXFGSA-N 1 2 321.371 2.720 20 30 DFEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838655 399108342 /nfs/dbraw/zinc/10/83/42/399108342.db2.gz XOFBDBKNJRSBTG-PXAZEXFGSA-N 1 2 321.371 2.720 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842512 399108952 /nfs/dbraw/zinc/10/89/52/399108952.db2.gz FEPPWBUOIJPQNX-CJNGLKHVSA-N 1 2 308.809 2.624 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842512 399108955 /nfs/dbraw/zinc/10/89/55/399108955.db2.gz FEPPWBUOIJPQNX-CJNGLKHVSA-N 1 2 308.809 2.624 20 30 DFEDLO CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)C[C@@H](C)C#N ZINC000060038265 399115019 /nfs/dbraw/zinc/11/50/19/399115019.db2.gz SRQSKDPNQDFGBY-INIZCTEOSA-N 1 2 315.461 2.950 20 30 DFEDLO CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)C[C@@H](C)C#N ZINC000060038265 399115026 /nfs/dbraw/zinc/11/50/26/399115026.db2.gz SRQSKDPNQDFGBY-INIZCTEOSA-N 1 2 315.461 2.950 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677569 399115430 /nfs/dbraw/zinc/11/54/30/399115430.db2.gz HARQDIBWXMIZOD-UHFFFAOYSA-N 1 2 324.428 2.752 20 30 DFEDLO N#CCCCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600678535 399115727 /nfs/dbraw/zinc/11/57/27/399115727.db2.gz SKSIBSFBMDNDEZ-UHFFFAOYSA-N 1 2 310.401 2.506 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600679035 399115803 /nfs/dbraw/zinc/11/58/03/399115803.db2.gz YFZSTNJJXVPFKR-IBGZPJMESA-N 1 2 324.428 2.752 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340191530 284156313 /nfs/dbraw/zinc/15/63/13/284156313.db2.gz IFPHXLYYMFRVMI-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340191530 284156315 /nfs/dbraw/zinc/15/63/15/284156315.db2.gz IFPHXLYYMFRVMI-ZIAGYGMSSA-N 1 2 316.298 2.975 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2n1CCCCC2 ZINC000093492284 193260384 /nfs/dbraw/zinc/26/03/84/193260384.db2.gz SQOPSYWYSDCIJB-LLVKDONJSA-N 1 2 301.419 2.788 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000600092603 399134311 /nfs/dbraw/zinc/13/43/11/399134311.db2.gz LIBKAAXPBXKLNO-OAHLLOKOSA-N 1 2 322.412 2.677 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917437 399134712 /nfs/dbraw/zinc/13/47/12/399134712.db2.gz MLCGRFVNIGBMPG-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917437 399134716 /nfs/dbraw/zinc/13/47/16/399134716.db2.gz MLCGRFVNIGBMPG-LRDDRELGSA-N 1 2 310.344 2.682 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(OC2CC2)c1 ZINC000600118636 399142133 /nfs/dbraw/zinc/14/21/33/399142133.db2.gz ZUSXRJRAEQVBTH-UHFFFAOYSA-N 1 2 304.390 2.598 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(OC2CC2)c1 ZINC000600118636 399142139 /nfs/dbraw/zinc/14/21/39/399142139.db2.gz ZUSXRJRAEQVBTH-UHFFFAOYSA-N 1 2 304.390 2.598 20 30 DFEDLO C=CCOCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000618525784 399145440 /nfs/dbraw/zinc/14/54/40/399145440.db2.gz MGLLTLBBUBNKQT-INIZCTEOSA-N 1 2 313.401 2.641 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551331 399157782 /nfs/dbraw/zinc/15/77/82/399157782.db2.gz SELAXLQHSNNDMZ-KBPBESRZSA-N 1 2 311.389 2.734 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000265051406 204366129 /nfs/dbraw/zinc/36/61/29/204366129.db2.gz YZJWBPOSZJREBL-UHFFFAOYSA-N 1 2 324.384 2.804 20 30 DFEDLO C#CC[N@@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C1CC1 ZINC000284953532 335015893 /nfs/dbraw/zinc/01/58/93/335015893.db2.gz JFGWRXKVJNEKDV-UHFFFAOYSA-N 1 2 303.745 2.750 20 30 DFEDLO C#CC[N@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C1CC1 ZINC000284953532 335015895 /nfs/dbraw/zinc/01/58/95/335015895.db2.gz JFGWRXKVJNEKDV-UHFFFAOYSA-N 1 2 303.745 2.750 20 30 DFEDLO C=CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284763973 335017039 /nfs/dbraw/zinc/01/70/39/335017039.db2.gz MGVONQZLDTVHIQ-CQSZACIVSA-N 1 2 320.437 2.590 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1nc2ncccc2cc1C#N ZINC000596107173 399176366 /nfs/dbraw/zinc/17/63/66/399176366.db2.gz STXKEJCPUDQEBF-HNNXBMFYSA-N 1 2 318.384 2.967 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063388192 399186671 /nfs/dbraw/zinc/18/66/71/399186671.db2.gz DPBSXXYPVPISEJ-MRXNPFEDSA-N 1 2 311.429 2.947 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063388192 399186675 /nfs/dbraw/zinc/18/66/75/399186675.db2.gz DPBSXXYPVPISEJ-MRXNPFEDSA-N 1 2 311.429 2.947 20 30 DFEDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000271689625 209128009 /nfs/dbraw/zinc/12/80/09/209128009.db2.gz RAYVYSRQHQFPLU-JTQLQIEISA-N 1 2 300.387 2.824 20 30 DFEDLO COc1cc(C[NH2+]Cc2nccc(C(F)F)n2)ccc1C#N ZINC000288334330 220090477 /nfs/dbraw/zinc/09/04/77/220090477.db2.gz AVOXVPTYUJRMCI-UHFFFAOYSA-N 1 2 304.300 2.584 20 30 DFEDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000282891086 217305029 /nfs/dbraw/zinc/30/50/29/217305029.db2.gz WGSXDFODPCLULZ-LLVKDONJSA-N 1 2 301.369 2.895 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC000081044787 399207525 /nfs/dbraw/zinc/20/75/25/399207525.db2.gz VAQJNAPGYSDWMX-UHFFFAOYSA-N 1 2 315.461 2.697 20 30 DFEDLO N#CCC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC000081044787 399207529 /nfs/dbraw/zinc/20/75/29/399207529.db2.gz VAQJNAPGYSDWMX-UHFFFAOYSA-N 1 2 315.461 2.697 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C[C@@H](C)C#N ZINC000064249099 399217454 /nfs/dbraw/zinc/21/74/54/399217454.db2.gz WYWWXFJANXHNOH-HOCLYGCPSA-N 1 2 301.434 2.524 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C[C@@H](C)C#N ZINC000064249099 399217457 /nfs/dbraw/zinc/21/74/57/399217457.db2.gz WYWWXFJANXHNOH-HOCLYGCPSA-N 1 2 301.434 2.524 20 30 DFEDLO Cn1ncc2c1nc[nH+]c2S[C@@H](C#N)CCc1ccccc1 ZINC000601075374 399218765 /nfs/dbraw/zinc/21/87/65/399218765.db2.gz PFWFOGQIBNYKRX-CYBMUJFWSA-N 1 2 309.398 2.980 20 30 DFEDLO O[C@@H](C[C@H]1COCC[N@@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000192073847 335023167 /nfs/dbraw/zinc/02/31/67/335023167.db2.gz FOPUMDGZRFCQSE-SFTDATJTSA-N 1 2 321.420 2.863 20 30 DFEDLO O[C@@H](C[C@H]1COCC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000192073847 335023169 /nfs/dbraw/zinc/02/31/69/335023169.db2.gz FOPUMDGZRFCQSE-SFTDATJTSA-N 1 2 321.420 2.863 20 30 DFEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000192227848 335023960 /nfs/dbraw/zinc/02/39/60/335023960.db2.gz PVBZRMGPLZEVHX-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000192227848 335023961 /nfs/dbraw/zinc/02/39/61/335023961.db2.gz PVBZRMGPLZEVHX-UHFFFAOYSA-N 1 2 302.399 2.892 20 30 DFEDLO C[C@H]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000601130483 399236126 /nfs/dbraw/zinc/23/61/26/399236126.db2.gz VRKZHFMSFASPBO-WFASDCNBSA-N 1 2 308.389 2.510 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000022318835 182317414 /nfs/dbraw/zinc/31/74/14/182317414.db2.gz GMBXPRVEPJPYSW-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000192227010 335024286 /nfs/dbraw/zinc/02/42/86/335024286.db2.gz GCJROYLHNUGLJY-SFHVURJKSA-N 1 2 312.438 2.827 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000192227010 335024287 /nfs/dbraw/zinc/02/42/87/335024287.db2.gz GCJROYLHNUGLJY-SFHVURJKSA-N 1 2 312.438 2.827 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(C#N)CC3(CC3)C1)C2 ZINC000601162236 399244778 /nfs/dbraw/zinc/24/47/78/399244778.db2.gz KSNAWFCACWLVGH-UHFFFAOYSA-N 1 2 312.417 2.512 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccc1CC#N)C2 ZINC000601162579 399244868 /nfs/dbraw/zinc/24/48/68/399244868.db2.gz RULIHDPAQMLNDI-UHFFFAOYSA-N 1 2 322.412 2.808 20 30 DFEDLO N#Cc1nccc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000601187662 399250459 /nfs/dbraw/zinc/25/04/59/399250459.db2.gz UQKCQIQSGWPCHP-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000285962026 335028292 /nfs/dbraw/zinc/02/82/92/335028292.db2.gz DHPWQLWDMWCZKM-UHFFFAOYSA-N 1 2 309.291 2.998 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000285962026 335028294 /nfs/dbraw/zinc/02/82/94/335028294.db2.gz DHPWQLWDMWCZKM-UHFFFAOYSA-N 1 2 309.291 2.998 20 30 DFEDLO COc1cc(Cl)ccc1[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601316546 399276472 /nfs/dbraw/zinc/27/64/72/399276472.db2.gz MFCDNXHQXVSRKS-CYBMUJFWSA-N 1 2 307.825 2.941 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCCCCO)c1C#N ZINC000619054234 399285933 /nfs/dbraw/zinc/28/59/33/399285933.db2.gz WVCPHUMECRSAKZ-UHFFFAOYSA-N 1 2 312.417 2.647 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCCCCO)c1C#N ZINC000619054234 399285936 /nfs/dbraw/zinc/28/59/36/399285936.db2.gz WVCPHUMECRSAKZ-UHFFFAOYSA-N 1 2 312.417 2.647 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000608783181 399295405 /nfs/dbraw/zinc/29/54/05/399295405.db2.gz SGLLBMVUPKYWDG-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO C=CCC1(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000619111398 399297074 /nfs/dbraw/zinc/29/70/74/399297074.db2.gz ZXCHWIPHRUNVFH-HZPDHXFCSA-N 1 2 308.466 2.881 20 30 DFEDLO C=CCC1(NC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000619111398 399297079 /nfs/dbraw/zinc/29/70/79/399297079.db2.gz ZXCHWIPHRUNVFH-HZPDHXFCSA-N 1 2 308.466 2.881 20 30 DFEDLO Cc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000609146048 399306400 /nfs/dbraw/zinc/30/64/00/399306400.db2.gz WPIOWFLGPBBTIE-GFCCVEGCSA-N 1 2 312.373 2.854 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609145908 399306753 /nfs/dbraw/zinc/30/67/53/399306753.db2.gz WEUUNLJBDWVUIS-AWEZNQCLSA-N 1 2 321.380 2.952 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609145908 399306755 /nfs/dbraw/zinc/30/67/55/399306755.db2.gz WEUUNLJBDWVUIS-AWEZNQCLSA-N 1 2 321.380 2.952 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCCc2ccccc2C1 ZINC000609288969 399312075 /nfs/dbraw/zinc/31/20/75/399312075.db2.gz LHAWHZWZGKNMIJ-UHFFFAOYSA-N 1 2 318.384 2.693 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)Nc1n[nH]cc1C#N ZINC000601637923 399312818 /nfs/dbraw/zinc/31/28/18/399312818.db2.gz CEZNGIKYBIFNLM-UHFFFAOYSA-N 1 2 322.372 2.612 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CCNc1nnc(C)c(C)c1C#N ZINC000609507986 399320830 /nfs/dbraw/zinc/32/08/30/399320830.db2.gz GZVUIYFRPPWSQN-UHFFFAOYSA-N 1 2 320.400 2.989 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615614 399326580 /nfs/dbraw/zinc/32/65/80/399326580.db2.gz HHPMFWYPMBNGOV-ZWNOBZJWSA-N 1 2 311.307 2.702 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCSCC2)c1C ZINC000051914835 425883420 /nfs/dbraw/zinc/88/34/20/425883420.db2.gz ZRKMOHAJNTXJCS-UHFFFAOYSA-N 1 2 317.458 2.599 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCCn3c(cc4ccccc43)C2)C1=O ZINC000286811388 335040057 /nfs/dbraw/zinc/04/00/57/335040057.db2.gz AGLLBGBAPNXSDZ-GOSISDBHSA-N 1 2 309.413 2.634 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCCn3c(cc4ccccc43)C2)C1=O ZINC000286811388 335040059 /nfs/dbraw/zinc/04/00/59/335040059.db2.gz AGLLBGBAPNXSDZ-GOSISDBHSA-N 1 2 309.413 2.634 20 30 DFEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nncn1C ZINC000273945924 211198742 /nfs/dbraw/zinc/19/87/42/211198742.db2.gz DXMVFNFLEGUTIF-LLVKDONJSA-N 1 2 308.307 2.536 20 30 DFEDLO Cc1cc(N2CC[C@@](F)(C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000615532024 399348787 /nfs/dbraw/zinc/34/87/87/399348787.db2.gz VABGWISVRZMGGW-OAHLLOKOSA-N 1 2 300.293 2.893 20 30 DFEDLO CC[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1ccncc1 ZINC000610279189 399353142 /nfs/dbraw/zinc/35/31/42/399353142.db2.gz CTRRPQOMEDTTDM-CQSZACIVSA-N 1 2 307.361 2.698 20 30 DFEDLO N#Cc1cccc(CNC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105119854 194075890 /nfs/dbraw/zinc/07/58/90/194075890.db2.gz QJAXYVHWKRKMDD-UHFFFAOYSA-N 1 2 323.400 2.645 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000610279880 399353406 /nfs/dbraw/zinc/35/34/06/399353406.db2.gz FVSNNVVTSZMMGS-GDBMZVCRSA-N 1 2 318.384 2.783 20 30 DFEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410216 399364849 /nfs/dbraw/zinc/36/48/49/399364849.db2.gz ITMQKHBEHBKPLQ-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410216 399364853 /nfs/dbraw/zinc/36/48/53/399364853.db2.gz ITMQKHBEHBKPLQ-FZMZJTMJSA-N 1 2 314.307 2.589 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105806020 194133621 /nfs/dbraw/zinc/13/36/21/194133621.db2.gz RPGXKCLFAZWTKG-UHFFFAOYSA-N 1 2 311.364 2.564 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610505054 399374582 /nfs/dbraw/zinc/37/45/82/399374582.db2.gz XGYYKOAJVLAJND-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610505054 399374586 /nfs/dbraw/zinc/37/45/86/399374586.db2.gz XGYYKOAJVLAJND-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3ccc(C#N)s3)[nH+]c12 ZINC000610523134 399377314 /nfs/dbraw/zinc/37/73/14/399377314.db2.gz PUKNQFJVIUICAL-UHFFFAOYSA-N 1 2 310.382 2.548 20 30 DFEDLO N#Cc1cccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000106528900 194224933 /nfs/dbraw/zinc/22/49/33/194224933.db2.gz DXDLNZSYRYAOBH-HNNXBMFYSA-N 1 2 309.373 2.718 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000619720095 399382141 /nfs/dbraw/zinc/38/21/41/399382141.db2.gz ACUDCYZQZZNSTE-MRXNPFEDSA-N 1 2 307.365 2.534 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(Br)cc1C ZINC000619722602 399383551 /nfs/dbraw/zinc/38/35/51/399383551.db2.gz XPDGYPHHUJWPCK-ZDUSSCGKSA-N 1 2 312.207 2.917 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000619722602 399383553 /nfs/dbraw/zinc/38/35/53/399383553.db2.gz XPDGYPHHUJWPCK-ZDUSSCGKSA-N 1 2 312.207 2.917 20 30 DFEDLO N#Cc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1Cl ZINC000619763333 399388841 /nfs/dbraw/zinc/38/88/41/399388841.db2.gz GTXMVIVSMQTOOD-UHFFFAOYSA-N 1 2 324.771 2.718 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602085387 399392855 /nfs/dbraw/zinc/39/28/55/399392855.db2.gz LTPWOXIUUIMRFO-OAHLLOKOSA-N 1 2 312.373 2.989 20 30 DFEDLO N#Cc1ccc(N2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)nc1 ZINC000110512411 194336533 /nfs/dbraw/zinc/33/65/33/194336533.db2.gz GPAVZDRMARIKCX-UHFFFAOYSA-N 1 2 320.400 2.702 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602155570 399402268 /nfs/dbraw/zinc/40/22/68/399402268.db2.gz NQGVYOZWEZXTQX-NSHDSACASA-N 1 2 316.327 2.823 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000610770938 399404671 /nfs/dbraw/zinc/40/46/71/399404671.db2.gz IDKKKVYNKDMVIX-CYBMUJFWSA-N 1 2 319.368 2.766 20 30 DFEDLO N#CC1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCCC1 ZINC000602171078 399404318 /nfs/dbraw/zinc/40/43/18/399404318.db2.gz KISVIMDARYYOSW-NSHDSACASA-N 1 2 314.311 2.577 20 30 DFEDLO C[C@@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000610958749 399422078 /nfs/dbraw/zinc/42/20/78/399422078.db2.gz KGZUFVAUNDMWGB-CZUORRHYSA-N 1 2 323.400 2.693 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000602334473 399426435 /nfs/dbraw/zinc/42/64/35/399426435.db2.gz RXOMQRQCHHEKMG-MRXNPFEDSA-N 1 2 319.792 2.589 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)nn1 ZINC000623673055 399441073 /nfs/dbraw/zinc/44/10/73/399441073.db2.gz NRQTUWPXCCCDNC-ZDUSSCGKSA-N 1 2 316.405 2.722 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180274 399442880 /nfs/dbraw/zinc/44/28/80/399442880.db2.gz AVBXLDOPJGHSLF-LLVKDONJSA-N 1 2 305.328 2.616 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000602436695 399443662 /nfs/dbraw/zinc/44/36/62/399443662.db2.gz ZEVATHRZZUWVMH-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000602436695 399443666 /nfs/dbraw/zinc/44/36/66/399443666.db2.gz ZEVATHRZZUWVMH-UHFFFAOYSA-N 1 2 324.403 2.800 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000602428796 399441683 /nfs/dbraw/zinc/44/16/83/399441683.db2.gz KFDIFKYSBVRISA-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616302728 399447475 /nfs/dbraw/zinc/44/74/75/399447475.db2.gz JHBLBZMBMOGOCC-GVDBMIGSSA-N 1 2 309.413 2.827 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cn1)OCCO2 ZINC000602455233 399449023 /nfs/dbraw/zinc/44/90/23/399449023.db2.gz PVPJJIKRZHMGLB-UHFFFAOYSA-N 1 2 321.380 2.913 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cn1)OCCO2 ZINC000602455233 399449028 /nfs/dbraw/zinc/44/90/28/399449028.db2.gz PVPJJIKRZHMGLB-UHFFFAOYSA-N 1 2 321.380 2.913 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000602442721 399445522 /nfs/dbraw/zinc/44/55/22/399445522.db2.gz WLJXCSPBHUIULB-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000623800327 399468318 /nfs/dbraw/zinc/46/83/18/399468318.db2.gz DUFUYHAOGITSTE-AWEZNQCLSA-N 1 2 302.422 2.562 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(C#N)c1 ZINC000611389409 399469404 /nfs/dbraw/zinc/46/94/04/399469404.db2.gz VPXDTCBCDFYPFP-SECBINFHSA-N 1 2 310.279 2.897 20 30 DFEDLO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1F ZINC000611502118 399483110 /nfs/dbraw/zinc/48/31/10/399483110.db2.gz NQRRRAGWGXLXLC-GOEBONIOSA-N 1 2 303.381 2.613 20 30 DFEDLO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1F ZINC000611502118 399483113 /nfs/dbraw/zinc/48/31/13/399483113.db2.gz NQRRRAGWGXLXLC-GOEBONIOSA-N 1 2 303.381 2.613 20 30 DFEDLO Cc1ccncc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551101 399490531 /nfs/dbraw/zinc/49/05/31/399490531.db2.gz HUJXXJUTURXESJ-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO N#CC1(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000602643269 399500440 /nfs/dbraw/zinc/50/04/40/399500440.db2.gz PMAGNCJOHHUVCF-UHFFFAOYSA-N 1 2 300.587 2.891 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602643966 399500451 /nfs/dbraw/zinc/50/04/51/399500451.db2.gz IYEHLBGOHJZACT-IGQOVBAYSA-N 1 2 309.431 2.574 20 30 DFEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000120046026 195086607 /nfs/dbraw/zinc/08/66/07/195086607.db2.gz CWWHKROPSQBWFC-UHFFFAOYSA-N 1 2 322.821 2.682 20 30 DFEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000120046026 195086611 /nfs/dbraw/zinc/08/66/11/195086611.db2.gz CWWHKROPSQBWFC-UHFFFAOYSA-N 1 2 322.821 2.682 20 30 DFEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000120074275 195092513 /nfs/dbraw/zinc/09/25/13/195092513.db2.gz QLXOWGHKMFAECC-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000120074275 195092515 /nfs/dbraw/zinc/09/25/15/195092515.db2.gz QLXOWGHKMFAECC-UHFFFAOYSA-N 1 2 316.792 2.621 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 ZINC000602693891 399523253 /nfs/dbraw/zinc/52/32/53/399523253.db2.gz VYGXHPZQOIWJBR-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 ZINC000602693891 399523256 /nfs/dbraw/zinc/52/32/56/399523256.db2.gz VYGXHPZQOIWJBR-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)OCC ZINC000270209938 208278013 /nfs/dbraw/zinc/27/80/13/208278013.db2.gz RUIFNSMGKUCIDO-XHSDSOJGSA-N 1 2 305.422 2.664 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C(=O)OC(C)(C)C)n1 ZINC000602709253 399532700 /nfs/dbraw/zinc/53/27/00/399532700.db2.gz RIZBWCZNNOESBC-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C(=O)OC(C)(C)C)n1 ZINC000602709253 399532704 /nfs/dbraw/zinc/53/27/04/399532704.db2.gz RIZBWCZNNOESBC-CYBMUJFWSA-N 1 2 318.421 2.501 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602759065 399558324 /nfs/dbraw/zinc/55/83/24/399558324.db2.gz ORPNHJNETYRRPI-CYBMUJFWSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602759065 399558326 /nfs/dbraw/zinc/55/83/26/399558326.db2.gz ORPNHJNETYRRPI-CYBMUJFWSA-N 1 2 306.431 2.777 20 30 DFEDLO CC(C)c1noc([C@H](C)N2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000602777878 399568204 /nfs/dbraw/zinc/56/82/04/399568204.db2.gz VQXMQMHWRUHDBU-AWEZNQCLSA-N 1 2 317.437 2.565 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1Cl ZINC000157831242 197219097 /nfs/dbraw/zinc/21/90/97/197219097.db2.gz GFNAASFEXIUPLY-UHFFFAOYSA-N 1 2 308.809 2.569 20 30 DFEDLO Cc1c(Cl)cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000612079448 399574597 /nfs/dbraw/zinc/57/45/97/399574597.db2.gz JROZDLCASXEJMO-GFCCVEGCSA-N 1 2 301.781 2.953 20 30 DFEDLO Cc1c(Cl)cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000612079449 399575106 /nfs/dbraw/zinc/57/51/06/399575106.db2.gz JROZDLCASXEJMO-LBPRGKRZSA-N 1 2 301.781 2.953 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162825 399595717 /nfs/dbraw/zinc/59/57/17/399595717.db2.gz MXYKJPMRPSTOFM-QFBILLFUSA-N 1 2 313.445 2.668 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162825 399595720 /nfs/dbraw/zinc/59/57/20/399595720.db2.gz MXYKJPMRPSTOFM-QFBILLFUSA-N 1 2 313.445 2.668 20 30 DFEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166827 399596609 /nfs/dbraw/zinc/59/66/09/399596609.db2.gz ZLDZWXQPXXHFFE-KXBFYZLASA-N 1 2 311.429 2.585 20 30 DFEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166827 399596616 /nfs/dbraw/zinc/59/66/16/399596616.db2.gz ZLDZWXQPXXHFFE-KXBFYZLASA-N 1 2 311.429 2.585 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164474 399596760 /nfs/dbraw/zinc/59/67/60/399596760.db2.gz GNLYMAAASXSKTF-LPHOPBHVSA-N 1 2 313.445 2.968 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164474 399596769 /nfs/dbraw/zinc/59/67/69/399596769.db2.gz GNLYMAAASXSKTF-LPHOPBHVSA-N 1 2 313.445 2.968 20 30 DFEDLO C[C@]1(C#N)CCC[NH+](C/C=C/C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163096 399595851 /nfs/dbraw/zinc/59/58/51/399595851.db2.gz OANRFNSLVSRCRL-GVKUHWBJSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163096 399595854 /nfs/dbraw/zinc/59/58/54/399595854.db2.gz OANRFNSLVSRCRL-GVKUHWBJSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCCN(C/C=C/C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163096 399595860 /nfs/dbraw/zinc/59/58/60/399595860.db2.gz OANRFNSLVSRCRL-GVKUHWBJSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@]1(C#N)CCCN(C/C=C/C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612163096 399595863 /nfs/dbraw/zinc/59/58/63/399595863.db2.gz OANRFNSLVSRCRL-GVKUHWBJSA-N 1 2 300.450 2.794 20 30 DFEDLO C[C@@H]1C[NH+](Cc2cccc(OC(C)(C)C)n2)C[C@@H](C)N1CC#N ZINC000602853751 399602969 /nfs/dbraw/zinc/60/29/69/399602969.db2.gz LIVDLCCSEGKMBP-HUUCEWRRSA-N 1 2 316.449 2.677 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000288153409 335053351 /nfs/dbraw/zinc/05/33/51/335053351.db2.gz CGSBXXGOEXDNCZ-INIZCTEOSA-N 1 2 310.401 2.563 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000288153409 335053352 /nfs/dbraw/zinc/05/33/52/335053352.db2.gz CGSBXXGOEXDNCZ-INIZCTEOSA-N 1 2 310.401 2.563 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120359696 195151392 /nfs/dbraw/zinc/15/13/92/195151392.db2.gz UOMPPYIRTVFJAN-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120359696 195151394 /nfs/dbraw/zinc/15/13/94/195151394.db2.gz UOMPPYIRTVFJAN-CQSZACIVSA-N 1 2 319.380 2.796 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H](C)N1CC#N ZINC000602858038 399605113 /nfs/dbraw/zinc/60/51/13/399605113.db2.gz XXHWGVMSCQACCV-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H](C)N1CC#N ZINC000602858038 399605117 /nfs/dbraw/zinc/60/51/17/399605117.db2.gz XXHWGVMSCQACCV-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000602860696 399605913 /nfs/dbraw/zinc/60/59/13/399605913.db2.gz FIQZGUQYHPMDPR-SNVBAGLBSA-N 1 2 314.216 2.844 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000602862914 399607757 /nfs/dbraw/zinc/60/77/57/399607757.db2.gz MRSHFVRCHPNNOR-ZDUSSCGKSA-N 1 2 305.397 2.845 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000602865230 399607810 /nfs/dbraw/zinc/60/78/10/399607810.db2.gz VEFFPSDQUPGCMR-CHWSQXEVSA-N 1 2 303.431 2.796 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000602863237 399607980 /nfs/dbraw/zinc/60/79/80/399607980.db2.gz MAWGYKMBDMKAEV-JTQLQIEISA-N 1 2 314.216 2.844 20 30 DFEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)ccc1Br ZINC000602871131 399609840 /nfs/dbraw/zinc/60/98/40/399609840.db2.gz YJYCBWRDSSLUQR-QWRGUYRKSA-N 1 2 324.222 2.976 20 30 DFEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)c(Br)c1 ZINC000602868319 399609926 /nfs/dbraw/zinc/60/99/26/399609926.db2.gz JEKNDGJYFZLONN-SNVBAGLBSA-N 1 2 310.195 2.588 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602869315 399610005 /nfs/dbraw/zinc/61/00/05/399610005.db2.gz NLBSNXXTCPGEIV-CVEARBPZSA-N 1 2 312.417 2.830 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000602868792 399610283 /nfs/dbraw/zinc/61/02/83/399610283.db2.gz CVRJWNCJKVWVTG-TVQRCGJNSA-N 1 2 322.206 2.594 20 30 DFEDLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)CC#N)n2CC ZINC000602868991 399610355 /nfs/dbraw/zinc/61/03/55/399610355.db2.gz FFHFBTREDQPTQM-GFCCVEGCSA-N 1 2 314.389 2.625 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCOCC1 ZINC000120455052 195170723 /nfs/dbraw/zinc/17/07/23/195170723.db2.gz LDPJTDPOLXJTTD-KRWDZBQOSA-N 1 2 316.401 2.521 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCOCC1 ZINC000120455052 195170725 /nfs/dbraw/zinc/17/07/25/195170725.db2.gz LDPJTDPOLXJTTD-KRWDZBQOSA-N 1 2 316.401 2.521 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000120744811 195229267 /nfs/dbraw/zinc/22/92/67/195229267.db2.gz QRQSFIDPTZPRFB-UHFFFAOYSA-N 1 2 317.780 2.962 20 30 DFEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)ccc1C#N ZINC000289654759 221132331 /nfs/dbraw/zinc/13/23/31/221132331.db2.gz CLLUGCBTFBAZET-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)ccc1C#N ZINC000289654759 221132336 /nfs/dbraw/zinc/13/23/36/221132336.db2.gz CLLUGCBTFBAZET-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccco1 ZINC000602924274 399628988 /nfs/dbraw/zinc/62/89/88/399628988.db2.gz BZHSLVAVTUWLPO-SFHVURJKSA-N 1 2 323.396 2.851 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccco1 ZINC000602924274 399628989 /nfs/dbraw/zinc/62/89/89/399628989.db2.gz BZHSLVAVTUWLPO-SFHVURJKSA-N 1 2 323.396 2.851 20 30 DFEDLO COCCOc1ccc(C#N)cc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000296597777 533223567 /nfs/dbraw/zinc/22/35/67/533223567.db2.gz XHZUQJQJIIUJKV-DOMZBBRYSA-N 1 2 312.373 2.898 20 30 DFEDLO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000612526417 399670251 /nfs/dbraw/zinc/67/02/51/399670251.db2.gz YFVJQGNJGNZILI-NSHDSACASA-N 1 2 323.331 2.993 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602976012 399644004 /nfs/dbraw/zinc/64/40/04/399644004.db2.gz JTCILUVEBRUODI-MSOLQXFVSA-N 1 2 313.445 2.831 20 30 DFEDLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602976012 399644008 /nfs/dbraw/zinc/64/40/08/399644008.db2.gz JTCILUVEBRUODI-MSOLQXFVSA-N 1 2 313.445 2.831 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973760 399644077 /nfs/dbraw/zinc/64/40/77/399644077.db2.gz FDYPYONCWUTZIU-RDJZCZTQSA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973760 399644084 /nfs/dbraw/zinc/64/40/84/399644084.db2.gz FDYPYONCWUTZIU-RDJZCZTQSA-N 1 2 317.408 2.798 20 30 DFEDLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[C@H]1C#N ZINC000602979317 399646601 /nfs/dbraw/zinc/64/66/01/399646601.db2.gz BWRIKGTWZLPVOU-JENIJYKNSA-N 1 2 311.429 2.878 20 30 DFEDLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[C@H]1C#N ZINC000602979317 399646608 /nfs/dbraw/zinc/64/66/08/399646608.db2.gz BWRIKGTWZLPVOU-JENIJYKNSA-N 1 2 311.429 2.878 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799621 399648354 /nfs/dbraw/zinc/64/83/54/399648354.db2.gz ODYXDHAQOACFCB-DNVCBOLYSA-N 1 2 323.396 2.930 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799621 399648359 /nfs/dbraw/zinc/64/83/59/399648359.db2.gz ODYXDHAQOACFCB-DNVCBOLYSA-N 1 2 323.396 2.930 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)cc1 ZINC000289193463 335060543 /nfs/dbraw/zinc/06/05/43/335060543.db2.gz AXKNKMKAAMWBBR-REDKUUPNSA-N 1 2 319.470 2.820 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)cc1 ZINC000289193463 335060544 /nfs/dbraw/zinc/06/05/44/335060544.db2.gz AXKNKMKAAMWBBR-REDKUUPNSA-N 1 2 319.470 2.820 20 30 DFEDLO CC1CCN(c2ccc(CNc3cnc(C#N)cn3)c[nH+]2)CC1 ZINC000121634367 195320943 /nfs/dbraw/zinc/32/09/43/195320943.db2.gz LGPQXGVTYWOIHV-UHFFFAOYSA-N 1 2 308.389 2.592 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000121986627 195386552 /nfs/dbraw/zinc/38/65/52/195386552.db2.gz ONCHPKIMDVCDIX-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO C#Cc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000289394533 335062780 /nfs/dbraw/zinc/06/27/80/335062780.db2.gz NAGGRDGFBVJRJB-UHFFFAOYSA-N 1 2 319.408 2.522 20 30 DFEDLO C#CCOc1ccc(C[NH2+]Cc2csc(COC)n2)cc1 ZINC000289415243 335063054 /nfs/dbraw/zinc/06/30/54/335063054.db2.gz AQZTXOJDEBNKBC-UHFFFAOYSA-N 1 2 302.399 2.591 20 30 DFEDLO N#Cc1ccc(OC2CCC(Nc3cc(CO)cc[nH+]3)CC2)nc1 ZINC000603323242 399744224 /nfs/dbraw/zinc/74/42/24/399744224.db2.gz NURDIDKINCWACV-UHFFFAOYSA-N 1 2 324.384 2.643 20 30 DFEDLO COCc1cc(C#N)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000603323104 399744051 /nfs/dbraw/zinc/74/40/51/399744051.db2.gz ZEAUTLRWZUUQRQ-MRXNPFEDSA-N 1 2 308.385 2.790 20 30 DFEDLO CN(C(=O)NCCCC#N)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603429769 399773861 /nfs/dbraw/zinc/77/38/61/399773861.db2.gz BBXUZRXGHLPTKO-AWEZNQCLSA-N 1 2 315.352 2.583 20 30 DFEDLO C=C[C@@H](CO)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000289778112 335065228 /nfs/dbraw/zinc/06/52/28/335065228.db2.gz JHTHKHHIIZWJAZ-ZDUSSCGKSA-N 1 2 304.415 2.667 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000032509565 134681077 /nfs/dbraw/zinc/68/10/77/134681077.db2.gz ABFNTOIQVBMOSP-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621510639 399822146 /nfs/dbraw/zinc/82/21/46/399822146.db2.gz YTGMYRLONKHGPT-ZDUSSCGKSA-N 1 2 301.415 2.722 20 30 DFEDLO C=C(C)COCCNc1nc(C)[nH+]c(C)c1Br ZINC000322955369 543091374 /nfs/dbraw/zinc/09/13/74/543091374.db2.gz MFZXCGVMICPIIH-UHFFFAOYSA-N 1 2 300.200 2.861 20 30 DFEDLO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329139631 543100521 /nfs/dbraw/zinc/10/05/21/543100521.db2.gz IYFDUANHZGMPOI-KGLIPLIRSA-N 1 2 318.373 2.647 20 30 DFEDLO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000329139631 543100522 /nfs/dbraw/zinc/10/05/22/543100522.db2.gz IYFDUANHZGMPOI-KGLIPLIRSA-N 1 2 318.373 2.647 20 30 DFEDLO O=C(N[C@@H]1CCCc2sccc21)N1CCn2c[nH+]cc2C1 ZINC000329549600 543105890 /nfs/dbraw/zinc/10/58/90/543105890.db2.gz ABNFOMWFHBALOT-CYBMUJFWSA-N 1 2 302.403 2.752 20 30 DFEDLO C[C@H](CNC(=O)Nc1csc2ccccc12)[NH+]1CCOCC1 ZINC000329467868 543104549 /nfs/dbraw/zinc/10/45/49/543104549.db2.gz WXRFYXCZRFNKTI-GFCCVEGCSA-N 1 2 319.430 2.948 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc2ccnn2c1 ZINC000604549166 399854588 /nfs/dbraw/zinc/85/45/88/399854588.db2.gz JYRAHWHFGWNETO-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc2ccnn2c1 ZINC000604549166 399854593 /nfs/dbraw/zinc/85/45/93/399854593.db2.gz JYRAHWHFGWNETO-UHFFFAOYSA-N 1 2 323.356 2.826 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCCOC1CCCC1 ZINC000604559638 399856406 /nfs/dbraw/zinc/85/64/06/399856406.db2.gz GCGAPJOJPIFFNM-UHFFFAOYSA-N 1 2 314.393 2.501 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2c1cccc2F ZINC000604558413 399856501 /nfs/dbraw/zinc/85/65/01/399856501.db2.gz CAZDONVKNBCCNW-OAHLLOKOSA-N 1 2 322.347 2.978 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc([S@@](C)=O)cc1 ZINC000352826271 543232111 /nfs/dbraw/zinc/23/21/11/543232111.db2.gz DHZRSUAONZSPIH-CFMSYZGJSA-N 1 2 305.428 2.603 20 30 DFEDLO C=CC(C)(C)CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000630384660 399880231 /nfs/dbraw/zinc/88/02/31/399880231.db2.gz COPIDYFMSQBIHU-UHFFFAOYSA-N 1 2 309.377 2.620 20 30 DFEDLO C=CCC[C@@H](C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000633919804 399961065 /nfs/dbraw/zinc/96/10/65/399961065.db2.gz CPKDSLVEEZCQFF-ZWKOTPCHSA-N 1 2 316.445 2.525 20 30 DFEDLO C=CCC[C@@H](C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000633919804 399961067 /nfs/dbraw/zinc/96/10/67/399961067.db2.gz CPKDSLVEEZCQFF-ZWKOTPCHSA-N 1 2 316.445 2.525 20 30 DFEDLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000479404717 543399025 /nfs/dbraw/zinc/39/90/25/543399025.db2.gz GAJLTPGJPRQQOW-UHFFFAOYSA-N 1 2 316.364 2.776 20 30 DFEDLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000479404717 543399027 /nfs/dbraw/zinc/39/90/27/543399027.db2.gz GAJLTPGJPRQQOW-UHFFFAOYSA-N 1 2 316.364 2.776 20 30 DFEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000357537401 148027774 /nfs/dbraw/zinc/02/77/74/148027774.db2.gz PXFIFBWNDLIOKL-OAHLLOKOSA-N 1 2 310.313 2.519 20 30 DFEDLO Cc1nc(NCc2ccc(N(C)C)[nH+]c2)c(Cl)cc1C#N ZINC000359902284 148782597 /nfs/dbraw/zinc/78/25/97/148782597.db2.gz QWTIQDMFNXYWJM-UHFFFAOYSA-N 1 2 301.781 2.988 20 30 DFEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000361491965 149129560 /nfs/dbraw/zinc/12/95/60/149129560.db2.gz BVDJBEKNDYYNID-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO Cc1ccccc1-c1nc(C[NH2+]Cc2cc(C#N)n(C)c2)no1 ZINC000361583903 149157825 /nfs/dbraw/zinc/15/78/25/149157825.db2.gz DHBBGTJWIALSLF-UHFFFAOYSA-N 1 2 307.357 2.545 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000362899818 149392422 /nfs/dbraw/zinc/39/24/22/149392422.db2.gz DLRIYTYUJIIXGF-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000362899818 149392425 /nfs/dbraw/zinc/39/24/25/149392425.db2.gz DLRIYTYUJIIXGF-HNNXBMFYSA-N 1 2 311.410 2.749 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 ZINC000371454597 150048925 /nfs/dbraw/zinc/04/89/25/150048925.db2.gz APHIBQCFUGUMPS-BZNIZROVSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 ZINC000371454597 150048928 /nfs/dbraw/zinc/04/89/28/150048928.db2.gz APHIBQCFUGUMPS-BZNIZROVSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371924388 150113227 /nfs/dbraw/zinc/11/32/27/150113227.db2.gz TVYUGUOXGNFKDL-CYBMUJFWSA-N 1 2 324.359 2.947 20 30 DFEDLO Cc1nc([C@@H]2CCCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000372836405 150191060 /nfs/dbraw/zinc/19/10/60/150191060.db2.gz JITRFPAEDXTGTK-HNNXBMFYSA-N 1 2 322.372 2.625 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(C#N)c1 ZINC000373785974 150257119 /nfs/dbraw/zinc/25/71/19/150257119.db2.gz FTUNVQJPSUUNGM-UHFFFAOYSA-N 1 2 309.373 2.755 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374027290 150295463 /nfs/dbraw/zinc/29/54/63/150295463.db2.gz MTDVKZQCFRCJTB-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374027290 150295464 /nfs/dbraw/zinc/29/54/64/150295464.db2.gz MTDVKZQCFRCJTB-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000374328319 150345894 /nfs/dbraw/zinc/34/58/94/150345894.db2.gz SIPHVCLTYXESRU-GOSISDBHSA-N 1 2 323.371 2.793 20 30 DFEDLO Cc1cc(C)c(C#N)c(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000247944670 158153706 /nfs/dbraw/zinc/15/37/06/158153706.db2.gz VWNKOTKMBGXOAU-UHFFFAOYSA-N 1 2 304.357 2.763 20 30 DFEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)n1 ZINC000355096175 158273277 /nfs/dbraw/zinc/27/32/77/158273277.db2.gz AMALOMISMPSAFQ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)s2)cc1 ZINC000290284305 335070858 /nfs/dbraw/zinc/07/08/58/335070858.db2.gz XLVKGHNUEPDKQB-LBPRGKRZSA-N 1 2 301.415 2.963 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccc(OC)cc1 ZINC000054272269 425889523 /nfs/dbraw/zinc/88/95/23/425889523.db2.gz XJYDJLWNZTXBEV-UHFFFAOYSA-N 1 2 304.434 2.988 20 30 DFEDLO C=CC[N@H+](CC(=O)NC(C)(C)CC)Cc1ccc(OC)cc1 ZINC000054272269 425889524 /nfs/dbraw/zinc/88/95/24/425889524.db2.gz XJYDJLWNZTXBEV-UHFFFAOYSA-N 1 2 304.434 2.988 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)C1=O ZINC000668100267 543740158 /nfs/dbraw/zinc/74/01/58/543740158.db2.gz HEZZROWZPRZRPU-OAHLLOKOSA-N 1 2 318.392 2.586 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)C1=O ZINC000668100267 543740160 /nfs/dbraw/zinc/74/01/60/543740160.db2.gz HEZZROWZPRZRPU-OAHLLOKOSA-N 1 2 318.392 2.586 20 30 DFEDLO C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)CC1(C#N)CC1 ZINC000343318344 335073722 /nfs/dbraw/zinc/07/37/22/335073722.db2.gz GMXOLYWBTZWRQY-UHFFFAOYSA-N 1 2 310.300 2.752 20 30 DFEDLO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)CC1(C#N)CC1 ZINC000343318344 335073723 /nfs/dbraw/zinc/07/37/23/335073723.db2.gz GMXOLYWBTZWRQY-UHFFFAOYSA-N 1 2 310.300 2.752 20 30 DFEDLO C=C(C)[C@H](CO)Sc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000677130083 544438625 /nfs/dbraw/zinc/43/86/25/544438625.db2.gz CBMRGTUSTOMCDC-AWEZNQCLSA-N 1 2 312.398 2.845 20 30 DFEDLO CCOc1ccc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)cc1 ZINC000057876056 425896947 /nfs/dbraw/zinc/89/69/47/425896947.db2.gz NBSCOGGPJAMZGW-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(CO[NH+]=C(N)Cc2csc(C)n2)cc1F ZINC000063456869 425900537 /nfs/dbraw/zinc/90/05/37/425900537.db2.gz VUAWLTRAUZBWDU-UHFFFAOYSA-N 1 2 309.366 2.631 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000061891885 425899849 /nfs/dbraw/zinc/89/98/49/425899849.db2.gz LWLFYBTYPZZHGR-CABZTGNLSA-N 1 2 323.190 2.960 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559622 425905210 /nfs/dbraw/zinc/90/52/10/425905210.db2.gz PWMROEGCADZTOD-INIZCTEOSA-N 1 2 323.458 2.649 20 30 DFEDLO C=CC[N@H+](Cc1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559622 425905211 /nfs/dbraw/zinc/90/52/11/425905211.db2.gz PWMROEGCADZTOD-INIZCTEOSA-N 1 2 323.458 2.649 20 30 DFEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000066563921 425905291 /nfs/dbraw/zinc/90/52/91/425905291.db2.gz POMYTNNZTSFIDW-CYBMUJFWSA-N 1 2 320.462 2.615 20 30 DFEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000066563921 425905292 /nfs/dbraw/zinc/90/52/92/425905292.db2.gz POMYTNNZTSFIDW-CYBMUJFWSA-N 1 2 320.462 2.615 20 30 DFEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccn(C)n1 ZINC000459800619 269843796 /nfs/dbraw/zinc/84/37/96/269843796.db2.gz WSIJVEIUJSKCFS-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CCCCC#N ZINC000124473662 425921538 /nfs/dbraw/zinc/92/15/38/425921538.db2.gz JKOGBVJNZMUOPY-AWEZNQCLSA-N 1 2 314.307 2.944 20 30 DFEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CCCCC#N ZINC000124473662 425921540 /nfs/dbraw/zinc/92/15/40/425921540.db2.gz JKOGBVJNZMUOPY-AWEZNQCLSA-N 1 2 314.307 2.944 20 30 DFEDLO COc1ccnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000424312118 270000750 /nfs/dbraw/zinc/00/07/50/270000750.db2.gz WAQYZSMCLDLBCQ-INIZCTEOSA-N 1 2 308.385 2.914 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000532970172 270002588 /nfs/dbraw/zinc/00/25/88/270002588.db2.gz XBLRZXCACNSZJR-NHCYSSNCSA-N 1 2 321.446 2.921 20 30 DFEDLO N#Cc1cccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000531157587 270002688 /nfs/dbraw/zinc/00/26/88/270002688.db2.gz DXTQQDBATNWMSP-UHFFFAOYSA-N 1 2 316.364 2.603 20 30 DFEDLO C#CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000124738189 425935651 /nfs/dbraw/zinc/93/56/51/425935651.db2.gz AZKVREVPNIRSHM-QAPCUYQASA-N 1 2 323.396 2.618 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cscc1C#N)C2 ZINC000340254194 265928025 /nfs/dbraw/zinc/92/80/25/265928025.db2.gz NCTVNFJFKZVNDN-UHFFFAOYSA-N 1 2 314.414 2.675 20 30 DFEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)s1 ZINC000348838100 266102723 /nfs/dbraw/zinc/10/27/23/266102723.db2.gz MFGVLUXDSUTJCI-UHFFFAOYSA-N 1 2 305.447 2.844 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)s1 ZINC000348838100 266102728 /nfs/dbraw/zinc/10/27/28/266102728.db2.gz MFGVLUXDSUTJCI-UHFFFAOYSA-N 1 2 305.447 2.844 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000173933898 266379857 /nfs/dbraw/zinc/37/98/57/266379857.db2.gz AKINRVOAEDETTM-GFCCVEGCSA-N 1 2 307.419 2.534 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000173933898 266379860 /nfs/dbraw/zinc/37/98/60/266379860.db2.gz AKINRVOAEDETTM-GFCCVEGCSA-N 1 2 307.419 2.534 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H](CC)CN1C(C)=O ZINC000345915428 266380001 /nfs/dbraw/zinc/38/00/01/266380001.db2.gz UPHPNNKMPNRKCJ-QZTJIDSGSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H](CC)CN1C(C)=O ZINC000345915428 266380003 /nfs/dbraw/zinc/38/00/03/266380003.db2.gz UPHPNNKMPNRKCJ-QZTJIDSGSA-N 1 2 317.408 2.919 20 30 DFEDLO CCc1nnc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344079233 266458946 /nfs/dbraw/zinc/45/89/46/266458946.db2.gz ZOYNVTMLDYUSPQ-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO CCc1nnc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344079233 266458948 /nfs/dbraw/zinc/45/89/48/266458948.db2.gz ZOYNVTMLDYUSPQ-ZDUSSCGKSA-N 1 2 314.389 2.713 20 30 DFEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348922897 267004741 /nfs/dbraw/zinc/00/47/41/267004741.db2.gz WAPQGTVFGIDZQX-LBPRGKRZSA-N 1 2 322.372 2.535 20 30 DFEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348922897 267004743 /nfs/dbraw/zinc/00/47/43/267004743.db2.gz WAPQGTVFGIDZQX-LBPRGKRZSA-N 1 2 322.372 2.535 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000346980292 267014763 /nfs/dbraw/zinc/01/47/63/267014763.db2.gz VGHDEBPPNIJEED-ABAIWWIYSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1CO ZINC000346980292 267014766 /nfs/dbraw/zinc/01/47/66/267014766.db2.gz VGHDEBPPNIJEED-ABAIWWIYSA-N 1 2 323.234 2.914 20 30 DFEDLO CCC[N@H+](Cc1nc(C(=O)OC)co1)Cc1ccc(C#N)cc1 ZINC000450259118 267015592 /nfs/dbraw/zinc/01/55/92/267015592.db2.gz DMUQJJUNDXTGKT-UHFFFAOYSA-N 1 2 313.357 2.745 20 30 DFEDLO CCC[N@@H+](Cc1nc(C(=O)OC)co1)Cc1ccc(C#N)cc1 ZINC000450259118 267015596 /nfs/dbraw/zinc/01/55/96/267015596.db2.gz DMUQJJUNDXTGKT-UHFFFAOYSA-N 1 2 313.357 2.745 20 30 DFEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1occc1C ZINC000412023703 267054671 /nfs/dbraw/zinc/05/46/71/267054671.db2.gz DEFKLJLLIWIYEH-UHFFFAOYSA-N 1 2 311.385 2.598 20 30 DFEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1occc1C ZINC000412023703 267054674 /nfs/dbraw/zinc/05/46/74/267054674.db2.gz DEFKLJLLIWIYEH-UHFFFAOYSA-N 1 2 311.385 2.598 20 30 DFEDLO CC[N@H+](Cc1nc(C(=O)OC)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450286767 267072880 /nfs/dbraw/zinc/07/28/80/267072880.db2.gz PWZYXCUFQHMHRP-LBPRGKRZSA-N 1 2 313.357 2.916 20 30 DFEDLO CC[N@@H+](Cc1nc(C(=O)OC)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450286767 267072883 /nfs/dbraw/zinc/07/28/83/267072883.db2.gz PWZYXCUFQHMHRP-LBPRGKRZSA-N 1 2 313.357 2.916 20 30 DFEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc2O1 ZINC000342768096 267233782 /nfs/dbraw/zinc/23/37/82/267233782.db2.gz INHKEALGEXGTBH-ZDUSSCGKSA-N 1 2 304.353 2.993 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000178540081 267286904 /nfs/dbraw/zinc/28/69/04/267286904.db2.gz XLPHFSNAJSINII-UHFFFAOYSA-N 1 2 319.368 2.879 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000525949921 267295501 /nfs/dbraw/zinc/29/55/01/267295501.db2.gz XDXLJBNHLYMOFH-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO C[N@H+](CCC(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434830283 267305302 /nfs/dbraw/zinc/30/53/02/267305302.db2.gz IKSRGPKXYDOPPF-SNVBAGLBSA-N 1 2 317.336 2.609 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434830283 267305306 /nfs/dbraw/zinc/30/53/06/267305306.db2.gz IKSRGPKXYDOPPF-SNVBAGLBSA-N 1 2 317.336 2.609 20 30 DFEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000459434751 267310470 /nfs/dbraw/zinc/31/04/70/267310470.db2.gz UPZLDIUNCRWTOY-UHFFFAOYSA-N 1 2 317.389 2.984 20 30 DFEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000459434751 267310474 /nfs/dbraw/zinc/31/04/74/267310474.db2.gz UPZLDIUNCRWTOY-UHFFFAOYSA-N 1 2 317.389 2.984 20 30 DFEDLO CN(Cc1[nH+]ccn1C)c1nc2c(cc1C#N)CCCC2(C)C ZINC000428121723 267325007 /nfs/dbraw/zinc/32/50/07/267325007.db2.gz YBJFQEFBHBYXHV-UHFFFAOYSA-N 1 2 309.417 2.937 20 30 DFEDLO 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268171779 /nfs/dbraw/zinc/17/17/79/268171779.db2.gz GEXRJGADVWCSDG-UHFFFAOYSA-N 1 2 309.373 2.721 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC[C@H]3C3CCC3)o2)cc1 ZINC000519151428 268196254 /nfs/dbraw/zinc/19/62/54/268196254.db2.gz XZOYPKZYNIKMSQ-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC[C@H]3C3CCC3)o2)cc1 ZINC000519151428 268196257 /nfs/dbraw/zinc/19/62/57/268196257.db2.gz XZOYPKZYNIKMSQ-INIZCTEOSA-N 1 2 324.384 2.609 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000435910900 268221849 /nfs/dbraw/zinc/22/18/49/268221849.db2.gz ZDMIEDJOKDCMTL-UONOGXRCSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000435910900 268221851 /nfs/dbraw/zinc/22/18/51/268221851.db2.gz ZDMIEDJOKDCMTL-UONOGXRCSA-N 1 2 308.328 2.913 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3c[nH]nc3-c3nccs3)n2c1 ZINC000342861584 268224899 /nfs/dbraw/zinc/22/48/99/268224899.db2.gz RIKTUCOYIKCVDS-UHFFFAOYSA-N 1 2 321.369 2.665 20 30 DFEDLO N#Cc1cccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000363657714 268230736 /nfs/dbraw/zinc/23/07/36/268230736.db2.gz FFEIDILWYCKTKR-SNAWJCMRSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1cccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000363657714 268230738 /nfs/dbraw/zinc/23/07/38/268230738.db2.gz FFEIDILWYCKTKR-SNAWJCMRSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000341969635 268241446 /nfs/dbraw/zinc/24/14/46/268241446.db2.gz NHPWSXYDSBJSFY-UHFFFAOYSA-N 1 2 306.325 2.980 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000493487281 268268529 /nfs/dbraw/zinc/26/85/29/268268529.db2.gz FRPYIEJKKNVWCX-PYTPGESOSA-N 1 2 319.364 2.646 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000490576633 268269332 /nfs/dbraw/zinc/26/93/32/268269332.db2.gz NMCUGPCAMNYUML-FPLPWBNLSA-N 1 2 302.337 2.536 20 30 DFEDLO N#Cc1cnc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000339227160 268310493 /nfs/dbraw/zinc/31/04/93/268310493.db2.gz 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/nfs/dbraw/zinc/93/93/86/425939386.db2.gz QNOQDLWLWLMHIP-INIZCTEOSA-N 1 2 307.821 2.819 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000125602424 425981336 /nfs/dbraw/zinc/98/13/36/425981336.db2.gz JBCZDKUONFROQN-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000125602424 425981339 /nfs/dbraw/zinc/98/13/39/425981339.db2.gz JBCZDKUONFROQN-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158008145 425940726 /nfs/dbraw/zinc/94/07/26/425940726.db2.gz YPGGADDAVLVVOX-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158008145 425940729 /nfs/dbraw/zinc/94/07/29/425940729.db2.gz YPGGADDAVLVVOX-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000104146061 425959476 /nfs/dbraw/zinc/95/94/76/425959476.db2.gz CDMYVYJJOGREAP-LLVKDONJSA-N 1 2 324.475 2.880 20 30 DFEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000104146061 425959480 /nfs/dbraw/zinc/95/94/80/425959480.db2.gz CDMYVYJJOGREAP-LLVKDONJSA-N 1 2 324.475 2.880 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695045 425974454 /nfs/dbraw/zinc/97/44/54/425974454.db2.gz GEAFMGNKQHJMIF-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695045 425974456 /nfs/dbraw/zinc/97/44/56/425974456.db2.gz GEAFMGNKQHJMIF-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)CCCCC1 ZINC000125553400 425978175 /nfs/dbraw/zinc/97/81/75/425978175.db2.gz BOVWOYPWSVIFPB-MRXNPFEDSA-N 1 2 312.417 2.561 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)CCCCC1 ZINC000125553400 425978179 /nfs/dbraw/zinc/97/81/79/425978179.db2.gz BOVWOYPWSVIFPB-MRXNPFEDSA-N 1 2 312.417 2.561 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(CC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108866276 426023715 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C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126275625 426013097 /nfs/dbraw/zinc/01/30/97/426013097.db2.gz YNGMNUPVVSVXHU-GOSISDBHSA-N 1 2 314.429 2.569 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126275625 426013099 /nfs/dbraw/zinc/01/30/99/426013099.db2.gz YNGMNUPVVSVXHU-GOSISDBHSA-N 1 2 314.429 2.569 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1cnn2C ZINC000337904390 268573224 /nfs/dbraw/zinc/57/32/24/268573224.db2.gz AHJPSHYCSKHOSR-UHFFFAOYSA-N 1 2 320.400 2.898 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000076072871 426097834 /nfs/dbraw/zinc/09/78/34/426097834.db2.gz ASUTUYGXLSSULF-JSGCOSHPSA-N 1 2 303.431 2.713 20 30 DFEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CCS1 ZINC000076072871 426097836 /nfs/dbraw/zinc/09/78/36/426097836.db2.gz ASUTUYGXLSSULF-JSGCOSHPSA-N 1 2 303.431 2.713 20 30 DFEDLO C[NH+](C)[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000076947079 426119336 /nfs/dbraw/zinc/11/93/36/426119336.db2.gz RTZXAGXGFIUHKR-VIFPVBQESA-N 1 2 313.283 2.714 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128625046 426126339 /nfs/dbraw/zinc/12/63/39/426126339.db2.gz MWRWLSOTMIRPIG-CABCVRRESA-N 1 2 322.474 2.935 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000135050244 426204543 /nfs/dbraw/zinc/20/45/43/426204543.db2.gz WTARATYZCPBVJH-YJBOKZPZSA-N 1 2 301.434 2.889 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@H]1CCc2ccccc21 ZINC000114714629 426143417 /nfs/dbraw/zinc/14/34/17/426143417.db2.gz RXHWOHHNEFNQKR-KRWDZBQOSA-N 1 2 322.412 2.588 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@H]1CCc2ccccc21 ZINC000114714629 426143419 /nfs/dbraw/zinc/14/34/19/426143419.db2.gz RXHWOHHNEFNQKR-KRWDZBQOSA-N 1 2 322.412 2.588 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130135433 426147992 /nfs/dbraw/zinc/14/79/92/426147992.db2.gz QQNQIUMJLVUKGP-CXAGYDPISA-N 1 2 308.385 2.787 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000130176787 426149791 /nfs/dbraw/zinc/14/97/91/426149791.db2.gz XUELMXBQHBKZOF-CQSZACIVSA-N 1 2 319.426 2.916 20 30 DFEDLO C=CC[N@H+](Cc1c(C)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000130176787 426149793 /nfs/dbraw/zinc/14/97/93/426149793.db2.gz XUELMXBQHBKZOF-CQSZACIVSA-N 1 2 319.426 2.916 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000171702557 426205499 /nfs/dbraw/zinc/20/54/99/426205499.db2.gz PSVPJTIEEWCJKX-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000171702557 426205502 /nfs/dbraw/zinc/20/55/02/426205502.db2.gz PSVPJTIEEWCJKX-JTQLQIEISA-N 1 2 309.822 2.587 20 30 DFEDLO OC(=C[C@@H](c1ccccc1)C(F)(F)F)NC1=[NH+]CCS1 ZINC000078481932 426171296 /nfs/dbraw/zinc/17/12/96/426171296.db2.gz VLBLBWSDVFIDTB-JTQLQIEISA-N 1 2 302.321 2.942 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccc(F)cc3C2)CCCCC1 ZINC000133815095 426183713 /nfs/dbraw/zinc/18/37/13/426183713.db2.gz WEGJCZQCJJEWER-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccc(F)cc3C2)CCCCC1 ZINC000133815095 426183717 /nfs/dbraw/zinc/18/37/17/426183717.db2.gz WEGJCZQCJJEWER-UHFFFAOYSA-N 1 2 315.392 2.526 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134560840 426187232 /nfs/dbraw/zinc/18/72/32/426187232.db2.gz WLODDXDIFWHOFV-JKSUJKDBSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](SC)C1 ZINC000134560840 426187234 /nfs/dbraw/zinc/18/72/34/426187234.db2.gz WLODDXDIFWHOFV-JKSUJKDBSA-N 1 2 318.442 2.990 20 30 DFEDLO N#CCCN(Cc1ccco1)Cc1[nH+]ccn1CC(F)(F)F ZINC000081518229 426222771 /nfs/dbraw/zinc/22/27/71/426222771.db2.gz JAPFJJQWLIVMRC-UHFFFAOYSA-N 1 2 312.295 2.954 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000118398274 426236109 /nfs/dbraw/zinc/23/61/09/426236109.db2.gz HFLREUOSFMTMAO-INIZCTEOSA-N 1 2 323.444 2.561 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000118398274 426236110 /nfs/dbraw/zinc/23/61/10/426236110.db2.gz HFLREUOSFMTMAO-INIZCTEOSA-N 1 2 323.444 2.561 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2[nH+]1 ZINC000175448085 426306395 /nfs/dbraw/zinc/30/63/95/426306395.db2.gz WVGTXVBERDENQG-UHFFFAOYSA-N 1 2 305.341 2.753 20 30 DFEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000120085115 426306556 /nfs/dbraw/zinc/30/65/56/426306556.db2.gz WRXUIZSYOBERTB-KFWWJZLASA-N 1 2 319.474 2.693 20 30 DFEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091981859 426347041 /nfs/dbraw/zinc/34/70/41/426347041.db2.gz XMZAQSCEFVLMDQ-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091981859 426347044 /nfs/dbraw/zinc/34/70/44/426347044.db2.gz XMZAQSCEFVLMDQ-MRXNPFEDSA-N 1 2 318.417 2.989 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000092936308 426352654 /nfs/dbraw/zinc/35/26/54/426352654.db2.gz YRZXNNFLFXECGN-UHFFFAOYSA-N 1 2 321.424 2.907 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000093416717 426355751 /nfs/dbraw/zinc/35/57/51/426355751.db2.gz RWGCVIYRIPYQFQ-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000093416717 426355754 /nfs/dbraw/zinc/35/57/54/426355754.db2.gz RWGCVIYRIPYQFQ-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N(C)CCC#N ZINC000153572722 426391953 /nfs/dbraw/zinc/39/19/53/426391953.db2.gz XCXKJCWZBYTGSS-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N(C)CCC#N ZINC000153572722 426391955 /nfs/dbraw/zinc/39/19/55/426391955.db2.gz XCXKJCWZBYTGSS-CYBMUJFWSA-N 1 2 307.825 2.922 20 30 DFEDLO CN(C)c1[nH+]cccc1N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000176780819 426413579 /nfs/dbraw/zinc/41/35/79/426413579.db2.gz YFOVLFQBOUMHPG-UHFFFAOYSA-N 1 2 308.385 2.615 20 30 DFEDLO C#CC[NH+]1CCC(C(=O)Nc2[nH]nc3c2cccc3Cl)CC1 ZINC000154380643 426438231 /nfs/dbraw/zinc/43/82/31/426438231.db2.gz BHERDKBRKJESRY-UHFFFAOYSA-N 1 2 316.792 2.500 20 30 DFEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177113670 426445004 /nfs/dbraw/zinc/44/50/04/426445004.db2.gz SLEVQCPTKZFXEB-OAHLLOKOSA-N 1 2 324.346 2.513 20 30 DFEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177113670 426445009 /nfs/dbraw/zinc/44/50/09/426445009.db2.gz SLEVQCPTKZFXEB-OAHLLOKOSA-N 1 2 324.346 2.513 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCCOc2cccc(C)c2)cs1 ZINC000123825472 426455089 /nfs/dbraw/zinc/45/50/89/426455089.db2.gz DRNRHWGAYZZQCW-UHFFFAOYSA-N 1 2 305.403 2.670 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4c(F)cccc4C3)n2c1 ZINC000123796039 426453929 /nfs/dbraw/zinc/45/39/29/426453929.db2.gz WPHLKRBVDRKGAR-UHFFFAOYSA-N 1 2 306.344 2.903 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4c(F)cccc4C3)n2c1 ZINC000123796039 426453933 /nfs/dbraw/zinc/45/39/33/426453933.db2.gz WPHLKRBVDRKGAR-UHFFFAOYSA-N 1 2 306.344 2.903 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000155080737 426463424 /nfs/dbraw/zinc/46/34/24/426463424.db2.gz ULBQPNHDSAXBFK-INIZCTEOSA-N 1 2 301.365 2.557 20 30 DFEDLO C=C(Cl)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155166278 426465212 /nfs/dbraw/zinc/46/52/12/426465212.db2.gz XEJAVRIWQKNXGQ-CYBMUJFWSA-N 1 2 300.855 2.806 20 30 DFEDLO C=C(Cl)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155166278 426465215 /nfs/dbraw/zinc/46/52/15/426465215.db2.gz XEJAVRIWQKNXGQ-CYBMUJFWSA-N 1 2 300.855 2.806 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000155232849 426466052 /nfs/dbraw/zinc/46/60/52/426466052.db2.gz SUDXZEILKCQKTK-STQMWFEESA-N 1 2 319.405 2.512 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000155232849 426466054 /nfs/dbraw/zinc/46/60/54/426466054.db2.gz SUDXZEILKCQKTK-STQMWFEESA-N 1 2 319.405 2.512 20 30 DFEDLO C[C@H](CNC(=O)c1cccc(SCC#N)c1)Cn1cc[nH+]c1 ZINC000177307796 426466365 /nfs/dbraw/zinc/46/63/65/426466365.db2.gz QHCYDRZBQWVOEE-CYBMUJFWSA-N 1 2 314.414 2.565 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000101564161 426484908 /nfs/dbraw/zinc/48/49/08/426484908.db2.gz PHJUYWMCYGHDME-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000101564161 426484909 /nfs/dbraw/zinc/48/49/09/426484909.db2.gz PHJUYWMCYGHDME-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccccn1 ZINC000195501663 426531240 /nfs/dbraw/zinc/53/12/40/426531240.db2.gz QTQCPEVLFCQRIK-UHFFFAOYSA-N 1 2 324.413 2.796 20 30 DFEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000186296418 426501004 /nfs/dbraw/zinc/50/10/04/426501004.db2.gz OECBTZHKMSZHOM-UHFFFAOYSA-N 1 2 321.424 2.890 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000186296394 426501016 /nfs/dbraw/zinc/50/10/16/426501016.db2.gz HJCCBAZEUXPQNN-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000186296394 426501019 /nfs/dbraw/zinc/50/10/19/426501019.db2.gz HJCCBAZEUXPQNN-GOSISDBHSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C#N)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000186314007 426503889 /nfs/dbraw/zinc/50/38/89/426503889.db2.gz IANGSKOGFSYMRY-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1C#N ZINC000195177607 426504881 /nfs/dbraw/zinc/50/48/81/426504881.db2.gz RGDHTKPTHYRUBL-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO N#CCOc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000264533792 426568466 /nfs/dbraw/zinc/56/84/66/426568466.db2.gz FEAMJPGBXMIKRT-HNNXBMFYSA-N 1 2 315.398 2.619 20 30 DFEDLO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000264533792 426568469 /nfs/dbraw/zinc/56/84/69/426568469.db2.gz FEAMJPGBXMIKRT-HNNXBMFYSA-N 1 2 315.398 2.619 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000265327395 426619705 /nfs/dbraw/zinc/61/97/05/426619705.db2.gz VAMOPQTWEOILIK-AWEZNQCLSA-N 1 2 302.422 2.836 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000264498969 426563082 /nfs/dbraw/zinc/56/30/82/426563082.db2.gz FVSGWAFCNXDDIS-HVOBPNNYSA-N 1 2 320.389 2.916 20 30 DFEDLO CC1=C(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000280784361 426654361 /nfs/dbraw/zinc/65/43/61/426654361.db2.gz QIJXAAVVMREXBJ-AWEZNQCLSA-N 1 2 301.415 2.767 20 30 DFEDLO CC1=C(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000280784361 426654365 /nfs/dbraw/zinc/65/43/65/426654365.db2.gz QIJXAAVVMREXBJ-AWEZNQCLSA-N 1 2 301.415 2.767 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000290014508 426679693 /nfs/dbraw/zinc/67/96/93/426679693.db2.gz AMLGIYPPEZPFJO-RYUDHWBXSA-N 1 2 310.335 2.702 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(F)C(F)(F)F)C(C)C ZINC000290014508 426679696 /nfs/dbraw/zinc/67/96/96/426679696.db2.gz AMLGIYPPEZPFJO-RYUDHWBXSA-N 1 2 310.335 2.702 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000281331535 426715486 /nfs/dbraw/zinc/71/54/86/426715486.db2.gz LIDXFDPRUNJZJN-NSHDSACASA-N 1 2 318.343 2.942 20 30 DFEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000274141139 426717759 /nfs/dbraw/zinc/71/77/59/426717759.db2.gz CEXQXTNGPXVWBS-LBPRGKRZSA-N 1 2 313.854 2.889 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000281542491 426721565 /nfs/dbraw/zinc/72/15/65/426721565.db2.gz ZKCRCACKJHPBDF-WBVHZDCISA-N 1 2 316.449 2.825 20 30 DFEDLO CCOC(=O)C[N@H+](CCCSCC#N)Cc1ccccc1 ZINC000266718305 426767366 /nfs/dbraw/zinc/76/73/66/426767366.db2.gz JAUZOABOAGCGAK-UHFFFAOYSA-N 1 2 306.431 2.699 20 30 DFEDLO CCOC(=O)C[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000266718305 426767369 /nfs/dbraw/zinc/76/73/69/426767369.db2.gz JAUZOABOAGCGAK-UHFFFAOYSA-N 1 2 306.431 2.699 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000274284550 426737088 /nfs/dbraw/zinc/73/70/88/426737088.db2.gz WGXZIPPKZHZCML-CQSZACIVSA-N 1 2 323.356 2.800 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560121 426740319 /nfs/dbraw/zinc/74/03/19/426740319.db2.gz XBJPLXPDYIIBFD-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560121 426740324 /nfs/dbraw/zinc/74/03/24/426740324.db2.gz XBJPLXPDYIIBFD-DOMZBBRYSA-N 1 2 312.373 2.608 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245514302 426746343 /nfs/dbraw/zinc/74/63/43/426746343.db2.gz BMOMKEHJINKYEN-HOTGVXAUSA-N 1 2 323.387 2.928 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245514302 426746348 /nfs/dbraw/zinc/74/63/48/426746348.db2.gz BMOMKEHJINKYEN-HOTGVXAUSA-N 1 2 323.387 2.928 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCN1CC(F)F ZINC000179563447 426802640 /nfs/dbraw/zinc/80/26/40/426802640.db2.gz UVGXHSMSLBNUJO-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCN1CC(F)F ZINC000179563447 426802644 /nfs/dbraw/zinc/80/26/44/426802644.db2.gz UVGXHSMSLBNUJO-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO C[C@H](CNc1ccc(C(F)(F)F)cc1C#N)[NH+]1CCOCC1 ZINC000267016121 426812736 /nfs/dbraw/zinc/81/27/36/426812736.db2.gz IAIDCPKUXWLWTC-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@H](C1CC1)n1cc(NCc2c[nH+]c3ccc(C#N)cn23)cn1 ZINC000189249980 426832780 /nfs/dbraw/zinc/83/27/80/426832780.db2.gz IZSGXBJTNILJGI-GFCCVEGCSA-N 1 2 306.373 2.986 20 30 DFEDLO C#CC[N@@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000266922833 426796430 /nfs/dbraw/zinc/79/64/30/426796430.db2.gz MQAWLWNXPBDYAD-UHFFFAOYSA-N 1 2 314.288 2.660 20 30 DFEDLO C#CC[N@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000266922833 426796435 /nfs/dbraw/zinc/79/64/35/426796435.db2.gz MQAWLWNXPBDYAD-UHFFFAOYSA-N 1 2 314.288 2.660 20 30 DFEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2ncn(C)n2)ccc1OC ZINC000275789011 426918211 /nfs/dbraw/zinc/91/82/11/426918211.db2.gz ITBXLLFHPHKZOR-CYBMUJFWSA-N 1 2 316.405 2.629 20 30 DFEDLO C#CC[N@@H+](Cc1ccnn1CCCOC)Cc1ccc(F)cc1 ZINC000282809115 426923982 /nfs/dbraw/zinc/92/39/82/426923982.db2.gz OARYWWWVJQMBNW-UHFFFAOYSA-N 1 2 315.392 2.694 20 30 DFEDLO C#CC[N@H+](Cc1ccnn1CCCOC)Cc1ccc(F)cc1 ZINC000282809115 426923989 /nfs/dbraw/zinc/92/39/89/426923989.db2.gz OARYWWWVJQMBNW-UHFFFAOYSA-N 1 2 315.392 2.694 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(OC)c1 ZINC000282274074 426869338 /nfs/dbraw/zinc/86/93/38/426869338.db2.gz RLDQFTKUMDOGHV-JSGCOSHPSA-N 1 2 312.207 2.712 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(OC)c1 ZINC000282274074 426869339 /nfs/dbraw/zinc/86/93/39/426869339.db2.gz RLDQFTKUMDOGHV-JSGCOSHPSA-N 1 2 312.207 2.712 20 30 DFEDLO Cc1ccc2[nH+]c(CN(CCC#N)Cc3cccnc3)cn2c1 ZINC000267946969 426888272 /nfs/dbraw/zinc/88/82/72/426888272.db2.gz FNSQSMCXFUQBEG-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000328600985 426981609 /nfs/dbraw/zinc/98/16/09/426981609.db2.gz DSIDWMBUKQFDIB-SOUVJXGZSA-N 1 2 302.422 2.797 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1C1CCC1 ZINC000328609705 426981938 /nfs/dbraw/zinc/98/19/38/426981938.db2.gz NABWDHFJCRLDHH-GJZGRUSLSA-N 1 2 302.422 2.939 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])NCCc1cccs1)CCC2 ZINC000328651788 426983438 /nfs/dbraw/zinc/98/34/38/426983438.db2.gz JZVYZKBKHOIBSR-CYBMUJFWSA-N 1 2 318.446 2.877 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC([O-])=[NH+]CCc1cccs1)CCC2 ZINC000328651788 426983448 /nfs/dbraw/zinc/98/34/48/426983448.db2.gz JZVYZKBKHOIBSR-CYBMUJFWSA-N 1 2 318.446 2.877 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(C#N)s1 ZINC000181836103 426984968 /nfs/dbraw/zinc/98/49/68/426984968.db2.gz SUWKFXUOBNYSCA-GHMZBOCLSA-N 1 2 301.419 2.959 20 30 DFEDLO CCc1noc(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268147621 426927389 /nfs/dbraw/zinc/92/73/89/426927389.db2.gz LZYMQLIQVIFSSO-UHFFFAOYSA-N 1 2 324.428 2.735 20 30 DFEDLO CCc1noc(C)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268147621 426927396 /nfs/dbraw/zinc/92/73/96/426927396.db2.gz LZYMQLIQVIFSSO-UHFFFAOYSA-N 1 2 324.428 2.735 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268196844 426944350 /nfs/dbraw/zinc/94/43/50/426944350.db2.gz XUKWLCLBAZJDBG-UHFFFAOYSA-N 1 2 323.440 2.971 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC000328819521 427002187 /nfs/dbraw/zinc/00/21/87/427002187.db2.gz QLERJZUCYYLPQR-VXGBXAGGSA-N 1 2 318.421 2.961 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)[C@H]1C ZINC000328832301 427004474 /nfs/dbraw/zinc/00/44/74/427004474.db2.gz RMSYJDBBQVODOF-QKGCVVFFSA-N 1 2 307.438 2.818 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)[C@H]1C ZINC000328832301 427004478 /nfs/dbraw/zinc/00/44/78/427004478.db2.gz RMSYJDBBQVODOF-QKGCVVFFSA-N 1 2 307.438 2.818 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328856835 427004918 /nfs/dbraw/zinc/00/49/18/427004918.db2.gz YAGACVRVMMDTTK-OLZOCXBDSA-N 1 2 304.438 2.751 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000276216915 427008182 /nfs/dbraw/zinc/00/81/82/427008182.db2.gz 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ZINC000329234514 427071330 /nfs/dbraw/zinc/07/13/30/427071330.db2.gz HWBMLTXQJLKBQQ-CQSZACIVSA-N 1 2 319.405 2.753 20 30 DFEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000268641217 427077499 /nfs/dbraw/zinc/07/74/99/427077499.db2.gz DNAQIQIASIMBSM-CYBMUJFWSA-N 1 2 324.346 2.610 20 30 DFEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000268641217 427077503 /nfs/dbraw/zinc/07/75/03/427077503.db2.gz DNAQIQIASIMBSM-CYBMUJFWSA-N 1 2 324.346 2.610 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276474903 427078153 /nfs/dbraw/zinc/07/81/53/427078153.db2.gz QYQKYCQRIJNPDX-QGZVFWFLSA-N 1 2 324.428 2.906 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276474903 427078157 /nfs/dbraw/zinc/07/81/57/427078157.db2.gz QYQKYCQRIJNPDX-QGZVFWFLSA-N 1 2 324.428 2.906 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249280067 427104858 /nfs/dbraw/zinc/10/48/58/427104858.db2.gz NGWZEVIPPHQMEW-VQIMIIECSA-N 1 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C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329451690 427120223 /nfs/dbraw/zinc/12/02/23/427120223.db2.gz DXADKECVISFDEH-QWQRMKEZSA-N 1 2 319.449 2.979 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985517 427142263 /nfs/dbraw/zinc/14/22/63/427142263.db2.gz QLEUSSQUJUEBFI-YPENRWOSSA-N 1 2 304.459 2.829 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268985517 427142269 /nfs/dbraw/zinc/14/22/69/427142269.db2.gz QLEUSSQUJUEBFI-YPENRWOSSA-N 1 2 304.459 2.829 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000190670361 427157471 /nfs/dbraw/zinc/15/74/71/427157471.db2.gz KMBZPHZMJBSHNH-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n[nH]1 ZINC000190670361 427157477 /nfs/dbraw/zinc/15/74/77/427157477.db2.gz KMBZPHZMJBSHNH-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO N#Cc1cccc(NCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000152155718 271042769 /nfs/dbraw/zinc/04/27/69/271042769.db2.gz YHZRGUUQOVYEEZ-UHFFFAOYSA-N 1 2 317.352 2.795 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000156667822 271060784 /nfs/dbraw/zinc/06/07/84/271060784.db2.gz ZAKCMGFOZKWWFJ-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000156667822 271060788 /nfs/dbraw/zinc/06/07/88/271060788.db2.gz ZAKCMGFOZKWWFJ-UHFFFAOYSA-N 1 2 316.401 2.875 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333739298 271387947 /nfs/dbraw/zinc/38/79/47/271387947.db2.gz VMNZONQBEHZXQZ-PBHICJAKSA-N 1 2 318.442 2.520 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333739298 271387952 /nfs/dbraw/zinc/38/79/52/271387952.db2.gz VMNZONQBEHZXQZ-PBHICJAKSA-N 1 2 318.442 2.520 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333739706 271388312 /nfs/dbraw/zinc/38/83/12/271388312.db2.gz VMNZONQBEHZXQZ-YOEHRIQHSA-N 1 2 318.442 2.520 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333739706 271388316 /nfs/dbraw/zinc/38/83/16/271388316.db2.gz VMNZONQBEHZXQZ-YOEHRIQHSA-N 1 2 318.442 2.520 20 30 DFEDLO Cc1c(C#N)c(N[C@@H](C)C[NH+]2CCOCC2)nc2ccccc12 ZINC000296485658 427195703 /nfs/dbraw/zinc/19/57/03/427195703.db2.gz KTUWBMIEKHHHRC-ZDUSSCGKSA-N 1 2 310.401 2.548 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)nn1 ZINC000338231919 427205025 /nfs/dbraw/zinc/20/50/25/427205025.db2.gz BTZHYGPHXHLTGP-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)nn1 ZINC000338231919 427205034 /nfs/dbraw/zinc/20/50/34/427205034.db2.gz BTZHYGPHXHLTGP-UHFFFAOYSA-N 1 2 314.345 2.582 20 30 DFEDLO COc1ccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000338381665 427287649 /nfs/dbraw/zinc/28/76/49/427287649.db2.gz OUVHGLDCJYEAOG-LBPRGKRZSA-N 1 2 319.361 2.606 20 30 DFEDLO COc1ccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000338381665 427287658 /nfs/dbraw/zinc/28/76/58/427287658.db2.gz OUVHGLDCJYEAOG-LBPRGKRZSA-N 1 2 319.361 2.606 20 30 DFEDLO CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCC1 ZINC000330400573 427230469 /nfs/dbraw/zinc/23/04/69/427230469.db2.gz DYWLCLCGRNRTNT-UHFFFAOYSA-N 1 2 304.316 2.734 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000285456736 427236866 /nfs/dbraw/zinc/23/68/66/427236866.db2.gz YZKOPPPIFNDTDM-LBPRGKRZSA-N 1 2 314.776 2.955 20 30 DFEDLO CCOC(=O)N[C@@H](C/[NH+]=C\c1cc(OC)ccc1O)CC(C)C ZINC000255088717 427239830 /nfs/dbraw/zinc/23/98/30/427239830.db2.gz VHAACONLSIJIEQ-FNHQQPGVSA-N 1 2 322.405 2.981 20 30 DFEDLO CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330530707 427258522 /nfs/dbraw/zinc/25/85/22/427258522.db2.gz MBGGPGMKRFGWSH-NSHDSACASA-N 1 2 318.343 2.981 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OC)C1=O ZINC000338349506 427268281 /nfs/dbraw/zinc/26/82/81/427268281.db2.gz NSTARMBGDMOGHK-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OC)C1=O ZINC000338349506 427268288 /nfs/dbraw/zinc/26/82/88/427268288.db2.gz NSTARMBGDMOGHK-CQSZACIVSA-N 1 2 308.809 2.567 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1C ZINC000330583204 427269213 /nfs/dbraw/zinc/26/92/13/427269213.db2.gz VDDCUNRELVJMPU-GHMZBOCLSA-N 1 2 318.343 2.837 20 30 DFEDLO CC(C)C[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330589496 427270612 /nfs/dbraw/zinc/27/06/12/427270612.db2.gz NGSQFVVYGLJONZ-UHFFFAOYSA-N 1 2 321.377 2.725 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255475504 427271031 /nfs/dbraw/zinc/27/10/31/427271031.db2.gz XIQGZPOMBSNKGR-AJHXJQRKSA-N 1 2 308.385 2.894 20 30 DFEDLO CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330603978 427274074 /nfs/dbraw/zinc/27/40/74/427274074.db2.gz XWPAGZGQAXOROK-CKEIUWERSA-N 1 2 315.417 2.631 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000330619699 427274820 /nfs/dbraw/zinc/27/48/20/427274820.db2.gz ZMBJYMXEGDGFPI-RDTXWAMCSA-N 1 2 315.417 2.812 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000330619699 427274827 /nfs/dbraw/zinc/27/48/27/427274827.db2.gz ZMBJYMXEGDGFPI-RDTXWAMCSA-N 1 2 315.417 2.812 20 30 DFEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C#N)n(C)c2)c1C ZINC000191179853 427276778 /nfs/dbraw/zinc/27/67/78/427276778.db2.gz PMPORQLRLIDWNB-UHFFFAOYSA-N 1 2 310.401 2.584 20 30 DFEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C#N)n(C)c2)c1C ZINC000191179853 427276783 /nfs/dbraw/zinc/27/67/83/427276783.db2.gz PMPORQLRLIDWNB-UHFFFAOYSA-N 1 2 310.401 2.584 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330773273 427302227 /nfs/dbraw/zinc/30/22/27/427302227.db2.gz FGYGRBHADAOPEM-ZDUSSCGKSA-N 1 2 301.390 2.648 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000330770432 427302619 /nfs/dbraw/zinc/30/26/19/427302619.db2.gz BHFWTASQDJYEQI-UHFFFAOYSA-N 1 2 321.446 2.763 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330868886 427311655 /nfs/dbraw/zinc/31/16/55/427311655.db2.gz YTYSODWVQLCBDU-NVBFEUDRSA-N 1 2 316.792 2.821 20 30 DFEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810099 427345681 /nfs/dbraw/zinc/34/56/81/427345681.db2.gz GGXKEVHLBWODFM-SUMWQHHRSA-N 1 2 319.836 2.507 20 30 DFEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285810099 427345688 /nfs/dbraw/zinc/34/56/88/427345688.db2.gz GGXKEVHLBWODFM-SUMWQHHRSA-N 1 2 319.836 2.507 20 30 DFEDLO CC#CC[N@@H+](CCOC)Cc1sccc1Br ZINC000191428355 427348532 /nfs/dbraw/zinc/34/85/32/427348532.db2.gz UIJONDORGMNWIM-UHFFFAOYSA-N 1 2 302.237 2.982 20 30 DFEDLO CC#CC[N@H+](CCOC)Cc1sccc1Br ZINC000191428355 427348539 /nfs/dbraw/zinc/34/85/39/427348539.db2.gz UIJONDORGMNWIM-UHFFFAOYSA-N 1 2 302.237 2.982 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277704465 427291777 /nfs/dbraw/zinc/29/17/77/427291777.db2.gz HYAWGOKALRHKNK-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277704465 427291783 /nfs/dbraw/zinc/29/17/83/427291783.db2.gz HYAWGOKALRHKNK-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC(C)(C)C)CCO1 ZINC000331210697 427369721 /nfs/dbraw/zinc/36/97/21/427369721.db2.gz XXNVTKOEQNMBLX-OCCSQVGLSA-N 1 2 308.426 2.580 20 30 DFEDLO CCc1ccc(CC)c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000331254697 427383917 /nfs/dbraw/zinc/38/39/17/427383917.db2.gz UDUQTVJJLDRZCU-CQSZACIVSA-N 1 2 319.449 2.858 20 30 DFEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260243 427386515 /nfs/dbraw/zinc/38/65/15/427386515.db2.gz APSNQTANBXHTLE-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331260243 427386518 /nfs/dbraw/zinc/38/65/18/427386518.db2.gz APSNQTANBXHTLE-IUODEOHRSA-N 1 2 312.373 2.608 20 30 DFEDLO COC(=O)[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000331300130 427396947 /nfs/dbraw/zinc/39/69/47/427396947.db2.gz DRGTVBGYTIYFGB-SMDDNHRTSA-N 1 2 319.405 2.683 20 30 DFEDLO C#CCCCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297872660 427474793 /nfs/dbraw/zinc/47/47/93/427474793.db2.gz IMPACSGNHNAHBX-INIZCTEOSA-N 1 2 310.401 2.944 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000191746891 427420035 /nfs/dbraw/zinc/42/00/35/427420035.db2.gz FAYPSNHRONLKKY-INIZCTEOSA-N 1 2 316.405 2.721 20 30 DFEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000191746891 427420041 /nfs/dbraw/zinc/42/00/41/427420041.db2.gz FAYPSNHRONLKKY-INIZCTEOSA-N 1 2 316.405 2.721 20 30 DFEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]c2ccccn12 ZINC000184320835 427436430 /nfs/dbraw/zinc/43/64/30/427436430.db2.gz MVHHMGONIRIVOR-UHFFFAOYSA-N 1 2 322.368 2.843 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000192222264 427504224 /nfs/dbraw/zinc/50/42/24/427504224.db2.gz LDRULSHZLOTXPU-SFHVURJKSA-N 1 2 308.381 2.940 20 30 DFEDLO C#CC[N@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000192222264 427504229 /nfs/dbraw/zinc/50/42/29/427504229.db2.gz LDRULSHZLOTXPU-SFHVURJKSA-N 1 2 308.381 2.940 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NCC(F)(F)F ZINC000298030057 427506414 /nfs/dbraw/zinc/50/64/14/427506414.db2.gz FHQBMVNIBOOCKN-NSHDSACASA-N 1 2 318.314 2.881 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NCC(F)(F)F ZINC000298030057 427506421 /nfs/dbraw/zinc/50/64/21/427506421.db2.gz FHQBMVNIBOOCKN-NSHDSACASA-N 1 2 318.314 2.881 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C#N)c1 ZINC000192247437 427507018 /nfs/dbraw/zinc/50/70/18/427507018.db2.gz UZZSEVRJQYDQTF-UHFFFAOYSA-N 1 2 310.401 2.870 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)(F)F ZINC000192138154 427489980 /nfs/dbraw/zinc/48/99/80/427489980.db2.gz MLNXXIVYJPQYMO-LLVKDONJSA-N 1 2 315.314 2.766 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)(F)F ZINC000192138154 427489988 /nfs/dbraw/zinc/48/99/88/427489988.db2.gz MLNXXIVYJPQYMO-LLVKDONJSA-N 1 2 315.314 2.766 20 30 DFEDLO CC(=O)NCC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(C)s1 ZINC000338953272 427586536 /nfs/dbraw/zinc/58/65/36/427586536.db2.gz KCMKWDVOUHIFPE-UHFFFAOYSA-N 1 2 317.414 2.660 20 30 DFEDLO CC(=O)NCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C)s1 ZINC000338953272 427586544 /nfs/dbraw/zinc/58/65/44/427586544.db2.gz KCMKWDVOUHIFPE-UHFFFAOYSA-N 1 2 317.414 2.660 20 30 DFEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C2CC2)O1 ZINC000279224776 427603831 /nfs/dbraw/zinc/60/38/31/427603831.db2.gz DFKFHXTYZFMTFD-BLLLJJGKSA-N 1 2 324.384 2.608 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C2CC2)O1 ZINC000279224776 427603836 /nfs/dbraw/zinc/60/38/36/427603836.db2.gz DFKFHXTYZFMTFD-BLLLJJGKSA-N 1 2 324.384 2.608 20 30 DFEDLO N#Cc1cnc(C[NH+]2CCC(OC3CCCCC3)CC2)nc1 ZINC000333594507 427653958 /nfs/dbraw/zinc/65/39/58/427653958.db2.gz VOUQISHYIWAPDB-UHFFFAOYSA-N 1 2 300.406 2.662 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(O)cccc2Cl)n1 ZINC000279404598 427664199 /nfs/dbraw/zinc/66/41/99/427664199.db2.gz MTJVLCPMTOCQHR-UHFFFAOYSA-N 1 2 303.793 2.897 20 30 DFEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000279480834 427684097 /nfs/dbraw/zinc/68/40/97/427684097.db2.gz GWTJAPDWLSRSIM-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C#N)cc1 ZINC000339540252 427790850 /nfs/dbraw/zinc/79/08/50/427790850.db2.gz OVIFXANGCJJASJ-CJNGLKHVSA-N 1 2 323.400 2.552 20 30 DFEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(C#N)cc1 ZINC000339540249 427790860 /nfs/dbraw/zinc/79/08/60/427790860.db2.gz OVIFXANGCJJASJ-BBRMVZONSA-N 1 2 323.400 2.552 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336859882 427764466 /nfs/dbraw/zinc/76/44/66/427764466.db2.gz LSHNUKIXQVFQSS-GFCCVEGCSA-N 1 2 319.371 2.801 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336859882 427764467 /nfs/dbraw/zinc/76/44/67/427764467.db2.gz LSHNUKIXQVFQSS-GFCCVEGCSA-N 1 2 319.371 2.801 20 30 DFEDLO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000336969186 427781311 /nfs/dbraw/zinc/78/13/11/427781311.db2.gz NKUVOWOYGUAZSE-BBRMVZONSA-N 1 2 324.384 2.701 20 30 DFEDLO COc1ccc([C@@H](Nc2cccc(C#N)n2)c2[nH+]ccn2C)cc1 ZINC000301272339 427785893 /nfs/dbraw/zinc/78/58/93/427785893.db2.gz KNFXEOGOGNGHFP-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000339198563 427727554 /nfs/dbraw/zinc/72/75/54/427727554.db2.gz LGYCPNDFRBKSPB-CQSZACIVSA-N 1 2 304.394 2.794 20 30 DFEDLO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000339198563 427727561 /nfs/dbraw/zinc/72/75/61/427727561.db2.gz LGYCPNDFRBKSPB-CQSZACIVSA-N 1 2 304.394 2.794 20 30 DFEDLO Cc1[nH]c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c[nH+]1 ZINC000339264909 427744303 /nfs/dbraw/zinc/74/43/03/427744303.db2.gz OVQUFLJMBFFKMO-UHFFFAOYSA-N 1 2 324.384 2.710 20 30 DFEDLO Cc1cc(NC[C@H]2CCN(CC(F)(F)F)C2)c(C#N)c(C)[nH+]1 ZINC000301645070 427811997 /nfs/dbraw/zinc/81/19/97/427811997.db2.gz CLSTYDUWZVMYSR-GFCCVEGCSA-N 1 2 312.339 2.866 20 30 DFEDLO Cc1cc(N2CCN(C(=O)CCC(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301756474 427821455 /nfs/dbraw/zinc/82/14/55/427821455.db2.gz DQSQCGCEJJKSFH-UHFFFAOYSA-N 1 2 314.433 2.655 20 30 DFEDLO Cc1cc(N[C@@H]2CCN(c3ncccc3F)C2)c(C#N)c(C)[nH+]1 ZINC000301773730 427823750 /nfs/dbraw/zinc/82/37/50/427823750.db2.gz KGNCDEYLEIQFAS-CYBMUJFWSA-N 1 2 311.364 2.795 20 30 DFEDLO Cc1nc(C[C@H]2CCCN(c3cc(C)[nH+]c(C)c3C#N)C2)no1 ZINC000301771988 427823817 /nfs/dbraw/zinc/82/38/17/427823817.db2.gz JQQQMTFPCVKIRL-CQSZACIVSA-N 1 2 311.389 2.721 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000339759169 427824021 /nfs/dbraw/zinc/82/40/21/427824021.db2.gz KRWOICKXYSTIDT-AWEZNQCLSA-N 1 2 302.443 2.859 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000339759169 427824023 /nfs/dbraw/zinc/82/40/23/427824023.db2.gz KRWOICKXYSTIDT-AWEZNQCLSA-N 1 2 302.443 2.859 20 30 DFEDLO N#Cc1ccc(OCCNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000301828219 427827929 /nfs/dbraw/zinc/82/79/29/427827929.db2.gz OCXIZIOYRDGOLK-UHFFFAOYSA-N 1 2 309.373 2.661 20 30 DFEDLO N#Cc1ccc(OCCNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000301828219 427827932 /nfs/dbraw/zinc/82/79/32/427827932.db2.gz OCXIZIOYRDGOLK-UHFFFAOYSA-N 1 2 309.373 2.661 20 30 DFEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349737567 427853655 /nfs/dbraw/zinc/85/36/55/427853655.db2.gz IOKGXCWXLPJTDR-RHSMWYFYSA-N 1 2 318.421 2.967 20 30 DFEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349737567 427853659 /nfs/dbraw/zinc/85/36/59/427853659.db2.gz IOKGXCWXLPJTDR-RHSMWYFYSA-N 1 2 318.421 2.967 20 30 DFEDLO N#Cc1nc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000302718119 427856189 /nfs/dbraw/zinc/85/61/89/427856189.db2.gz KDNDUCOHLPSWAT-UHFFFAOYSA-N 1 2 320.312 2.850 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3ccc(C#N)[nH]3)ccc2[nH+]1 ZINC000337363988 427865706 /nfs/dbraw/zinc/86/57/06/427865706.db2.gz IVYSDXJXKAPRMH-UHFFFAOYSA-N 1 2 305.341 2.753 20 30 DFEDLO C=CCC1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CCC1 ZINC000359489948 427873299 /nfs/dbraw/zinc/87/32/99/427873299.db2.gz ILYMZVWXKWZDCS-UHFFFAOYSA-N 1 2 309.413 3.509 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000337576358 427966307 /nfs/dbraw/zinc/96/63/07/427966307.db2.gz GLCSWRAAWHXXQR-HOCLYGCPSA-N 1 2 302.418 2.770 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000350389970 427938686 /nfs/dbraw/zinc/93/86/86/427938686.db2.gz JIQSPHAMEMTDMT-MWLCHTKSSA-N 1 2 310.300 2.799 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000345923130 427952107 /nfs/dbraw/zinc/95/21/07/427952107.db2.gz FGJWNYZBGPIITN-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000345923130 427952110 /nfs/dbraw/zinc/95/21/10/427952110.db2.gz FGJWNYZBGPIITN-UHFFFAOYSA-N 1 2 315.392 2.530 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000340196334 427952820 /nfs/dbraw/zinc/95/28/20/427952820.db2.gz HBFTVJFABSJZOM-UHFFFAOYSA-N 1 2 322.393 2.934 20 30 DFEDLO C=CCCC1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000356103025 428022719 /nfs/dbraw/zinc/02/27/19/428022719.db2.gz TXGOCNIKOGPSDD-HIFRSBDPSA-N 1 2 303.406 2.503 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)CC1CC1)C2 ZINC000369642220 428023715 /nfs/dbraw/zinc/02/37/15/428023715.db2.gz XCMQVCGSHUOUPQ-AWEZNQCLSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CC1CC1)CC2 ZINC000369642220 428023719 /nfs/dbraw/zinc/02/37/19/428023719.db2.gz XCMQVCGSHUOUPQ-AWEZNQCLSA-N 1 2 314.433 2.790 20 30 DFEDLO CC[C@H](O)C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356119921 428029907 /nfs/dbraw/zinc/02/99/07/428029907.db2.gz FYKULWVOWFNVCY-HNNXBMFYSA-N 1 2 301.415 2.788 20 30 DFEDLO CC[C@H](O)C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356119921 428029912 /nfs/dbraw/zinc/02/99/12/428029912.db2.gz FYKULWVOWFNVCY-HNNXBMFYSA-N 1 2 301.415 2.788 20 30 DFEDLO C=CCOc1cccnc1-c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356142035 428039644 /nfs/dbraw/zinc/03/96/44/428039644.db2.gz FHCBKGRCDQWOLM-UHFFFAOYSA-N 1 2 308.341 2.991 20 30 DFEDLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000369716128 428045067 /nfs/dbraw/zinc/04/50/67/428045067.db2.gz ZXBWJKCIDZHOBT-RHSMWYFYSA-N 1 2 308.385 2.787 20 30 DFEDLO C=CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369587691 428007358 /nfs/dbraw/zinc/00/73/58/428007358.db2.gz VIOBYUVXJARJFP-OAHLLOKOSA-N 1 2 320.437 2.547 20 30 DFEDLO C=CCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369587691 428007364 /nfs/dbraw/zinc/00/73/64/428007364.db2.gz VIOBYUVXJARJFP-OAHLLOKOSA-N 1 2 320.437 2.547 20 30 DFEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](F)C[C@@H]2C(N)=O)cc1 ZINC000346065971 428007734 /nfs/dbraw/zinc/00/77/34/428007734.db2.gz ICHVBUBWDWHVQG-FUHWJXTLSA-N 1 2 323.371 2.623 20 30 DFEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](F)C[C@@H]2C(N)=O)cc1 ZINC000346065971 428007737 /nfs/dbraw/zinc/00/77/37/428007737.db2.gz ICHVBUBWDWHVQG-FUHWJXTLSA-N 1 2 323.371 2.623 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413293889 428012584 /nfs/dbraw/zinc/01/25/84/428012584.db2.gz HSVXCEJKNLLJQC-KBPBESRZSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413293889 428012587 /nfs/dbraw/zinc/01/25/87/428012587.db2.gz HSVXCEJKNLLJQC-KBPBESRZSA-N 1 2 304.438 2.698 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369920334 428090525 /nfs/dbraw/zinc/09/05/25/428090525.db2.gz OKUWBHVAEYAUJH-RISCZKNCSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369920334 428090528 /nfs/dbraw/zinc/09/05/28/428090528.db2.gz OKUWBHVAEYAUJH-RISCZKNCSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369920335 428091289 /nfs/dbraw/zinc/09/12/89/428091289.db2.gz OKUWBHVAEYAUJH-SMDDNHRTSA-N 1 2 323.234 2.887 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369920335 428091294 /nfs/dbraw/zinc/09/12/94/428091294.db2.gz OKUWBHVAEYAUJH-SMDDNHRTSA-N 1 2 323.234 2.887 20 30 DFEDLO Cc1ccc2[nH+]c(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cn2c1 ZINC000341589620 428116908 /nfs/dbraw/zinc/11/69/08/428116908.db2.gz MZHQWSFCZFIKIR-UHFFFAOYSA-N 1 2 322.328 2.617 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(OC(F)F)c1 ZINC000360096651 428159675 /nfs/dbraw/zinc/15/96/75/428159675.db2.gz GTQSOXOFDCYFNL-UHFFFAOYSA-N 1 2 308.328 2.772 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOCC3(CC3)C2)c(OC(F)F)c1 ZINC000360096651 428159680 /nfs/dbraw/zinc/15/96/80/428159680.db2.gz GTQSOXOFDCYFNL-UHFFFAOYSA-N 1 2 308.328 2.772 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 ZINC000341710005 428165012 /nfs/dbraw/zinc/16/50/12/428165012.db2.gz VPCHQAFPQSZMEP-IAGOWNOFSA-N 1 2 322.412 2.760 20 30 DFEDLO Cc1ccnc(OC2CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000356411573 428166894 /nfs/dbraw/zinc/16/68/94/428166894.db2.gz LKIWUTNDJJHEPA-UHFFFAOYSA-N 1 2 314.414 2.762 20 30 DFEDLO CCN(CC)c1ccc(CNc2nccc(C#N)c2Cl)c[nH+]1 ZINC000341724273 428171275 /nfs/dbraw/zinc/17/12/75/428171275.db2.gz VGXLWVWCVUUSGV-UHFFFAOYSA-N 1 2 315.808 3.460 20 30 DFEDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356428095 428173493 /nfs/dbraw/zinc/17/34/93/428173493.db2.gz YUQBTSUUYVHHPQ-UHFFFAOYSA-N 1 2 323.322 2.728 20 30 DFEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356428095 428173496 /nfs/dbraw/zinc/17/34/96/428173496.db2.gz YUQBTSUUYVHHPQ-UHFFFAOYSA-N 1 2 323.322 2.728 20 30 DFEDLO CCCCNc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(N)[nH+]1 ZINC000341744653 428176994 /nfs/dbraw/zinc/17/69/94/428176994.db2.gz PSGMFFGJDZPWBX-GFCCVEGCSA-N 1 2 310.405 2.737 20 30 DFEDLO CCCCNc1cc(N[C@H](C)c2ccc(C#N)cc2)[nH+]c(N)n1 ZINC000341744653 428176999 /nfs/dbraw/zinc/17/69/99/428176999.db2.gz PSGMFFGJDZPWBX-GFCCVEGCSA-N 1 2 310.405 2.737 20 30 DFEDLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000360142984 428178414 /nfs/dbraw/zinc/17/84/14/428178414.db2.gz YYHZEJVQGVSSQK-DLBZAZTESA-N 1 2 300.402 2.889 20 30 DFEDLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000360142984 428178417 /nfs/dbraw/zinc/17/84/17/428178417.db2.gz YYHZEJVQGVSSQK-DLBZAZTESA-N 1 2 300.402 2.889 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cc2ccccc2)cc1 ZINC000414133438 428214070 /nfs/dbraw/zinc/21/40/70/428214070.db2.gz GSJYEDJJDXGHIG-LJQANCHMSA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cc2ccccc2)cc1 ZINC000414133438 428214074 /nfs/dbraw/zinc/21/40/74/428214074.db2.gz GSJYEDJJDXGHIG-LJQANCHMSA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1Cc1ccccc1 ZINC000414141237 428218158 /nfs/dbraw/zinc/21/81/58/428218158.db2.gz IGGXTWTYXGSJRN-IBGZPJMESA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Cc1ccccc1 ZINC000414141237 428218160 /nfs/dbraw/zinc/21/81/60/428218160.db2.gz IGGXTWTYXGSJRN-IBGZPJMESA-N 1 2 324.424 2.863 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488436 428221515 /nfs/dbraw/zinc/22/15/15/428221515.db2.gz PFVRCYXACJTKNZ-IAGOWNOFSA-N 1 2 315.392 2.964 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488436 428221522 /nfs/dbraw/zinc/22/15/22/428221522.db2.gz PFVRCYXACJTKNZ-IAGOWNOFSA-N 1 2 315.392 2.964 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000356477848 428196167 /nfs/dbraw/zinc/19/61/67/428196167.db2.gz PKVWIPMXWOPWRW-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000356477848 428196176 /nfs/dbraw/zinc/19/61/76/428196176.db2.gz PKVWIPMXWOPWRW-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO CC[N@@H+](CC(=O)NCCCSc1ccccc1)C[C@H](C)C#N ZINC000356481509 428198071 /nfs/dbraw/zinc/19/80/71/428198071.db2.gz TWSGBGBSQLHJBK-OAHLLOKOSA-N 1 2 319.474 2.767 20 30 DFEDLO CC[N@H+](CC(=O)NCCCSc1ccccc1)C[C@H](C)C#N ZINC000356481509 428198077 /nfs/dbraw/zinc/19/80/77/428198077.db2.gz TWSGBGBSQLHJBK-OAHLLOKOSA-N 1 2 319.474 2.767 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)c3cccc(C#N)c3)cn21 ZINC000360199398 428200802 /nfs/dbraw/zinc/20/08/02/428200802.db2.gz QCMDUGFOVNURCX-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO COCCOc1cc(C)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352821952 428263041 /nfs/dbraw/zinc/26/30/41/428263041.db2.gz BWYZAGPUMKJPSZ-UHFFFAOYSA-N 1 2 317.414 2.638 20 30 DFEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)C(=O)NCC1CCCCC1 ZINC000352832880 428270255 /nfs/dbraw/zinc/27/02/55/428270255.db2.gz HKBIWGQFLDZLGB-UHFFFAOYSA-N 1 2 320.462 2.579 20 30 DFEDLO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1nnc2ccccn21 ZINC000352838887 428273563 /nfs/dbraw/zinc/27/35/63/428273563.db2.gz GWRBFMGTPFEQAK-GFCCVEGCSA-N 1 2 312.402 2.688 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2ccnc(OC3CCC3)c2)n1 ZINC000352843438 428277630 /nfs/dbraw/zinc/27/76/30/428277630.db2.gz WNDIZHUCBJXUHX-UHFFFAOYSA-N 1 2 300.387 2.631 20 30 DFEDLO N#Cc1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370566468 428241687 /nfs/dbraw/zinc/24/16/87/428241687.db2.gz WNSPXNQXLHIVPR-CABCVRRESA-N 1 2 320.824 2.662 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2ccc(C#N)cc2)c1 ZINC000378375664 428380273 /nfs/dbraw/zinc/38/02/73/428380273.db2.gz GYCXZDSJOAIXQK-UHFFFAOYSA-N 1 2 316.364 2.889 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371374984 428384463 /nfs/dbraw/zinc/38/44/63/428384463.db2.gz STFAYWZYRPLPLZ-MRXNPFEDSA-N 1 2 311.389 2.757 20 30 DFEDLO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371374984 428384469 /nfs/dbraw/zinc/38/44/69/428384469.db2.gz STFAYWZYRPLPLZ-MRXNPFEDSA-N 1 2 311.389 2.757 20 30 DFEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2noc(CC)n2)cc1 ZINC000371381093 428386004 /nfs/dbraw/zinc/38/60/04/428386004.db2.gz CLUJLHZNQRENGR-INIZCTEOSA-N 1 2 311.385 2.981 20 30 DFEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2noc(CC)n2)cc1 ZINC000371381093 428386009 /nfs/dbraw/zinc/38/60/09/428386009.db2.gz CLUJLHZNQRENGR-INIZCTEOSA-N 1 2 311.385 2.981 20 30 DFEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)OCC ZINC000372452081 428448163 /nfs/dbraw/zinc/44/81/63/428448163.db2.gz VHOFRLIZYZNTKU-HOTGVXAUSA-N 1 2 317.433 2.538 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1 ZINC000372124579 428416579 /nfs/dbraw/zinc/41/65/79/428416579.db2.gz QCHSXIHSVAWONZ-GOSISDBHSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c1 ZINC000372124579 428416584 /nfs/dbraw/zinc/41/65/84/428416584.db2.gz QCHSXIHSVAWONZ-GOSISDBHSA-N 1 2 305.418 2.877 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000378540713 428423759 /nfs/dbraw/zinc/42/37/59/428423759.db2.gz CTWXJEGWHDQYJY-INIZCTEOSA-N 1 2 308.385 2.588 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342969710 428497574 /nfs/dbraw/zinc/49/75/74/428497574.db2.gz HNURVCJMFFNISQ-HNNXBMFYSA-N 1 2 305.422 2.852 20 30 DFEDLO CCc1nnc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c(C#N)c1CC ZINC000372741415 428499794 /nfs/dbraw/zinc/49/97/94/428499794.db2.gz NEYBOMLFZRHPIC-ZDUSSCGKSA-N 1 2 324.432 2.968 20 30 DFEDLO C=CCSCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000357377367 428505923 /nfs/dbraw/zinc/50/59/23/428505923.db2.gz QHZPGVSAPZUJFY-UHFFFAOYSA-N 1 2 316.430 2.591 20 30 DFEDLO C=CCC1(c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000347248387 428513206 /nfs/dbraw/zinc/51/32/06/428513206.db2.gz LTHRAKMEEKFCSJ-KBPBESRZSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCC1(c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000347248387 428513209 /nfs/dbraw/zinc/51/32/09/428513209.db2.gz LTHRAKMEEKFCSJ-KBPBESRZSA-N 1 2 303.406 2.993 20 30 DFEDLO CC#CCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000361641825 428586736 /nfs/dbraw/zinc/58/67/36/428586736.db2.gz DKHPYWHBARACMD-MRXNPFEDSA-N 1 2 324.428 2.932 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000373263363 428532692 /nfs/dbraw/zinc/53/26/92/428532692.db2.gz GYTTWQRGLSTCDH-YLFCFFPRSA-N 1 2 317.433 2.664 20 30 DFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357436960 428534645 /nfs/dbraw/zinc/53/46/45/428534645.db2.gz JYRWHSPICNTESN-LBPRGKRZSA-N 1 2 306.325 2.612 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347333070 428549904 /nfs/dbraw/zinc/54/99/04/428549904.db2.gz AMFOYYYQRVURBN-PBHICJAKSA-N 1 2 303.381 2.756 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347333070 428549908 /nfs/dbraw/zinc/54/99/08/428549908.db2.gz AMFOYYYQRVURBN-PBHICJAKSA-N 1 2 303.381 2.756 20 30 DFEDLO Cc1c(Cl)cnc(NCCc2cn3ccccc3[nH+]2)c1C#N ZINC000343504641 428552395 /nfs/dbraw/zinc/55/23/95/428552395.db2.gz HIOXNZMWSFAHIN-UHFFFAOYSA-N 1 2 311.776 3.217 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347351903 428560906 /nfs/dbraw/zinc/56/09/06/428560906.db2.gz NMIBNZUNISMQHI-BYLPVYNFSA-N 1 2 309.429 2.740 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](C)(F)C1 ZINC000347351903 428560911 /nfs/dbraw/zinc/56/09/11/428560911.db2.gz NMIBNZUNISMQHI-BYLPVYNFSA-N 1 2 309.429 2.740 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000361509897 428572193 /nfs/dbraw/zinc/57/21/93/428572193.db2.gz FKEAYJVPHXNQHK-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCOC2)O1 ZINC000361509897 428572198 /nfs/dbraw/zinc/57/21/98/428572198.db2.gz FKEAYJVPHXNQHK-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1F ZINC000361824109 428598358 /nfs/dbraw/zinc/59/83/58/428598358.db2.gz AXQKKSGEDCWYFV-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1F ZINC000361824109 428598364 /nfs/dbraw/zinc/59/83/64/428598364.db2.gz AXQKKSGEDCWYFV-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000373578197 428610618 /nfs/dbraw/zinc/61/06/18/428610618.db2.gz QLFXWEXBPRDGGT-IRXDYDNUSA-N 1 2 322.412 2.824 20 30 DFEDLO C=CC[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000373607358 428619315 /nfs/dbraw/zinc/61/93/15/428619315.db2.gz GNNCUMSMZMUZOW-SJORKVTESA-N 1 2 309.413 2.982 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000347707600 428621869 /nfs/dbraw/zinc/62/18/69/428621869.db2.gz QOIQRCSEUMYPMD-ZOBUZTSGSA-N 1 2 310.401 2.604 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000347696366 428622430 /nfs/dbraw/zinc/62/24/30/428622430.db2.gz WFCXSLRQVXMZRJ-MISXGVKJSA-N 1 2 323.343 2.897 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000347707598 428622798 /nfs/dbraw/zinc/62/27/98/428622798.db2.gz QOIQRCSEUMYPMD-YQQAZPJKSA-N 1 2 310.401 2.604 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373985815 428657879 /nfs/dbraw/zinc/65/78/79/428657879.db2.gz ZTKGTEPAYMNCIQ-AVGNSLFASA-N 1 2 304.228 2.553 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373985815 428657883 /nfs/dbraw/zinc/65/78/83/428657883.db2.gz ZTKGTEPAYMNCIQ-AVGNSLFASA-N 1 2 304.228 2.553 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(SCC#N)c1 ZINC000348299519 428700551 /nfs/dbraw/zinc/70/05/51/428700551.db2.gz GBSXAWGEXNYKII-UHFFFAOYSA-N 1 2 313.382 2.636 20 30 DFEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000348303638 428700991 /nfs/dbraw/zinc/70/09/91/428700991.db2.gz BUKHLZOGCYLVNN-DZGCQCFKSA-N 1 2 301.390 2.638 20 30 DFEDLO N#CCC[N@H+](CCCO[C@H]1CCCCO1)Cc1ccccn1 ZINC000358805210 428682800 /nfs/dbraw/zinc/68/28/00/428682800.db2.gz KDXUQJSIHVSURQ-KRWDZBQOSA-N 1 2 303.406 2.731 20 30 DFEDLO N#CCC[N@@H+](CCCO[C@H]1CCCCO1)Cc1ccccn1 ZINC000358805210 428682805 /nfs/dbraw/zinc/68/28/05/428682805.db2.gz KDXUQJSIHVSURQ-KRWDZBQOSA-N 1 2 303.406 2.731 20 30 DFEDLO C[C@@H]1CCC[C@H](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000362481030 428763646 /nfs/dbraw/zinc/76/36/46/428763646.db2.gz VSINEWDNSMENSQ-QZTJIDSGSA-N 1 2 307.482 2.751 20 30 DFEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccco3)CC2)CCCCC1 ZINC000411127513 428742645 /nfs/dbraw/zinc/74/26/45/428742645.db2.gz PZPVYBRTYJMJNJ-UHFFFAOYSA-N 1 2 315.417 2.902 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccoc1 ZINC000345090266 428747979 /nfs/dbraw/zinc/74/79/79/428747979.db2.gz KEWWRCPSBVEWGI-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccoc1 ZINC000345090266 428747984 /nfs/dbraw/zinc/74/79/84/428747984.db2.gz KEWWRCPSBVEWGI-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C=C[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000362678988 428799856 /nfs/dbraw/zinc/79/98/56/428799856.db2.gz HZTOXNRKWSAFMA-CYBMUJFWSA-N 1 2 300.362 2.658 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411477429 428801992 /nfs/dbraw/zinc/80/19/92/428801992.db2.gz QLXQAZLMKULENP-AWEZNQCLSA-N 1 2 301.390 2.512 20 30 DFEDLO Cc1cc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000416945926 428828423 /nfs/dbraw/zinc/82/84/23/428828423.db2.gz IEHAZXXNCOIRRT-QGZVFWFLSA-N 1 2 306.369 2.883 20 30 DFEDLO CCc1nnc([C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CCO2)o1 ZINC000411662358 428836537 /nfs/dbraw/zinc/83/65/37/428836537.db2.gz XGAHTZGWBPCBKX-AWEZNQCLSA-N 1 2 318.421 2.869 20 30 DFEDLO CCc1nnc([C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CCO2)o1 ZINC000411662358 428836545 /nfs/dbraw/zinc/83/65/45/428836545.db2.gz XGAHTZGWBPCBKX-AWEZNQCLSA-N 1 2 318.421 2.869 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nccs1 ZINC000411887009 428877305 /nfs/dbraw/zinc/87/73/05/428877305.db2.gz SUJWJQSFJFXSHO-ONGXEEELSA-N 1 2 318.427 2.532 20 30 DFEDLO C=CCOc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000354148111 428886779 /nfs/dbraw/zinc/88/67/79/428886779.db2.gz HLVPKEJDBMQZRW-UHFFFAOYSA-N 1 2 323.440 2.964 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1cccs1 ZINC000363285299 428898757 /nfs/dbraw/zinc/89/87/57/428898757.db2.gz ICZJVARAQRJCHI-CYBMUJFWSA-N 1 2 323.487 2.600 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1c1cccs1 ZINC000363285299 428898760 /nfs/dbraw/zinc/89/87/60/428898760.db2.gz ICZJVARAQRJCHI-CYBMUJFWSA-N 1 2 323.487 2.600 20 30 DFEDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000412086352 428945145 /nfs/dbraw/zinc/94/51/45/428945145.db2.gz OLWYKIWPTNKTEQ-WCQYABFASA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000412086352 428945153 /nfs/dbraw/zinc/94/51/53/428945153.db2.gz OLWYKIWPTNKTEQ-WCQYABFASA-N 1 2 323.234 2.914 20 30 DFEDLO COc1cc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)ccc1C#N ZINC000420838562 428964975 /nfs/dbraw/zinc/96/49/75/428964975.db2.gz JAAAFAALKGDHQA-UHFFFAOYSA-N 1 2 324.384 2.578 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1=O ZINC000451976517 429030089 /nfs/dbraw/zinc/03/00/89/429030089.db2.gz YKSLFUVZWJDVSF-HZPDHXFCSA-N 1 2 306.356 2.889 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1=O ZINC000451976517 429030092 /nfs/dbraw/zinc/03/00/92/429030092.db2.gz YKSLFUVZWJDVSF-HZPDHXFCSA-N 1 2 306.356 2.889 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000349379514 428979584 /nfs/dbraw/zinc/97/95/84/428979584.db2.gz ZSNRFPCTYIVCLU-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000349379514 428979586 /nfs/dbraw/zinc/97/95/86/428979586.db2.gz ZSNRFPCTYIVCLU-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000349379514 428979592 /nfs/dbraw/zinc/97/95/92/428979592.db2.gz ZSNRFPCTYIVCLU-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO C=CCOCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421231301 428988260 /nfs/dbraw/zinc/98/82/60/428988260.db2.gz WYBMPMMJNQPULU-UHFFFAOYSA-N 1 2 307.459 2.955 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000433780989 429049358 /nfs/dbraw/zinc/04/93/58/429049358.db2.gz DNMGEQJEFCPAPQ-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO N#Cc1nnc2ccccc2c1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000433780989 429049361 /nfs/dbraw/zinc/04/93/61/429049361.db2.gz DNMGEQJEFCPAPQ-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000376335116 429096714 /nfs/dbraw/zinc/09/67/14/429096714.db2.gz RWQSGZISSNTDIA-YOEHRIQHSA-N 1 2 322.412 2.927 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1C ZINC000452104790 429058150 /nfs/dbraw/zinc/05/81/50/429058150.db2.gz KUSLTJSUYVQXEK-SJORKVTESA-N 1 2 316.445 2.830 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1C ZINC000452104790 429058152 /nfs/dbraw/zinc/05/81/52/429058152.db2.gz KUSLTJSUYVQXEK-SJORKVTESA-N 1 2 316.445 2.830 20 30 DFEDLO COC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108977 429059036 /nfs/dbraw/zinc/05/90/36/429059036.db2.gz VTAFKBOXBFZOAO-PBHICJAKSA-N 1 2 316.401 2.521 20 30 DFEDLO COC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000452108977 429059038 /nfs/dbraw/zinc/05/90/38/429059038.db2.gz VTAFKBOXBFZOAO-PBHICJAKSA-N 1 2 316.401 2.521 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000424063250 429086273 /nfs/dbraw/zinc/08/62/73/429086273.db2.gz IJOKXWGZTUYXSA-KBPBESRZSA-N 1 2 311.389 2.546 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000435587450 429150390 /nfs/dbraw/zinc/15/03/90/429150390.db2.gz DEGZUUDDCJFTEA-GUYCJALGSA-N 1 2 313.401 3.340 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000376635548 429152433 /nfs/dbraw/zinc/15/24/33/429152433.db2.gz XFBJTTNDCBSDSY-HNNXBMFYSA-N 1 2 323.400 2.790 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424563696 429153928 /nfs/dbraw/zinc/15/39/28/429153928.db2.gz ORWSEWQCGVQZJU-QGZVFWFLSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424563696 429153933 /nfs/dbraw/zinc/15/39/33/429153933.db2.gz ORWSEWQCGVQZJU-QGZVFWFLSA-N 1 2 316.445 2.606 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000424171572 429104221 /nfs/dbraw/zinc/10/42/21/429104221.db2.gz LXLTYQKZAKAWLU-UHFFFAOYSA-N 1 2 321.306 2.644 20 30 DFEDLO Cc1c2c(nc(SCC[N@@H+]3CCO[C@H](C)C3)c1C#N)CCC2 ZINC000412985824 429118913 /nfs/dbraw/zinc/11/89/13/429118913.db2.gz GIGWASGZTRQHFK-GFCCVEGCSA-N 1 2 317.458 2.563 20 30 DFEDLO Cc1c2c(nc(SCC[N@H+]3CCO[C@H](C)C3)c1C#N)CCC2 ZINC000412985824 429118916 /nfs/dbraw/zinc/11/89/16/429118916.db2.gz GIGWASGZTRQHFK-GFCCVEGCSA-N 1 2 317.458 2.563 20 30 DFEDLO CC(=Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336923 429130854 /nfs/dbraw/zinc/13/08/54/429130854.db2.gz RVKYTIFAVJNTJM-YHYXMXQVSA-N 1 2 323.381 2.758 20 30 DFEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)ccc1C#N ZINC000488233456 429179155 /nfs/dbraw/zinc/17/91/55/429179155.db2.gz QWHNYMKGWDXHNE-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)ccc1C#N ZINC000488233456 429179158 /nfs/dbraw/zinc/17/91/58/429179158.db2.gz QWHNYMKGWDXHNE-SFHVURJKSA-N 1 2 305.381 2.540 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000488473525 429180094 /nfs/dbraw/zinc/18/00/94/429180094.db2.gz WKWFJLGISIDMBQ-UHFFFAOYSA-N 1 2 324.428 2.989 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000455369033 429186646 /nfs/dbraw/zinc/18/66/46/429186646.db2.gz PBPVSUYATHEHKQ-UHFFFAOYSA-N 1 2 322.478 2.573 20 30 DFEDLO C=CC(C)(C)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000455369033 429186650 /nfs/dbraw/zinc/18/66/50/429186650.db2.gz PBPVSUYATHEHKQ-UHFFFAOYSA-N 1 2 322.478 2.573 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)NCc1[nH+]ccn1CC ZINC000455322050 429186894 /nfs/dbraw/zinc/18/68/94/429186894.db2.gz RVDQBLDHLFNJLY-UHFFFAOYSA-N 1 2 304.419 2.862 20 30 DFEDLO C#CCNC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000092852647 275383653 /nfs/dbraw/zinc/38/36/53/275383653.db2.gz BETZQZBDSDJGOP-UHFFFAOYSA-N 1 2 310.401 2.578 20 30 DFEDLO C=CCCCS(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000489047977 429216182 /nfs/dbraw/zinc/21/61/82/429216182.db2.gz UFIANZZHITUWBP-UHFFFAOYSA-N 1 2 310.463 2.789 20 30 DFEDLO C=CCCCS(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000489047977 429216187 /nfs/dbraw/zinc/21/61/87/429216187.db2.gz UFIANZZHITUWBP-UHFFFAOYSA-N 1 2 310.463 2.789 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445484 429219183 /nfs/dbraw/zinc/21/91/83/429219183.db2.gz VRJFTUTWSKVTDL-NSHDSACASA-N 1 2 307.825 2.947 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439445484 429219186 /nfs/dbraw/zinc/21/91/86/429219186.db2.gz VRJFTUTWSKVTDL-NSHDSACASA-N 1 2 307.825 2.947 20 30 DFEDLO N#CCc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000455904839 429223607 /nfs/dbraw/zinc/22/36/07/429223607.db2.gz KOGYCQJUVUPQIR-MRXNPFEDSA-N 1 2 321.384 2.548 20 30 DFEDLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440528520 429224743 /nfs/dbraw/zinc/22/47/43/429224743.db2.gz STHAZKVJKCGMEU-ZDUSSCGKSA-N 1 2 318.384 2.600 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000455949532 429226057 /nfs/dbraw/zinc/22/60/57/429226057.db2.gz DUPKOFZIVQNRGO-AWEZNQCLSA-N 1 2 309.373 2.622 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000441143436 429229637 /nfs/dbraw/zinc/22/96/37/429229637.db2.gz PETZIGUIISAZCC-HNNXBMFYSA-N 1 2 300.793 2.620 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000441143436 429229641 /nfs/dbraw/zinc/22/96/41/429229641.db2.gz PETZIGUIISAZCC-HNNXBMFYSA-N 1 2 300.793 2.620 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425138410 429237519 /nfs/dbraw/zinc/23/75/19/429237519.db2.gz AJSTYFHXIUBHRY-HOCLYGCPSA-N 1 2 310.401 2.940 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C#N)cc1)C2 ZINC000364631859 429238111 /nfs/dbraw/zinc/23/81/11/429238111.db2.gz PROZMZHDLVPATM-OAHLLOKOSA-N 1 2 322.412 2.826 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C#N)cc1)CC2 ZINC000364631859 429238115 /nfs/dbraw/zinc/23/81/15/429238115.db2.gz PROZMZHDLVPATM-OAHLLOKOSA-N 1 2 322.412 2.826 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489497084 429245762 /nfs/dbraw/zinc/24/57/62/429245762.db2.gz NVSMPEWDYMZYET-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000489497084 429245768 /nfs/dbraw/zinc/24/57/68/429245768.db2.gz NVSMPEWDYMZYET-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)cn1 ZINC000425207038 429246688 /nfs/dbraw/zinc/24/66/88/429246688.db2.gz MAUIWTGPBJJUTC-UHFFFAOYSA-N 1 2 307.401 2.681 20 30 DFEDLO Cc1cc(NC2CCC(Oc3ncccc3C#N)CC2)nc[nH+]1 ZINC000445677040 429288657 /nfs/dbraw/zinc/28/86/57/429288657.db2.gz URZKKQGMMIXLSQ-UHFFFAOYSA-N 1 2 309.373 2.854 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000489516764 429248945 /nfs/dbraw/zinc/24/89/45/429248945.db2.gz UBDPVJPSESGMSK-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000489516764 429248949 /nfs/dbraw/zinc/24/89/49/429248949.db2.gz UBDPVJPSESGMSK-LBPRGKRZSA-N 1 2 319.361 2.582 20 30 DFEDLO COc1ccccc1OC[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425244051 429251752 /nfs/dbraw/zinc/25/17/52/429251752.db2.gz GTOCENYHIUXITQ-ZDUSSCGKSA-N 1 2 311.385 2.819 20 30 DFEDLO Cc1cc(NC[C@@H](c2ccccc2)C(C)(C)CO)c(C#N)c[nH+]1 ZINC000425244480 429251922 /nfs/dbraw/zinc/25/19/22/429251922.db2.gz VKFPGPWHJJRVTO-KRWDZBQOSA-N 1 2 309.413 2.898 20 30 DFEDLO N#Cc1ccccc1N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000444079185 429263764 /nfs/dbraw/zinc/26/37/64/429263764.db2.gz FSXACFZXKXMNRM-UHFFFAOYSA-N 1 2 315.380 2.828 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000456344269 429282075 /nfs/dbraw/zinc/28/20/75/429282075.db2.gz FQWVTVRPOZFZRY-HOCLYGCPSA-N 1 2 310.401 2.853 20 30 DFEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)C1CC1 ZINC000491314166 429347528 /nfs/dbraw/zinc/34/75/28/429347528.db2.gz DHCQXHIYVWNQNN-HNNXBMFYSA-N 1 2 302.443 2.682 20 30 DFEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)C1CC1 ZINC000491314166 429347532 /nfs/dbraw/zinc/34/75/32/429347532.db2.gz DHCQXHIYVWNQNN-HNNXBMFYSA-N 1 2 302.443 2.682 20 30 DFEDLO C#CC[N@@H+](CN1C[C@@H](C(F)F)CC1=O)[C@H]1CCc2ccccc21 ZINC000491209823 429335508 /nfs/dbraw/zinc/33/55/08/429335508.db2.gz MEZXONWVIMOJEH-HOCLYGCPSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CC[N@H+](CN1C[C@@H](C(F)F)CC1=O)[C@H]1CCc2ccccc21 ZINC000491209823 429335511 /nfs/dbraw/zinc/33/55/11/429335511.db2.gz MEZXONWVIMOJEH-HOCLYGCPSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CC[N@@H+](CN1C[C@H](C(F)F)CC1=O)[C@H]1CCc2ccccc21 ZINC000491209824 429335705 /nfs/dbraw/zinc/33/57/05/429335705.db2.gz MEZXONWVIMOJEH-ZBFHGGJFSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CC[N@H+](CN1C[C@H](C(F)F)CC1=O)[C@H]1CCc2ccccc21 ZINC000491209824 429335707 /nfs/dbraw/zinc/33/57/07/429335707.db2.gz MEZXONWVIMOJEH-ZBFHGGJFSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(F)c(C)c2)n1 ZINC000491243479 429339395 /nfs/dbraw/zinc/33/93/95/429339395.db2.gz XMQCFQBROYZLJR-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(F)c(C)c2)n1 ZINC000491243479 429339399 /nfs/dbraw/zinc/33/93/99/429339399.db2.gz XMQCFQBROYZLJR-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCC3)ccc2n1[C@@H](C)CO ZINC000456702146 429340995 /nfs/dbraw/zinc/34/09/95/429340995.db2.gz GLPMBLWNBQPQSE-NSHDSACASA-N 1 2 312.373 2.530 20 30 DFEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000365314564 429299169 /nfs/dbraw/zinc/29/91/69/429299169.db2.gz GJMBXARXQWJOQF-ROUUACIJSA-N 1 2 323.396 2.775 20 30 DFEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000365314564 429299172 /nfs/dbraw/zinc/29/91/72/429299172.db2.gz GJMBXARXQWJOQF-ROUUACIJSA-N 1 2 323.396 2.775 20 30 DFEDLO COc1cccc2c1[nH+]c(NCc1ccc(C#N)c(C)c1)n2C ZINC000446968834 429301759 /nfs/dbraw/zinc/30/17/59/429301759.db2.gz BCRQGMQCHCFFAE-UHFFFAOYSA-N 1 2 306.369 3.374 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1cc(C#N)ccc1F ZINC000447838607 429307588 /nfs/dbraw/zinc/30/75/88/429307588.db2.gz CCVYANVRVPKUOM-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1cc(C#N)ccc1F ZINC000447838607 429307594 /nfs/dbraw/zinc/30/75/94/429307594.db2.gz CCVYANVRVPKUOM-UHFFFAOYSA-N 1 2 305.378 2.802 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(OC)c(C#N)c1 ZINC000447825853 429307826 /nfs/dbraw/zinc/30/78/26/429307826.db2.gz GOMNFFKVZPACEP-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(OC)c(C#N)c1 ZINC000447825853 429307829 /nfs/dbraw/zinc/30/78/29/429307829.db2.gz GOMNFFKVZPACEP-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000490853024 429308926 /nfs/dbraw/zinc/30/89/26/429308926.db2.gz PKCZZXZJVKPZLG-SSDOTTSWSA-N 1 2 320.261 2.664 20 30 DFEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000490853024 429308931 /nfs/dbraw/zinc/30/89/31/429308931.db2.gz PKCZZXZJVKPZLG-SSDOTTSWSA-N 1 2 320.261 2.664 20 30 DFEDLO Cc1cc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496176609 429311727 /nfs/dbraw/zinc/31/17/27/429311727.db2.gz UGWYSIZNWZDILU-AWEZNQCLSA-N 1 2 316.405 2.707 20 30 DFEDLO Cc1cc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000496354631 429313111 /nfs/dbraw/zinc/31/31/11/429313111.db2.gz CADCYRNCQBYFDR-FZMZJTMJSA-N 1 2 316.405 2.611 20 30 DFEDLO C=CC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000448712275 429316660 /nfs/dbraw/zinc/31/66/60/429316660.db2.gz XYVPIAYIGFBRCT-OKILXGFUSA-N 1 2 317.433 2.524 20 30 DFEDLO COC(=O)c1cccnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533088 429317548 /nfs/dbraw/zinc/31/75/48/429317548.db2.gz KFQHSVSPKINEDD-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO COC(=O)c1cccnc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533088 429317552 /nfs/dbraw/zinc/31/75/52/429317552.db2.gz KFQHSVSPKINEDD-CYBMUJFWSA-N 1 2 309.369 2.933 20 30 DFEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491705000 429394757 /nfs/dbraw/zinc/39/47/57/429394757.db2.gz IJDISMKMWFOCGQ-ABAIWWIYSA-N 1 2 301.777 2.732 20 30 DFEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491705000 429394761 /nfs/dbraw/zinc/39/47/61/429394761.db2.gz IJDISMKMWFOCGQ-ABAIWWIYSA-N 1 2 301.777 2.732 20 30 DFEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000366032513 429410981 /nfs/dbraw/zinc/41/09/81/429410981.db2.gz MKTCJLWNXPYNAH-UHFFFAOYSA-N 1 2 319.474 2.992 20 30 DFEDLO C#CCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491768683 429404941 /nfs/dbraw/zinc/40/49/41/429404941.db2.gz LDJNYVUUNZXZMM-QGZVFWFLSA-N 1 2 310.401 2.516 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000491773075 429405741 /nfs/dbraw/zinc/40/57/41/429405741.db2.gz BMSKTBWQILQGJF-HNNXBMFYSA-N 1 2 314.433 2.625 20 30 DFEDLO C#C[C@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(F)cc1 ZINC000491348985 429350033 /nfs/dbraw/zinc/35/00/33/429350033.db2.gz FXYACHAWZUPLGL-KRWDZBQOSA-N 1 2 301.365 2.523 20 30 DFEDLO Cc1nnc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000365994654 429409624 /nfs/dbraw/zinc/40/96/24/429409624.db2.gz AJXMVLHCFWPEDA-UHFFFAOYSA-N 1 2 314.820 2.998 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3ccccc3o2)n1 ZINC000491361919 429351371 /nfs/dbraw/zinc/35/13/71/429351371.db2.gz OFGZHHWRNPQNFB-UHFFFAOYSA-N 1 2 323.396 2.911 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3ccccc3o2)n1 ZINC000491361919 429351376 /nfs/dbraw/zinc/35/13/76/429351376.db2.gz OFGZHHWRNPQNFB-UHFFFAOYSA-N 1 2 323.396 2.911 20 30 DFEDLO COCCOc1cc(C)ccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000518074085 429409900 /nfs/dbraw/zinc/40/99/00/429409900.db2.gz FZBQKIRUPOHEJF-HNNXBMFYSA-N 1 2 301.390 2.553 20 30 DFEDLO C#C[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C(C)(C)C ZINC000491621635 429379480 /nfs/dbraw/zinc/37/94/80/429379480.db2.gz OINIJPZXDSURBZ-WDEREUQCSA-N 1 2 315.339 2.620 20 30 DFEDLO C#C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1 ZINC000491637195 429383858 /nfs/dbraw/zinc/38/38/58/429383858.db2.gz WTVANDBJPFRASV-HNNXBMFYSA-N 1 2 308.316 2.969 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000519542925 429463146 /nfs/dbraw/zinc/46/31/46/429463146.db2.gz LSQOGCBMLPQSRV-CQSZACIVSA-N 1 2 324.384 2.767 20 30 DFEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000274746809 275719015 /nfs/dbraw/zinc/71/90/15/275719015.db2.gz DRCFQURTAOMWHN-UKRRQHHQSA-N 1 2 310.401 2.540 20 30 DFEDLO C=CCc1cc(C[NH2+]Cc2nn(C)cc2Cl)cc(OC)c1O ZINC000449481887 429431669 /nfs/dbraw/zinc/43/16/69/429431669.db2.gz WLEHNYLPMQPKLP-UHFFFAOYSA-N 1 2 321.808 2.806 20 30 DFEDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428465371 429527768 /nfs/dbraw/zinc/52/77/68/429527768.db2.gz ZASFPEYXDATMKX-UHFFFAOYSA-N 1 2 317.408 2.776 20 30 DFEDLO C=CCC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OCC ZINC000449657705 429471472 /nfs/dbraw/zinc/47/14/72/429471472.db2.gz QJVSEMYHZZDBCL-KRWDZBQOSA-N 1 2 313.401 2.860 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000492151529 429476340 /nfs/dbraw/zinc/47/63/40/429476340.db2.gz AQRSGEPZRQWDHF-AATRIKPKSA-N 1 2 302.337 2.536 20 30 DFEDLO COCCN(C)c1ccc(CNc2cccc(CC#N)c2)c[nH+]1 ZINC000449704617 429485157 /nfs/dbraw/zinc/48/51/57/429485157.db2.gz WDQYYDVQMKOUKF-UHFFFAOYSA-N 1 2 310.401 2.842 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026158 429562105 /nfs/dbraw/zinc/56/21/05/429562105.db2.gz KCCOBNQMHYOPTK-ZWKOTPCHSA-N 1 2 317.408 2.612 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026158 429562113 /nfs/dbraw/zinc/56/21/13/429562113.db2.gz KCCOBNQMHYOPTK-ZWKOTPCHSA-N 1 2 317.408 2.612 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000450145416 429573707 /nfs/dbraw/zinc/57/37/07/429573707.db2.gz JOBQAXNODFKDLB-GUYCJALGSA-N 1 2 317.820 2.534 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000367134409 429584532 /nfs/dbraw/zinc/58/45/32/429584532.db2.gz XRWXPLDZEPIUBG-UHFFFAOYSA-N 1 2 307.353 2.879 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000367134409 429584535 /nfs/dbraw/zinc/58/45/35/429584535.db2.gz XRWXPLDZEPIUBG-UHFFFAOYSA-N 1 2 307.353 2.879 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492843917 429628011 /nfs/dbraw/zinc/62/80/11/429628011.db2.gz WXUTWXPBAKROLJ-AATRIKPKSA-N 1 2 313.405 2.805 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1cccc(C#N)c1)C1CC1 ZINC000492883311 429636546 /nfs/dbraw/zinc/63/65/46/429636546.db2.gz WVCNQKYTXUIPEC-CTEOGUNLSA-N 1 2 306.369 2.572 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895117 429639487 /nfs/dbraw/zinc/63/94/87/429639487.db2.gz HRWOJVWAHGJGNG-DSPBCKRPSA-N 1 2 306.369 2.721 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450501254 429639911 /nfs/dbraw/zinc/63/99/11/429639911.db2.gz PLYLSJACVXAINS-BBRMVZONSA-N 1 2 312.417 3.089 20 30 DFEDLO C=CCOc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000450368387 429611279 /nfs/dbraw/zinc/61/12/79/429611279.db2.gz GMNLREVLGUZKAZ-MRXNPFEDSA-N 1 2 311.385 2.881 20 30 DFEDLO C[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000450379925 429614687 /nfs/dbraw/zinc/61/46/87/429614687.db2.gz QFBFFFBDDVUZLP-SWLSCSKDSA-N 1 2 311.345 2.750 20 30 DFEDLO COc1ccccc1[C@@H](Nc1cc(C#N)ccn1)c1[nH+]ccn1C ZINC000367519432 429664505 /nfs/dbraw/zinc/66/45/05/429664505.db2.gz OJVGEQBGZYDVQI-QGZVFWFLSA-N 1 2 319.368 2.897 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CC[N@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367574901 429674837 /nfs/dbraw/zinc/67/48/37/429674837.db2.gz JFZWRYKYCAENJN-CJNGLKHVSA-N 1 2 319.836 2.750 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367574901 429674840 /nfs/dbraw/zinc/67/48/40/429674840.db2.gz JFZWRYKYCAENJN-CJNGLKHVSA-N 1 2 319.836 2.750 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc(CC#N)ccn1)C2 ZINC000526008526 429694785 /nfs/dbraw/zinc/69/47/85/429694785.db2.gz JHRFZVADKOUXJL-CYBMUJFWSA-N 1 2 323.400 2.738 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc(CC#N)ccn1)CC2 ZINC000526008526 429694790 /nfs/dbraw/zinc/69/47/90/429694790.db2.gz JHRFZVADKOUXJL-CYBMUJFWSA-N 1 2 323.400 2.738 20 30 DFEDLO COc1ccsc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459604641 429700866 /nfs/dbraw/zinc/70/08/66/429700866.db2.gz BZJJAHPGFRUKED-UHFFFAOYSA-N 1 2 300.383 2.892 20 30 DFEDLO COC1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000459583014 429701038 /nfs/dbraw/zinc/70/10/38/429701038.db2.gz OQPYAHIZRCYHCC-UHFFFAOYSA-N 1 2 308.381 2.968 20 30 DFEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000459716154 429701708 /nfs/dbraw/zinc/70/17/08/429701708.db2.gz PRCRIQYTOKZBQP-AWEZNQCLSA-N 1 2 319.405 2.598 20 30 DFEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000459716154 429701712 /nfs/dbraw/zinc/70/17/12/429701712.db2.gz PRCRIQYTOKZBQP-AWEZNQCLSA-N 1 2 319.405 2.598 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C(=O)OC ZINC000482438538 429726088 /nfs/dbraw/zinc/72/60/88/429726088.db2.gz MFPKXGOXQRHNST-ULQDDVLXSA-N 1 2 303.402 2.657 20 30 DFEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000450918956 429728720 /nfs/dbraw/zinc/72/87/20/429728720.db2.gz XEHIOUZFABZINK-GOEBONIOSA-N 1 2 320.458 2.753 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cccc2ccccc12 ZINC000493306536 429734086 /nfs/dbraw/zinc/73/40/86/429734086.db2.gz RZYRYFALRLTIAY-JZHDPFOFSA-N 1 2 307.397 2.813 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc2ccccc2c1 ZINC000493365759 429747062 /nfs/dbraw/zinc/74/70/62/429747062.db2.gz IFMJXSNSPAPQTN-JARZOMNASA-N 1 2 307.397 2.813 20 30 DFEDLO Cc1cc(OCC(=O)NC2(C#N)CCC2)c2cccc(C)c2[nH+]1 ZINC000527369891 429747344 /nfs/dbraw/zinc/74/73/44/429747344.db2.gz HEEVSPNUZJMTRL-UHFFFAOYSA-N 1 2 309.369 2.793 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccn1 ZINC000527537329 429757906 /nfs/dbraw/zinc/75/79/06/429757906.db2.gz AXVLRYCNOVVSBI-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000451556367 429854317 /nfs/dbraw/zinc/85/43/17/429854317.db2.gz DBIIIZXBLUWADT-YGRLFVJLSA-N 1 2 321.446 2.532 20 30 DFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000451556367 429854320 /nfs/dbraw/zinc/85/43/20/429854320.db2.gz DBIIIZXBLUWADT-YGRLFVJLSA-N 1 2 321.446 2.532 20 30 DFEDLO CCC(C#N)(CC)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000528182348 429858625 /nfs/dbraw/zinc/85/86/25/429858625.db2.gz DEDWVHVUUOLQCC-QWHCGFSZSA-N 1 2 304.394 2.577 20 30 DFEDLO CCC(C#N)(CC)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000528182348 429858627 /nfs/dbraw/zinc/85/86/27/429858627.db2.gz DEDWVHVUUOLQCC-QWHCGFSZSA-N 1 2 304.394 2.577 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494284085 429864077 /nfs/dbraw/zinc/86/40/77/429864077.db2.gz BPHAYQVVXXNKGK-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494284085 429864080 /nfs/dbraw/zinc/86/40/80/429864080.db2.gz BPHAYQVVXXNKGK-UHFFFAOYSA-N 1 2 302.324 2.831 20 30 DFEDLO Cc1cnccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000528439150 429889547 /nfs/dbraw/zinc/88/95/47/429889547.db2.gz LSNJUGZCRRZWFZ-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368815414 429895851 /nfs/dbraw/zinc/89/58/51/429895851.db2.gz CKIVBHZBWKCTCA-GFCCVEGCSA-N 1 2 306.356 2.745 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368815414 429895852 /nfs/dbraw/zinc/89/58/52/429895852.db2.gz CKIVBHZBWKCTCA-GFCCVEGCSA-N 1 2 306.356 2.745 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C2 ZINC000369097785 429912290 /nfs/dbraw/zinc/91/22/90/429912290.db2.gz NSJZOYPJGCBHLE-QGZVFWFLSA-N 1 2 322.412 2.930 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000528794020 429916688 /nfs/dbraw/zinc/91/66/88/429916688.db2.gz AMEPWHXNLISCEA-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000528794020 429916690 /nfs/dbraw/zinc/91/66/90/429916690.db2.gz AMEPWHXNLISCEA-HNNXBMFYSA-N 1 2 324.346 2.850 20 30 DFEDLO C=CCC(CC=C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628826038 429958838 /nfs/dbraw/zinc/95/88/38/429958838.db2.gz KRWAQCVCLAPLDC-UHFFFAOYSA-N 1 2 316.449 3.205 20 30 DFEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000573536154 429959598 /nfs/dbraw/zinc/95/95/98/429959598.db2.gz QFCXFHWIHPPUMS-LLVKDONJSA-N 1 2 309.156 2.571 20 30 DFEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000573300936 429940606 /nfs/dbraw/zinc/94/06/06/429940606.db2.gz PETLSNOYRAMZPO-RDJZCZTQSA-N 1 2 313.401 2.630 20 30 DFEDLO CC(C)c1ccc(SCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000574330368 430032020 /nfs/dbraw/zinc/03/20/20/430032020.db2.gz SMMWHENGXCABFS-QGZVFWFLSA-N 1 2 319.474 2.862 20 30 DFEDLO N#C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000574378924 430037405 /nfs/dbraw/zinc/03/74/05/430037405.db2.gz GNGKOWNPUVFQIB-WBVHZDCISA-N 1 2 320.396 2.799 20 30 DFEDLO N#C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000574378924 430037410 /nfs/dbraw/zinc/03/74/10/430037410.db2.gz GNGKOWNPUVFQIB-WBVHZDCISA-N 1 2 320.396 2.799 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000640119913 430094084 /nfs/dbraw/zinc/09/40/84/430094084.db2.gz PXYYSDGTZLZQBJ-MRXNPFEDSA-N 1 2 317.433 2.600 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000640119913 430094087 /nfs/dbraw/zinc/09/40/87/430094087.db2.gz PXYYSDGTZLZQBJ-MRXNPFEDSA-N 1 2 317.433 2.600 20 30 DFEDLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000562071866 430109172 /nfs/dbraw/zinc/10/91/72/430109172.db2.gz WIGAWCKAGAAZLK-AWEZNQCLSA-N 1 2 312.398 2.602 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000576923802 430109293 /nfs/dbraw/zinc/10/92/93/430109293.db2.gz AFWSSZPDPAZTDV-DLBZAZTESA-N 1 2 324.428 2.685 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000574924772 430052717 /nfs/dbraw/zinc/05/27/17/430052717.db2.gz GFNVTKKFSBIHBX-SNVBAGLBSA-N 1 2 315.295 2.806 20 30 DFEDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000532080216 430150737 /nfs/dbraw/zinc/15/07/37/430150737.db2.gz MXWYPYXBFSKHCB-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000532080216 430150741 /nfs/dbraw/zinc/15/07/41/430150741.db2.gz MXWYPYXBFSKHCB-LLVKDONJSA-N 1 2 313.323 2.710 20 30 DFEDLO C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000532064378 430151137 /nfs/dbraw/zinc/15/11/37/430151137.db2.gz BAZOJEBNQPJFSO-TXKKKEFDSA-N 1 2 308.385 2.989 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000532124964 430151221 /nfs/dbraw/zinc/15/12/21/430151221.db2.gz TVCDUWNBZBLQLZ-GJZGRUSLSA-N 1 2 305.422 2.874 20 30 DFEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000532124964 430151224 /nfs/dbraw/zinc/15/12/24/430151224.db2.gz TVCDUWNBZBLQLZ-GJZGRUSLSA-N 1 2 305.422 2.874 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000533024039 430156334 /nfs/dbraw/zinc/15/63/34/430156334.db2.gz VBRZCVZXKZORAP-HNNXBMFYSA-N 1 2 311.410 2.875 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000533024039 430156339 /nfs/dbraw/zinc/15/63/39/430156339.db2.gz VBRZCVZXKZORAP-HNNXBMFYSA-N 1 2 311.410 2.875 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000580957839 430165332 /nfs/dbraw/zinc/16/53/32/430165332.db2.gz PBBSINPCPHUDLG-RBUKOAKNSA-N 1 2 323.440 2.639 20 30 DFEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc2ccccc2c1 ZINC000563220814 430179978 /nfs/dbraw/zinc/17/99/78/430179978.db2.gz VWPBWEQGNCDLKR-AUUYWEPGSA-N 1 2 309.413 2.903 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000562479406 430136958 /nfs/dbraw/zinc/13/69/58/430136958.db2.gz ZEFYWOWAKURWRV-ZWKOTPCHSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000562479406 430136960 /nfs/dbraw/zinc/13/69/60/430136960.db2.gz ZEFYWOWAKURWRV-ZWKOTPCHSA-N 1 2 321.380 2.657 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC)n1 ZINC000562489198 430138113 /nfs/dbraw/zinc/13/81/13/430138113.db2.gz ZEVRFPMYZSEUOW-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC)n1 ZINC000562489198 430138117 /nfs/dbraw/zinc/13/81/17/430138117.db2.gz ZEVRFPMYZSEUOW-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000562529129 430141839 /nfs/dbraw/zinc/14/18/39/430141839.db2.gz QEUATMRHATZHCG-XKQJLSEDSA-N 1 2 311.385 2.641 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718815 430190054 /nfs/dbraw/zinc/19/00/54/430190054.db2.gz RWYVBHBEAWMPGH-QGZVFWFLSA-N 1 2 308.466 2.692 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718815 430190059 /nfs/dbraw/zinc/19/00/59/430190059.db2.gz RWYVBHBEAWMPGH-QGZVFWFLSA-N 1 2 308.466 2.692 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000565707684 430223463 /nfs/dbraw/zinc/22/34/63/430223463.db2.gz XFYFIMZHYUPUSE-CYBMUJFWSA-N 1 2 321.471 2.776 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000565707684 430223466 /nfs/dbraw/zinc/22/34/66/430223466.db2.gz XFYFIMZHYUPUSE-CYBMUJFWSA-N 1 2 321.471 2.776 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566343264 430254268 /nfs/dbraw/zinc/25/42/68/430254268.db2.gz OYOZSLIJYBKYCK-CQSZACIVSA-N 1 2 317.389 2.524 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000566017859 430237561 /nfs/dbraw/zinc/23/75/61/430237561.db2.gz MVDYZVRBOMWSGL-MRXNPFEDSA-N 1 2 312.417 2.832 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000567909363 430293581 /nfs/dbraw/zinc/29/35/81/430293581.db2.gz SOXJFAKCBTXMHP-HDJSIYSDSA-N 1 2 323.400 2.743 20 30 DFEDLO N#Cc1cnccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000545239939 430309898 /nfs/dbraw/zinc/30/98/98/430309898.db2.gz YCBVJOPJEWAXQU-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CC#CC[NH2+]Cc1cn(CC2CCC(C(F)(F)F)CC2)nn1 ZINC000641147950 430343925 /nfs/dbraw/zinc/34/39/25/430343925.db2.gz QFGFTFRJMNFHEX-UHFFFAOYSA-N 1 2 314.355 2.760 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000568994134 430411701 /nfs/dbraw/zinc/41/17/01/430411701.db2.gz YQSHLLGGWJHPEW-XHDPSFHLSA-N 1 2 324.359 2.748 20 30 DFEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000583647853 430414837 /nfs/dbraw/zinc/41/48/37/430414837.db2.gz KOHAKLADUIVGLE-LBPRGKRZSA-N 1 2 322.290 2.966 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635868341 430399199 /nfs/dbraw/zinc/39/91/99/430399199.db2.gz XTJUBIYIKNGJAG-RYUDHWBXSA-N 1 2 301.312 2.944 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635889418 430404933 /nfs/dbraw/zinc/40/49/33/430404933.db2.gz JVDJJKLVDMTTTJ-PMPSAXMXSA-N 1 2 305.422 2.568 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Br)cn1 ZINC000583863626 430434339 /nfs/dbraw/zinc/43/43/39/430434339.db2.gz VOXAYLNBPFIZOP-SNVBAGLBSA-N 1 2 317.190 2.962 20 30 DFEDLO C=CCC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCOCC1 ZINC000636181995 430480851 /nfs/dbraw/zinc/48/08/51/430480851.db2.gz JHHRGSVRFQCVRI-OAHLLOKOSA-N 1 2 305.422 2.712 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548320266 430461701 /nfs/dbraw/zinc/46/17/01/430461701.db2.gz YABOUCIVIDVSPJ-LLVKDONJSA-N 1 2 315.764 2.545 20 30 DFEDLO Cc1csc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000569618845 430471675 /nfs/dbraw/zinc/47/16/75/430471675.db2.gz MCTJYSLTFPTXQQ-UHFFFAOYSA-N 1 2 315.402 2.783 20 30 DFEDLO Cc1cc(C#N)cc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC000587290869 430482973 /nfs/dbraw/zinc/48/29/73/430482973.db2.gz OZTLFZWKZLZECP-UHFFFAOYSA-N 1 2 321.428 3.505 20 30 DFEDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000569888343 430495327 /nfs/dbraw/zinc/49/53/27/430495327.db2.gz HXMYNZLFCXYVDG-QGZVFWFLSA-N 1 2 320.400 2.667 20 30 DFEDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000569888343 430495331 /nfs/dbraw/zinc/49/53/31/430495331.db2.gz HXMYNZLFCXYVDG-QGZVFWFLSA-N 1 2 320.400 2.667 20 30 DFEDLO N#Cc1cccn(Cc2cn3cc(Cl)cc(Cl)c3[nH+]2)c1=O ZINC000551904817 430568909 /nfs/dbraw/zinc/56/89/09/430568909.db2.gz WBAISYFDASIWAC-UHFFFAOYSA-N 1 2 319.151 2.723 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570867945 430584823 /nfs/dbraw/zinc/58/48/23/430584823.db2.gz PWXSETYIVMOFEG-KDOFPFPSSA-N 1 2 315.392 2.508 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570867945 430584826 /nfs/dbraw/zinc/58/48/26/430584826.db2.gz PWXSETYIVMOFEG-KDOFPFPSSA-N 1 2 315.392 2.508 20 30 DFEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000571287968 430618623 /nfs/dbraw/zinc/61/86/23/430618623.db2.gz MIXNMEYXZXMUJQ-AWEZNQCLSA-N 1 2 315.329 2.845 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cc(C#N)ncn1 ZINC000571383018 430623956 /nfs/dbraw/zinc/62/39/56/430623956.db2.gz QEPZQOGHSOPIME-HNNXBMFYSA-N 1 2 318.384 2.675 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000555751711 430672757 /nfs/dbraw/zinc/67/27/57/430672757.db2.gz KNQPDUKFFWLIBI-SFHVURJKSA-N 1 2 312.438 2.909 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000555751711 430672760 /nfs/dbraw/zinc/67/27/60/430672760.db2.gz KNQPDUKFFWLIBI-SFHVURJKSA-N 1 2 312.438 2.909 20 30 DFEDLO C=CCCCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000654505798 430716054 /nfs/dbraw/zinc/71/60/54/430716054.db2.gz UWRRAQJVKMSEPA-OAHLLOKOSA-N 1 2 302.422 2.706 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000661509138 430741244 /nfs/dbraw/zinc/74/12/44/430741244.db2.gz STZQEMVLZKATAM-NUTKFTJISA-N 1 2 313.401 2.888 20 30 DFEDLO C=CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C1CC1 ZINC000654981926 430856760 /nfs/dbraw/zinc/85/67/60/430856760.db2.gz CQRVCIPUOBSNEC-NSHDSACASA-N 1 2 301.312 2.633 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648709354 430864008 /nfs/dbraw/zinc/86/40/08/430864008.db2.gz RSRJOBVQLGYXOR-GOSISDBHSA-N 1 2 315.417 2.530 20 30 DFEDLO C=CC[C@@H]1CC[C@@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000651815266 430885960 /nfs/dbraw/zinc/88/59/60/430885960.db2.gz FJYUPZPROLLKOL-CRAIPNDOSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@@H]1CC[C@@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000651815266 430885965 /nfs/dbraw/zinc/88/59/65/430885965.db2.gz FJYUPZPROLLKOL-CRAIPNDOSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CCCC1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCC1 ZINC000665588321 430977504 /nfs/dbraw/zinc/97/75/04/430977504.db2.gz QGGVQLARIXRPNC-UHFFFAOYSA-N 1 2 302.422 2.935 20 30 DFEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000649187534 431024133 /nfs/dbraw/zinc/02/41/33/431024133.db2.gz RTNSTQUFAPUIQQ-INIZCTEOSA-N 1 2 324.380 2.686 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364159 431060009 /nfs/dbraw/zinc/06/00/09/431060009.db2.gz NQFZDQDETAISKA-DVOMOZLQSA-N 1 2 318.408 2.544 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364159 431060011 /nfs/dbraw/zinc/06/00/11/431060011.db2.gz NQFZDQDETAISKA-DVOMOZLQSA-N 1 2 318.408 2.544 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000649350297 431074257 /nfs/dbraw/zinc/07/42/57/431074257.db2.gz CXBULGOWSLYIPK-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000649350297 431074261 /nfs/dbraw/zinc/07/42/61/431074261.db2.gz CXBULGOWSLYIPK-CQSZACIVSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404060 431092141 /nfs/dbraw/zinc/09/21/41/431092141.db2.gz BLZITPAEPYBQRN-HUUCEWRRSA-N 1 2 313.344 2.598 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000649404060 431092147 /nfs/dbraw/zinc/09/21/47/431092147.db2.gz BLZITPAEPYBQRN-HUUCEWRRSA-N 1 2 313.344 2.598 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666956066 431424319 /nfs/dbraw/zinc/42/43/19/431424319.db2.gz LJGUISPOEUDONI-CYBMUJFWSA-N 1 2 313.376 2.869 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666956066 431424324 /nfs/dbraw/zinc/42/43/24/431424324.db2.gz LJGUISPOEUDONI-CYBMUJFWSA-N 1 2 313.376 2.869 20 30 DFEDLO C=CCCC1(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000660324865 431378818 /nfs/dbraw/zinc/37/88/18/431378818.db2.gz OUFXMRSKWMADLF-INIZCTEOSA-N 1 2 323.481 2.533 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)nn1 ZINC000653488010 431399064 /nfs/dbraw/zinc/39/90/64/431399064.db2.gz ZLQCPRIHXFNNSX-UHFFFAOYSA-N 1 2 316.405 2.503 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)nn1 ZINC000653488010 431399070 /nfs/dbraw/zinc/39/90/70/431399070.db2.gz ZLQCPRIHXFNNSX-UHFFFAOYSA-N 1 2 316.405 2.503 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)nn1 ZINC000653505950 431407991 /nfs/dbraw/zinc/40/79/91/431407991.db2.gz FCSMBCAKOCCEBY-UHFFFAOYSA-N 1 2 316.405 2.503 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)nn1 ZINC000653505950 431407995 /nfs/dbraw/zinc/40/79/95/431407995.db2.gz FCSMBCAKOCCEBY-UHFFFAOYSA-N 1 2 316.405 2.503 20 30 DFEDLO C=CCN1CC[C@@H](N(C)c2cc(C(F)(F)F)cc(C)[nH+]2)C1=O ZINC000663872289 431575233 /nfs/dbraw/zinc/57/52/33/431575233.db2.gz PZBFGAVLEHGTSI-GFCCVEGCSA-N 1 2 313.323 2.632 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660952891 431674991 /nfs/dbraw/zinc/67/49/91/431674991.db2.gz RGHDGCWNPSPXMC-HZPDHXFCSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2cn(CC)nn2)cc1Cl ZINC000657623808 431828178 /nfs/dbraw/zinc/82/81/78/431828178.db2.gz FPYSXHKPLYMLQQ-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2cn(CC)nn2)ccc1OC ZINC000657623722 431829470 /nfs/dbraw/zinc/82/94/70/431829470.db2.gz BUTGBJQEZGSKBS-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000292474056 335090312 /nfs/dbraw/zinc/09/03/12/335090312.db2.gz BCMVWXCBRAXMLK-UHFFFAOYSA-N 1 2 302.422 2.516 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)F ZINC000153640701 289053565 /nfs/dbraw/zinc/05/35/65/289053565.db2.gz LACPBLLVWARXQT-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1CC(F)F ZINC000153640701 289053567 /nfs/dbraw/zinc/05/35/67/289053567.db2.gz LACPBLLVWARXQT-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc(C#N)c1F ZINC000541054642 301381742 /nfs/dbraw/zinc/38/17/42/301381742.db2.gz PYAPUYLBBABDNI-HNNXBMFYSA-N 1 2 300.333 2.529 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000556677172 301799744 /nfs/dbraw/zinc/79/97/44/301799744.db2.gz FNHMEXMXFHNCKN-SNVBAGLBSA-N 1 2 302.765 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C[C@H](CC)O1 ZINC000562933675 302014167 /nfs/dbraw/zinc/01/41/67/302014167.db2.gz LKJAZSCAJAEZBS-GASCZTMLSA-N 1 2 316.401 2.734 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)C[C@H](CC)O1 ZINC000562933675 302014170 /nfs/dbraw/zinc/01/41/70/302014170.db2.gz LKJAZSCAJAEZBS-GASCZTMLSA-N 1 2 316.401 2.734 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919956 302173828 /nfs/dbraw/zinc/17/38/28/302173828.db2.gz CQVWQHCOJRZKOB-ZWKOTPCHSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919956 302173829 /nfs/dbraw/zinc/17/38/29/302173829.db2.gz CQVWQHCOJRZKOB-ZWKOTPCHSA-N 1 2 321.380 2.657 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc3c(c2C#N)CCC3)CC1(C)C ZINC000572030327 302640564 /nfs/dbraw/zinc/64/05/64/302640564.db2.gz PCLZDBZSKBCTQO-HNNXBMFYSA-N 1 2 307.401 2.763 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000363631638 303182894 /nfs/dbraw/zinc/18/28/94/303182894.db2.gz PJOOVMGFVYSBEN-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000363631638 303182895 /nfs/dbraw/zinc/18/28/95/303182895.db2.gz PJOOVMGFVYSBEN-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO CC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nccs1 ZINC000185089205 316178880 /nfs/dbraw/zinc/17/88/80/316178880.db2.gz PGVIHWBWEOWAIL-SNVBAGLBSA-N 1 2 306.416 2.756 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000491893178 317606528 /nfs/dbraw/zinc/60/65/28/317606528.db2.gz NTXPIYJIKVILHS-KTKRTIGZSA-N 1 2 306.369 2.585 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCC2)O1 ZINC000574986499 318055112 /nfs/dbraw/zinc/05/51/12/318055112.db2.gz NCQQHXMIQVUMSF-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCC2)O1 ZINC000574986499 318055114 /nfs/dbraw/zinc/05/51/14/318055114.db2.gz NCQQHXMIQVUMSF-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000576077356 318102109 /nfs/dbraw/zinc/10/21/09/318102109.db2.gz KLESHUJVWRTLGB-CYBMUJFWSA-N 1 2 317.190 2.821 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000577843748 318220642 /nfs/dbraw/zinc/22/06/42/318220642.db2.gz DENAYHZRQDQOKT-WFASDCNBSA-N 1 2 323.400 2.541 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000577843748 318220644 /nfs/dbraw/zinc/22/06/44/318220644.db2.gz DENAYHZRQDQOKT-WFASDCNBSA-N 1 2 323.400 2.541 20 30 DFEDLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000579361300 318325560 /nfs/dbraw/zinc/32/55/60/318325560.db2.gz WWGDGCKCGGNCIC-CYBMUJFWSA-N 1 2 311.389 2.719 20 30 DFEDLO Cc1cc(NCc2nc3ccccc3n2C2CC2)c(C#N)c[nH+]1 ZINC000579702921 318348344 /nfs/dbraw/zinc/34/83/44/318348344.db2.gz AEVBZGGQZLMEGI-UHFFFAOYSA-N 1 2 303.369 2.980 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000580036468 318370221 /nfs/dbraw/zinc/37/02/21/318370221.db2.gz BSKZMGVBFMURDL-OAHLLOKOSA-N 1 2 321.471 2.777 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000580036468 318370222 /nfs/dbraw/zinc/37/02/22/318370222.db2.gz BSKZMGVBFMURDL-OAHLLOKOSA-N 1 2 321.471 2.777 20 30 DFEDLO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1C1CC1 ZINC000195117156 323278528 /nfs/dbraw/zinc/27/85/28/323278528.db2.gz QCEOHURAHMQBDI-UHFFFAOYSA-N 1 2 307.401 2.958 20 30 DFEDLO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1C1CC1 ZINC000195117156 323278531 /nfs/dbraw/zinc/27/85/31/323278531.db2.gz QCEOHURAHMQBDI-UHFFFAOYSA-N 1 2 307.401 2.958 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1cc(C(F)(F)F)on1 ZINC000580446303 323387636 /nfs/dbraw/zinc/38/76/36/323387636.db2.gz HPDOHQFODDEMDQ-UHFFFAOYSA-N 1 2 310.279 2.985 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000116944070 331468210 /nfs/dbraw/zinc/46/82/10/331468210.db2.gz YLGTZLLNEMKBKA-CYBMUJFWSA-N 1 2 300.406 2.999 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000116972210 331492787 /nfs/dbraw/zinc/49/27/87/331492787.db2.gz QVDUUSVMVDTNHC-IUODEOHRSA-N 1 2 316.380 2.912 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000556722204 331727200 /nfs/dbraw/zinc/72/72/00/331727200.db2.gz IIXFAWUQBNUYMU-GDBMZVCRSA-N 1 2 305.422 2.527 20 30 DFEDLO C=CCC1(C(=O)NCC2CC[NH+](CC(F)F)CC2)CCC1 ZINC000556941304 331756748 /nfs/dbraw/zinc/75/67/48/331756748.db2.gz JNKUABJGMYGGGP-UHFFFAOYSA-N 1 2 300.393 2.826 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C\c2cc(OCC)ccc2O)CC1 ZINC000255673638 331787269 /nfs/dbraw/zinc/78/72/69/331787269.db2.gz URXZBTJCPUGDDD-PDGQHHTCSA-N 1 2 320.389 2.831 20 30 DFEDLO N#CCCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccccn1 ZINC000081213093 331983508 /nfs/dbraw/zinc/98/35/08/331983508.db2.gz JRHAUKIMSMDOFA-UHFFFAOYSA-N 1 2 323.322 2.756 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000518212511 331997462 /nfs/dbraw/zinc/99/74/62/331997462.db2.gz OKLHSHQEINEYPC-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC(=O)C1CC1 ZINC000093090697 332133872 /nfs/dbraw/zinc/13/38/72/332133872.db2.gz XDYYBBHINMTCGH-GFCCVEGCSA-N 1 2 302.374 2.745 20 30 DFEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC(=O)C1CC1 ZINC000093090697 332133873 /nfs/dbraw/zinc/13/38/73/332133873.db2.gz XDYYBBHINMTCGH-GFCCVEGCSA-N 1 2 302.374 2.745 20 30 DFEDLO C[C@@H](C#N)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368088426 332268201 /nfs/dbraw/zinc/26/82/01/332268201.db2.gz FKUFDRVJERGBTQ-ZFWWWQNUSA-N 1 2 307.438 2.867 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152237238 332270845 /nfs/dbraw/zinc/27/08/45/332270845.db2.gz ISGVBUXVKZRSBY-OAHLLOKOSA-N 1 2 302.422 2.624 20 30 DFEDLO C=CCOc1ccccc1C(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000370937854 332310772 /nfs/dbraw/zinc/31/07/72/332310772.db2.gz VUZZVHWAYRKDEZ-UHFFFAOYSA-N 1 2 311.385 2.721 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119242723 332367535 /nfs/dbraw/zinc/36/75/35/332367535.db2.gz JBSFPERUBYNYTE-KBPBESRZSA-N 1 2 303.406 2.813 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119242723 332367536 /nfs/dbraw/zinc/36/75/36/332367536.db2.gz JBSFPERUBYNYTE-KBPBESRZSA-N 1 2 303.406 2.813 20 30 DFEDLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C#N)CC2)c1C ZINC000195314086 335107966 /nfs/dbraw/zinc/10/79/66/335107966.db2.gz MKBZMFAXHXIRGM-AWEZNQCLSA-N 1 2 317.433 2.731 20 30 DFEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000121522673 332396844 /nfs/dbraw/zinc/39/68/44/332396844.db2.gz GPVSLDYIMOSLCN-KRWDZBQOSA-N 1 2 312.442 2.834 20 30 DFEDLO CCCCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000122197061 332404639 /nfs/dbraw/zinc/40/46/39/332404639.db2.gz IJLSSXOMCOWOSZ-LLVKDONJSA-N 1 2 318.377 2.819 20 30 DFEDLO C[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000123460619 332424148 /nfs/dbraw/zinc/42/41/48/332424148.db2.gz BCDCHBBCOTYOEN-HUUCEWRRSA-N 1 2 300.406 2.767 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000185064418 335109532 /nfs/dbraw/zinc/10/95/32/335109532.db2.gz RIUTUQOUJYXYOP-DHZHZOJOSA-N 1 2 310.441 2.894 20 30 DFEDLO CCOc1ccc(O)c(/C=N/[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000133117759 332583314 /nfs/dbraw/zinc/58/33/14/332583314.db2.gz XHONGPRKODWEMX-SLDJAQPHSA-N 1 2 311.385 2.884 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000570114146 332713919 /nfs/dbraw/zinc/71/39/19/332713919.db2.gz UYUVEJHMCDMPHX-HNNXBMFYSA-N 1 2 323.400 2.503 20 30 DFEDLO N#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170879017 333041721 /nfs/dbraw/zinc/04/17/21/333041721.db2.gz XQTZFQQDQYYRKR-UHFFFAOYSA-N 1 2 315.352 2.504 20 30 DFEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174223675 333083472 /nfs/dbraw/zinc/08/34/72/333083472.db2.gz VZAVUKFUFIYBRZ-ZDUSSCGKSA-N 1 2 321.421 2.537 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)Cc1cccs1 ZINC000174876176 333092047 /nfs/dbraw/zinc/09/20/47/333092047.db2.gz RFAYLGRDRCICLI-UHFFFAOYSA-N 1 2 307.463 2.968 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)Cc1cccs1 ZINC000174876176 333092049 /nfs/dbraw/zinc/09/20/49/333092049.db2.gz RFAYLGRDRCICLI-UHFFFAOYSA-N 1 2 307.463 2.968 20 30 DFEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)COc2ccccc2)cs1 ZINC000177543749 333129942 /nfs/dbraw/zinc/12/99/42/333129942.db2.gz ORZNJZCYSMRFJW-LLVKDONJSA-N 1 2 321.402 2.718 20 30 DFEDLO CC#CCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000185265117 335124175 /nfs/dbraw/zinc/12/41/75/335124175.db2.gz QTBGDPBGXFXAPC-UHFFFAOYSA-N 1 2 313.445 2.566 20 30 DFEDLO Cc1cccc2[nH+]c(CN(CCC#N)Cc3ccccn3)cn21 ZINC000178382784 333137813 /nfs/dbraw/zinc/13/78/13/333137813.db2.gz FJTZMKPWXNIVJK-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181731565 333171850 /nfs/dbraw/zinc/17/18/50/333171850.db2.gz JIIOPRVJOHCQOD-LLVKDONJSA-N 1 2 311.788 2.892 20 30 DFEDLO CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000183909792 333189498 /nfs/dbraw/zinc/18/94/98/333189498.db2.gz NZIHZZIPCMKZIG-HZPDHXFCSA-N 1 2 317.458 2.585 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OC2CCCC2)c1 ZINC000582058389 333193417 /nfs/dbraw/zinc/19/34/17/333193417.db2.gz ZEWIKSRJXNJKPT-INIZCTEOSA-N 1 2 317.433 2.626 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OC2CCCC2)c1 ZINC000582058389 333193419 /nfs/dbraw/zinc/19/34/19/333193419.db2.gz ZEWIKSRJXNJKPT-INIZCTEOSA-N 1 2 317.433 2.626 20 30 DFEDLO Cn1cc([C@H]([NH2+]C[C@H](C#N)CCC#N)c2ccc(F)cc2)cn1 ZINC000185421274 333208648 /nfs/dbraw/zinc/20/86/48/333208648.db2.gz FWNVBWCMSBFELA-SUMWQHHRSA-N 1 2 311.364 2.682 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187163117 333228332 /nfs/dbraw/zinc/22/83/32/333228332.db2.gz GAEFGVDRSIRVQA-ZANVPECISA-N 1 2 315.186 2.856 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187163117 333228333 /nfs/dbraw/zinc/22/83/33/333228333.db2.gz GAEFGVDRSIRVQA-ZANVPECISA-N 1 2 315.186 2.856 20 30 DFEDLO COC(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)o1 ZINC000187961024 333239917 /nfs/dbraw/zinc/23/99/17/333239917.db2.gz OZSLPGPYCIMPOK-UHFFFAOYSA-N 1 2 315.329 2.756 20 30 DFEDLO C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949880 335129089 /nfs/dbraw/zinc/12/90/89/335129089.db2.gz INGLHPGLNRKPQS-ICSRJNTNSA-N 1 2 313.489 2.584 20 30 DFEDLO C=CCCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000364270160 333280625 /nfs/dbraw/zinc/28/06/25/333280625.db2.gz SJVLPJJEEWWCAO-OAHLLOKOSA-N 1 2 304.438 2.741 20 30 DFEDLO CC#CCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000185436615 335133436 /nfs/dbraw/zinc/13/34/36/335133436.db2.gz XFRHWJKMFUQOHF-UHFFFAOYSA-N 1 2 300.402 2.651 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364984513 333333721 /nfs/dbraw/zinc/33/37/21/333333721.db2.gz CFEXGEYWTDEVAL-HNNXBMFYSA-N 1 2 308.385 2.701 20 30 DFEDLO C#CCC1(C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000365026440 333334653 /nfs/dbraw/zinc/33/46/53/333334653.db2.gz HLVIKQZPEQINMA-MRXNPFEDSA-N 1 2 313.445 2.878 20 30 DFEDLO C=C(C)CN(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119080267 333342732 /nfs/dbraw/zinc/34/27/32/333342732.db2.gz PUIKUORWXRYSOK-UHFFFAOYSA-N 1 2 318.421 2.657 20 30 DFEDLO CCCCCCCC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365103796 333355156 /nfs/dbraw/zinc/35/51/56/333355156.db2.gz CUGYHPGMZLEBQP-GOSISDBHSA-N 1 2 323.525 2.833 20 30 DFEDLO Cc1csc([C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000525885964 335139082 /nfs/dbraw/zinc/13/90/82/335139082.db2.gz WEXBIKAOFFYTJW-CYBMUJFWSA-N 1 2 318.446 2.541 20 30 DFEDLO Cc1csc([C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000525885964 335139084 /nfs/dbraw/zinc/13/90/84/335139084.db2.gz WEXBIKAOFFYTJW-CYBMUJFWSA-N 1 2 318.446 2.541 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068325 335140956 /nfs/dbraw/zinc/14/09/56/335140956.db2.gz VCVMSBWZZUHQET-IRXDYDNUSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)C1=O ZINC000296068325 335140957 /nfs/dbraw/zinc/14/09/57/335140957.db2.gz VCVMSBWZZUHQET-IRXDYDNUSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068325 335140958 /nfs/dbraw/zinc/14/09/58/335140958.db2.gz VCVMSBWZZUHQET-IRXDYDNUSA-N 1 2 324.428 2.795 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1=O ZINC000296068325 335140959 /nfs/dbraw/zinc/14/09/59/335140959.db2.gz VCVMSBWZZUHQET-IRXDYDNUSA-N 1 2 324.428 2.795 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000185573387 335141517 /nfs/dbraw/zinc/14/15/17/335141517.db2.gz QDLHBSMSAZLUMK-HZPDHXFCSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CC[C@@H](CO)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174231 333474139 /nfs/dbraw/zinc/47/41/39/333474139.db2.gz CVJKDMFIFDRJMY-CQSZACIVSA-N 1 2 312.369 2.788 20 30 DFEDLO C=CCSCCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000338335245 333483588 /nfs/dbraw/zinc/48/35/88/333483588.db2.gz YKNLFJYTCHXHPY-UHFFFAOYSA-N 1 2 324.837 2.706 20 30 DFEDLO C#C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000296631626 335145178 /nfs/dbraw/zinc/14/51/78/335145178.db2.gz NMXUHMVCMVJWCI-CHWSQXEVSA-N 1 2 302.422 2.561 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000411218053 333644479 /nfs/dbraw/zinc/64/44/79/333644479.db2.gz NFTOADOYAQBDKR-GFCCVEGCSA-N 1 2 323.799 2.929 20 30 DFEDLO N#CCCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000571519405 333813664 /nfs/dbraw/zinc/81/36/64/333813664.db2.gz PTWOPMNIBIMTRZ-UHFFFAOYSA-N 1 2 311.389 2.560 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264858098 333960187 /nfs/dbraw/zinc/96/01/87/333960187.db2.gz LEWJJULQARRMQQ-INIZCTEOSA-N 1 2 308.385 2.845 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000272527443 334036716 /nfs/dbraw/zinc/03/67/16/334036716.db2.gz IBZGYSLRHIKOQL-UHFFFAOYSA-N 1 2 317.345 2.587 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000272617528 334038194 /nfs/dbraw/zinc/03/81/94/334038194.db2.gz UEJUWGYBIIKKAO-GOSISDBHSA-N 1 2 311.429 2.880 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCC#N)n2)C1 ZINC000272918924 334040984 /nfs/dbraw/zinc/04/09/84/334040984.db2.gz FQUCSRJLKGMMOU-LBPRGKRZSA-N 1 2 321.450 2.800 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCC#N)n2)C1 ZINC000272918924 334040985 /nfs/dbraw/zinc/04/09/85/334040985.db2.gz FQUCSRJLKGMMOU-LBPRGKRZSA-N 1 2 321.450 2.800 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272976166 334041653 /nfs/dbraw/zinc/04/16/53/334041653.db2.gz ADKFAFLWNHEANE-GFCCVEGCSA-N 1 2 316.323 2.681 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272976166 334041654 /nfs/dbraw/zinc/04/16/54/334041654.db2.gz ADKFAFLWNHEANE-GFCCVEGCSA-N 1 2 316.323 2.681 20 30 DFEDLO COc1ccc(Nc2cc(NCCCC#N)[nH+]cn2)c(OC)c1 ZINC000272979731 334041733 /nfs/dbraw/zinc/04/17/33/334041733.db2.gz AQRYXRMQMJBHMD-UHFFFAOYSA-N 1 2 313.361 2.953 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000273896779 334052792 /nfs/dbraw/zinc/05/27/92/334052792.db2.gz VCDYKYKEQFCGHH-SNVBAGLBSA-N 1 2 313.195 2.945 20 30 DFEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274386461 334060740 /nfs/dbraw/zinc/06/07/40/334060740.db2.gz ZMGXXBFEUULVGK-GOSISDBHSA-N 1 2 310.401 2.990 20 30 DFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000280455350 334117632 /nfs/dbraw/zinc/11/76/32/334117632.db2.gz NXUAOEVPNAYSRD-QGZVFWFLSA-N 1 2 319.474 2.895 20 30 DFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000280455350 334117633 /nfs/dbraw/zinc/11/76/33/334117633.db2.gz NXUAOEVPNAYSRD-QGZVFWFLSA-N 1 2 319.474 2.895 20 30 DFEDLO Cc1ccc(C(N)=[NH+]OCCCC2(C#N)CCOCC2)cc1F ZINC000281233163 334124343 /nfs/dbraw/zinc/12/43/43/334124343.db2.gz FNZNMIFGGKRYQM-UHFFFAOYSA-N 1 2 319.380 2.872 20 30 DFEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3nccs3)C2)CCOCC1 ZINC000281948777 334129999 /nfs/dbraw/zinc/12/99/99/334129999.db2.gz JJYRRQLWJXYTGX-AWEZNQCLSA-N 1 2 321.446 2.617 20 30 DFEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3nccs3)C2)CCOCC1 ZINC000281948777 334130000 /nfs/dbraw/zinc/13/00/00/334130000.db2.gz JJYRRQLWJXYTGX-AWEZNQCLSA-N 1 2 321.446 2.617 20 30 DFEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3nccs3)C2)CCOCC1 ZINC000281948780 334130050 /nfs/dbraw/zinc/13/00/50/334130050.db2.gz JJYRRQLWJXYTGX-CQSZACIVSA-N 1 2 321.446 2.617 20 30 DFEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3nccs3)C2)CCOCC1 ZINC000281948780 334130052 /nfs/dbraw/zinc/13/00/52/334130052.db2.gz JJYRRQLWJXYTGX-CQSZACIVSA-N 1 2 321.446 2.617 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000282046037 334130762 /nfs/dbraw/zinc/13/07/62/334130762.db2.gz VARRKXLGVVMTLL-UHFFFAOYSA-N 1 2 315.421 2.560 20 30 DFEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283977255 334141974 /nfs/dbraw/zinc/14/19/74/334141974.db2.gz GNXAIVCFSNDPNQ-AWEZNQCLSA-N 1 2 319.405 2.525 20 30 DFEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)[C@@H]3CCCO3)o2)cc1 ZINC000283992847 334142089 /nfs/dbraw/zinc/14/20/89/334142089.db2.gz HAAGDPNSSIFMER-ZDUSSCGKSA-N 1 2 301.346 2.618 20 30 DFEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284080753 334142468 /nfs/dbraw/zinc/14/24/68/334142468.db2.gz KNJRDLRLRKJDMC-DOMZBBRYSA-N 1 2 319.405 2.605 20 30 DFEDLO NC(=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CCCO1 ZINC000284617263 334144155 /nfs/dbraw/zinc/14/41/55/334144155.db2.gz ZKLJRKCHNIMMCS-LBPRGKRZSA-N 1 2 321.764 2.963 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000286792389 334154427 /nfs/dbraw/zinc/15/44/27/334154427.db2.gz PWHIRDMBDAYAHT-KRWDZBQOSA-N 1 2 319.836 2.924 20 30 DFEDLO COc1nc(C)cc(C)c1CO[NH+]=C(N)Cc1csc(C)n1 ZINC000288663276 334161536 /nfs/dbraw/zinc/16/15/36/334161536.db2.gz ROZAECHNSCTQMQ-UHFFFAOYSA-N 1 2 320.418 2.503 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)CCCC#N)c1)[NH+]1CCOCC1 ZINC000291739788 334181326 /nfs/dbraw/zinc/18/13/26/334181326.db2.gz RNXFELIPQYSDQF-AWEZNQCLSA-N 1 2 301.390 2.712 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000292056992 334184069 /nfs/dbraw/zinc/18/40/69/334184069.db2.gz BICPMGZHGBHUON-GJZGRUSLSA-N 1 2 300.381 2.780 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000292056992 334184070 /nfs/dbraw/zinc/18/40/70/334184070.db2.gz BICPMGZHGBHUON-GJZGRUSLSA-N 1 2 300.381 2.780 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000292307374 334186595 /nfs/dbraw/zinc/18/65/95/334186595.db2.gz VBXKIHCTTHSILV-KRWDZBQOSA-N 1 2 302.418 2.753 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000292307374 334186596 /nfs/dbraw/zinc/18/65/96/334186596.db2.gz VBXKIHCTTHSILV-KRWDZBQOSA-N 1 2 302.418 2.753 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551080 334189183 /nfs/dbraw/zinc/18/91/83/334189183.db2.gz YPCXJMBZWAFCOO-AHCXZYCDSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292551080 334189184 /nfs/dbraw/zinc/18/91/84/334189184.db2.gz YPCXJMBZWAFCOO-AHCXZYCDSA-N 1 2 313.445 2.919 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005554 334195120 /nfs/dbraw/zinc/19/51/20/334195120.db2.gz HBRPEQLKHOUXHX-HOCLYGCPSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005554 334195123 /nfs/dbraw/zinc/19/51/23/334195123.db2.gz HBRPEQLKHOUXHX-HOCLYGCPSA-N 1 2 317.820 2.676 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000293292421 334196912 /nfs/dbraw/zinc/19/69/12/334196912.db2.gz HTRDEHPUAZTGJO-UHFFFAOYSA-N 1 2 307.353 2.575 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293312759 334197061 /nfs/dbraw/zinc/19/70/61/334197061.db2.gz BXUVXCGRJSPSSF-ROUUACIJSA-N 1 2 313.445 2.895 20 30 DFEDLO N#C[C@]1(C(=O)NCCCCNc2cccc[nH+]2)CC12CCCC2 ZINC000294654773 334212046 /nfs/dbraw/zinc/21/20/46/334212046.db2.gz RNBISBOLVPEMDG-SFHVURJKSA-N 1 2 312.417 2.864 20 30 DFEDLO CC(C)(CC#N)CS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000295426431 334223084 /nfs/dbraw/zinc/22/30/84/334223084.db2.gz YSMVIMMRPGQYCU-UHFFFAOYSA-N 1 2 319.386 2.521 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(CC#N)cc2)CC1(C)C ZINC000296020484 334229254 /nfs/dbraw/zinc/22/92/54/334229254.db2.gz WZYRYQNTANXJBB-OAHLLOKOSA-N 1 2 308.385 2.709 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000296307500 334231719 /nfs/dbraw/zinc/23/17/19/334231719.db2.gz AFQYFKYEMQVHDD-OAHLLOKOSA-N 1 2 311.389 2.747 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000299174353 334253851 /nfs/dbraw/zinc/25/38/51/334253851.db2.gz VPRWGYGYSLJIKQ-GDBMZVCRSA-N 1 2 304.434 2.815 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000299174353 334253852 /nfs/dbraw/zinc/25/38/52/334253852.db2.gz VPRWGYGYSLJIKQ-GDBMZVCRSA-N 1 2 304.434 2.815 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000531924398 334292644 /nfs/dbraw/zinc/29/26/44/334292644.db2.gz VGECGDHANVSFCE-UHFFFAOYSA-N 1 2 317.352 2.894 20 30 DFEDLO C=CC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000121611819 334354707 /nfs/dbraw/zinc/35/47/07/334354707.db2.gz HVYHCRMNIUSGET-UHFFFAOYSA-N 1 2 302.277 2.823 20 30 DFEDLO C=CC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000121611819 334354708 /nfs/dbraw/zinc/35/47/08/334354708.db2.gz HVYHCRMNIUSGET-UHFFFAOYSA-N 1 2 302.277 2.823 20 30 DFEDLO C=C1CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)CC1 ZINC000342000026 334499843 /nfs/dbraw/zinc/49/98/43/334499843.db2.gz XWIOIUBNZUVTIN-UHFFFAOYSA-N 1 2 304.390 2.643 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342851570 334582740 /nfs/dbraw/zinc/58/27/40/334582740.db2.gz QFVMITGXAGBEKW-OAHLLOKOSA-N 1 2 305.422 2.879 20 30 DFEDLO C=CCCOCCCCC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000342960158 334592557 /nfs/dbraw/zinc/59/25/57/334592557.db2.gz MGYQEORFMMLEEB-HNNXBMFYSA-N 1 2 305.422 2.640 20 30 DFEDLO C=C(C)CS(=O)(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000416478960 334668372 /nfs/dbraw/zinc/66/83/72/334668372.db2.gz GDIKXUBZRBTVCI-UHFFFAOYSA-N 1 2 319.430 2.675 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc3c[nH]nc31)CCC2 ZINC000328644648 334745425 /nfs/dbraw/zinc/74/54/25/334745425.db2.gz GAQFADCVXTTZGP-CYBMUJFWSA-N 1 2 309.373 2.950 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCCOC1)C2 ZINC000328821836 334755930 /nfs/dbraw/zinc/75/59/30/334755930.db2.gz FZPVMTKTVHEDHD-OLZOCXBDSA-N 1 2 305.422 2.879 20 30 DFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ncoc1C1CC1 ZINC000328784880 334756895 /nfs/dbraw/zinc/75/68/95/334756895.db2.gz VUZAHNOKMRJZEQ-UHFFFAOYSA-N 1 2 312.373 2.921 20 30 DFEDLO CCc1onc(C)c1[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000328881918 334763300 /nfs/dbraw/zinc/76/33/00/334763300.db2.gz LMCQTUQHSGYZEM-UHFFFAOYSA-N 1 2 303.366 2.625 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000328913800 334768059 /nfs/dbraw/zinc/76/80/59/334768059.db2.gz IMFPAJLLWMSHJP-LLVKDONJSA-N 1 2 317.418 2.789 20 30 DFEDLO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241768 334850030 /nfs/dbraw/zinc/85/00/30/334850030.db2.gz QITWYCOEOVPECB-GXFFZTMASA-N 1 2 306.410 2.636 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000353781492 334921607 /nfs/dbraw/zinc/92/16/07/334921607.db2.gz WYQHIERVRFQYAE-HNNXBMFYSA-N 1 2 305.765 2.791 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](C#N)C(C)C)Cc1ccccc1Cl ZINC000343651630 335185021 /nfs/dbraw/zinc/18/50/21/335185021.db2.gz GMCKMEFXOWTYSG-HNNXBMFYSA-N 1 2 307.825 2.826 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](C#N)C(C)C)Cc1ccccc1Cl ZINC000343651630 335185023 /nfs/dbraw/zinc/18/50/23/335185023.db2.gz GMCKMEFXOWTYSG-HNNXBMFYSA-N 1 2 307.825 2.826 20 30 DFEDLO CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCS1 ZINC000328600450 335369151 /nfs/dbraw/zinc/36/91/51/335369151.db2.gz CZOWXWPYXQKYGA-KBPBESRZSA-N 1 2 322.478 2.748 20 30 DFEDLO CN(C)c1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c[nH+]1 ZINC000347114197 335466925 /nfs/dbraw/zinc/46/69/25/335466925.db2.gz SQYGYMFVFUGCSX-QGZVFWFLSA-N 1 2 322.412 2.851 20 30 DFEDLO C=CCC[C@H](O)C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000348303639 335574480 /nfs/dbraw/zinc/57/44/80/335574480.db2.gz BUKHLZOGCYLVNN-HIFRSBDPSA-N 1 2 301.390 2.638 20 30 DFEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000349472872 335674537 /nfs/dbraw/zinc/67/45/37/335674537.db2.gz HEHPBYUEQVIRLQ-ZDUSSCGKSA-N 1 2 322.290 2.673 20 30 DFEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000349584957 335682692 /nfs/dbraw/zinc/68/26/92/335682692.db2.gz IRQJMQATJQZXMH-UHFFFAOYSA-N 1 2 302.418 2.552 20 30 DFEDLO CCn1c(C[NH2+]CCC#N)nc2cc(Br)ccc21 ZINC000519594115 335879757 /nfs/dbraw/zinc/87/97/57/335879757.db2.gz CZIOIFPDAYHVIX-UHFFFAOYSA-N 1 2 307.195 2.822 20 30 DFEDLO CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329449260 335977510 /nfs/dbraw/zinc/97/75/10/335977510.db2.gz LGVIPSBRVIGMKQ-RBSFLKMASA-N 1 2 305.422 2.996 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329601200 336002861 /nfs/dbraw/zinc/00/28/61/336002861.db2.gz KMNFOXPYQNDVJZ-UONOGXRCSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329601200 336002862 /nfs/dbraw/zinc/00/28/62/336002862.db2.gz KMNFOXPYQNDVJZ-UONOGXRCSA-N 1 2 304.438 2.939 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCCS1 ZINC000329609621 336004918 /nfs/dbraw/zinc/00/49/18/336004918.db2.gz BXBNODGCVNXDBM-CYBMUJFWSA-N 1 2 310.467 2.828 20 30 DFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCCCS2)no1 ZINC000329650681 336028482 /nfs/dbraw/zinc/02/84/82/336028482.db2.gz KNOZJTPSGRNTKT-JTQLQIEISA-N 1 2 312.439 2.609 20 30 DFEDLO CCN(CCOC)c1cccc(CN(CC#N)C2CCCC2)[nH+]1 ZINC000351514270 336039681 /nfs/dbraw/zinc/03/96/81/336039681.db2.gz NYFJOFMWODDAQR-UHFFFAOYSA-N 1 2 316.449 2.822 20 30 DFEDLO CCN(CCOC)c1cccc(CN(C[C@@H](C)C#N)C2CC2)[nH+]1 ZINC000351711306 336061490 /nfs/dbraw/zinc/06/14/90/336061490.db2.gz HJPTTWRKNHOAII-HNNXBMFYSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000351711306 336061491 /nfs/dbraw/zinc/06/14/91/336061491.db2.gz HJPTTWRKNHOAII-HNNXBMFYSA-N 1 2 316.449 2.678 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000351711306 336061493 /nfs/dbraw/zinc/06/14/93/336061493.db2.gz HJPTTWRKNHOAII-HNNXBMFYSA-N 1 2 316.449 2.678 20 30 DFEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2)C[C@@H]1n1cc[nH+]c1 ZINC000329758425 336078417 /nfs/dbraw/zinc/07/84/17/336078417.db2.gz NOBMMIJVAPFDNM-ILXRZTDVSA-N 1 2 322.478 2.966 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCCCS2)C[C@@H]1n1cc[nH+]c1 ZINC000329758425 336078418 /nfs/dbraw/zinc/07/84/18/336078418.db2.gz NOBMMIJVAPFDNM-ILXRZTDVSA-N 1 2 322.478 2.966 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329773626 336080276 /nfs/dbraw/zinc/08/02/76/336080276.db2.gz ICAVSGXAFJAKEG-CJNGLKHVSA-N 1 2 320.437 2.514 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329773626 336080277 /nfs/dbraw/zinc/08/02/77/336080277.db2.gz ICAVSGXAFJAKEG-CJNGLKHVSA-N 1 2 320.437 2.514 20 30 DFEDLO C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329771591 336080388 /nfs/dbraw/zinc/08/03/88/336080388.db2.gz JZDFBTYIFMODNL-CHWSQXEVSA-N 1 2 304.438 2.894 20 30 DFEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329779964 336080831 /nfs/dbraw/zinc/08/08/31/336080831.db2.gz RLNAZXISGFSFAQ-DMRKSPOLSA-N 1 2 323.481 2.568 20 30 DFEDLO CC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000330021590 336106643 /nfs/dbraw/zinc/10/66/43/336106643.db2.gz YBNVTDNNJHBIMH-HRCADAONSA-N 1 2 310.438 2.544 20 30 DFEDLO CC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000330021590 336106645 /nfs/dbraw/zinc/10/66/45/336106645.db2.gz YBNVTDNNJHBIMH-HRCADAONSA-N 1 2 310.438 2.544 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS[C@H](C)CC1)CCC2 ZINC000330205400 336124163 /nfs/dbraw/zinc/12/41/63/336124163.db2.gz CKSBNEUINVMCPY-KGLIPLIRSA-N 1 2 322.478 2.810 20 30 DFEDLO CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330241916 336128750 /nfs/dbraw/zinc/12/87/50/336128750.db2.gz JEUUZXVIBRQHAY-SNVBAGLBSA-N 1 2 304.419 2.957 20 30 DFEDLO Cc1cccc2c1OC[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000330259852 336130723 /nfs/dbraw/zinc/13/07/23/336130723.db2.gz SHPSVSNRFFINJM-HUUCEWRRSA-N 1 2 311.385 2.714 20 30 DFEDLO CCS[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330262531 336131219 /nfs/dbraw/zinc/13/12/19/336131219.db2.gz VDTBXWKVZVNFIU-MELADBBJSA-N 1 2 322.478 2.766 20 30 DFEDLO CCS[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330262531 336131220 /nfs/dbraw/zinc/13/12/20/336131220.db2.gz VDTBXWKVZVNFIU-MELADBBJSA-N 1 2 322.478 2.766 20 30 DFEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330274877 336132583 /nfs/dbraw/zinc/13/25/83/336132583.db2.gz KTERIVLULGZPOW-BFJAYTPKSA-N 1 2 321.421 2.802 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCc2ccccc21 ZINC000330281030 336133258 /nfs/dbraw/zinc/13/32/58/336133258.db2.gz UAZYYSMAOHMPHS-ZBFHGGJFSA-N 1 2 310.401 2.731 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCOC1 ZINC000330285648 336133559 /nfs/dbraw/zinc/13/35/59/336133559.db2.gz ZFESURSAOVBYME-GJZGRUSLSA-N 1 2 320.437 2.771 20 30 DFEDLO Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CCn3cc[nH+]c3C1)CO2 ZINC000330297873 336137319 /nfs/dbraw/zinc/13/73/19/336137319.db2.gz HCXCGSQPBIWHHR-UKRRQHHQSA-N 1 2 311.385 2.947 20 30 DFEDLO Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C#N)sc2c1 ZINC000331559994 336140257 /nfs/dbraw/zinc/14/02/57/336140257.db2.gz XWRZNFFJOCJFMZ-NWDGAFQWSA-N 1 2 314.414 2.825 20 30 DFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000331659731 336143592 /nfs/dbraw/zinc/14/35/92/336143592.db2.gz VYQUDKWUTWWUSP-CQSZACIVSA-N 1 2 302.422 2.977 20 30 DFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000331659731 336143594 /nfs/dbraw/zinc/14/35/94/336143594.db2.gz VYQUDKWUTWWUSP-CQSZACIVSA-N 1 2 302.422 2.977 20 30 DFEDLO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296117 336167140 /nfs/dbraw/zinc/16/71/40/336167140.db2.gz IDDWFCOKOUUDRH-HUUCEWRRSA-N 1 2 306.454 2.585 20 30 DFEDLO CCN1CCN(C(=O)N[C@H]2CC[C@H](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330334669 336167689 /nfs/dbraw/zinc/16/76/89/336167689.db2.gz QVAAFNBHKROZSS-KKUMJFAQSA-N 1 2 319.453 2.581 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000332655785 336177643 /nfs/dbraw/zinc/17/76/43/336177643.db2.gz DWYSDAUOHUBALS-KBPBESRZSA-N 1 2 323.412 2.532 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000332655785 336177644 /nfs/dbraw/zinc/17/76/44/336177644.db2.gz DWYSDAUOHUBALS-KBPBESRZSA-N 1 2 323.412 2.532 20 30 DFEDLO CC[C@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)C[C@@]2(CCOC2)O1 ZINC000330361947 336181411 /nfs/dbraw/zinc/18/14/11/336181411.db2.gz YYIZBDOAUDOHEQ-WMLDXEAASA-N 1 2 319.405 2.514 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000333560109 336205516 /nfs/dbraw/zinc/20/55/16/336205516.db2.gz GXDYQINVNGYJOR-RCBQFDQVSA-N 1 2 301.365 2.603 20 30 DFEDLO CCC[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352441813 336219190 /nfs/dbraw/zinc/21/91/90/336219190.db2.gz DMTUZYIHGVTBHQ-MRXNPFEDSA-N 1 2 317.408 2.972 20 30 DFEDLO CCOc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1[N+](=O)[O-] ZINC000352449097 336219696 /nfs/dbraw/zinc/21/96/96/336219696.db2.gz KURHGJOHBMKZHW-UHFFFAOYSA-N 1 2 307.325 2.821 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)C1=O ZINC000352901858 336375357 /nfs/dbraw/zinc/37/53/57/336375357.db2.gz LJVYROGHCRBWOW-KRWDZBQOSA-N 1 2 316.449 2.629 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)C1=O ZINC000352901858 336375358 /nfs/dbraw/zinc/37/53/58/336375358.db2.gz LJVYROGHCRBWOW-KRWDZBQOSA-N 1 2 316.449 2.629 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)CC)Cc1cnn(C(C)C)c1 ZINC000352905767 336375828 /nfs/dbraw/zinc/37/58/28/336375828.db2.gz ZCTHGPOFVJONIT-HNNXBMFYSA-N 1 2 306.454 2.757 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)CC)Cc1cnn(C(C)C)c1 ZINC000352905767 336375829 /nfs/dbraw/zinc/37/58/29/336375829.db2.gz ZCTHGPOFVJONIT-HNNXBMFYSA-N 1 2 306.454 2.757 20 30 DFEDLO N#CCCCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000355770202 336521485 /nfs/dbraw/zinc/52/14/85/336521485.db2.gz BQNLUVKSEUANQZ-UHFFFAOYSA-N 1 2 317.414 2.946 20 30 DFEDLO N#CCSCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000355979639 336530758 /nfs/dbraw/zinc/53/07/58/336530758.db2.gz DAQKWEBGUJOGNS-UHFFFAOYSA-N 1 2 311.370 2.738 20 30 DFEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000356009130 336532028 /nfs/dbraw/zinc/53/20/28/336532028.db2.gz XQVLGBYQCCWWEC-UHFFFAOYSA-N 1 2 319.474 2.842 20 30 DFEDLO C=CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000357572966 336591060 /nfs/dbraw/zinc/59/10/60/336591060.db2.gz RJMCNIPRYRWGOM-UHFFFAOYSA-N 1 2 310.401 2.791 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000357653990 336593419 /nfs/dbraw/zinc/59/34/19/336593419.db2.gz KCQNTBGWOQIHLM-LBPRGKRZSA-N 1 2 319.361 2.604 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000360011336 336697550 /nfs/dbraw/zinc/69/75/50/336697550.db2.gz VBURUNMDQUYGGH-UHFFFAOYSA-N 1 2 316.364 2.868 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1CCC[C@H]1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000360070394 336700465 /nfs/dbraw/zinc/70/04/65/336700465.db2.gz HQFCKYLSRIDYNB-QRTARXTBSA-N 1 2 323.400 2.925 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000373263362 336954760 /nfs/dbraw/zinc/95/47/60/336954760.db2.gz GYTTWQRGLSTCDH-WCXIOVBPSA-N 1 2 317.433 2.664 20 30 DFEDLO C=CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000373997635 336978777 /nfs/dbraw/zinc/97/87/77/336978777.db2.gz CHJRVGUBBGXWNK-OAHLLOKOSA-N 1 2 316.380 2.866 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1OC ZINC000375333362 337008430 /nfs/dbraw/zinc/00/84/30/337008430.db2.gz PFNNTCYALHQJRT-SFHVURJKSA-N 1 2 303.402 2.871 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1OC ZINC000375333362 337008431 /nfs/dbraw/zinc/00/84/31/337008431.db2.gz PFNNTCYALHQJRT-SFHVURJKSA-N 1 2 303.402 2.871 20 30 DFEDLO CCCc1nnc([C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)[nH]1 ZINC000375407898 337010741 /nfs/dbraw/zinc/01/07/41/337010741.db2.gz YYRHWZIJXCIDMC-CQSZACIVSA-N 1 2 319.453 2.851 20 30 DFEDLO CCCc1nnc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)[nH]1 ZINC000375407898 337010742 /nfs/dbraw/zinc/01/07/42/337010742.db2.gz YYRHWZIJXCIDMC-CQSZACIVSA-N 1 2 319.453 2.851 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000375635273 337015271 /nfs/dbraw/zinc/01/52/71/337015271.db2.gz OYYYUPZSYYBYAG-CQSZACIVSA-N 1 2 302.422 2.704 20 30 DFEDLO C=C(CNC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000376903270 337043535 /nfs/dbraw/zinc/04/35/35/337043535.db2.gz MTTGMIFRGGSAJJ-MRXNPFEDSA-N 1 2 310.401 2.773 20 30 DFEDLO C=C(CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000377035986 337045812 /nfs/dbraw/zinc/04/58/12/337045812.db2.gz WBYRGDGXNGYPFP-KRWDZBQOSA-N 1 2 310.401 2.943 20 30 DFEDLO C=C(CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000377056386 337046167 /nfs/dbraw/zinc/04/61/67/337046167.db2.gz LZGMVGFWWMTNKG-INIZCTEOSA-N 1 2 324.428 2.800 20 30 DFEDLO C[N@@H+]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1c1ccccc1Cl ZINC000377099749 337046778 /nfs/dbraw/zinc/04/67/78/337046778.db2.gz NMPAQGRXJQVBTP-CQSZACIVSA-N 1 2 305.809 2.705 20 30 DFEDLO C[N@H+]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1c1ccccc1Cl ZINC000377099749 337046779 /nfs/dbraw/zinc/04/67/79/337046779.db2.gz NMPAQGRXJQVBTP-CQSZACIVSA-N 1 2 305.809 2.705 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377107801 337046947 /nfs/dbraw/zinc/04/69/47/337046947.db2.gz LLFVHEGNUWPHPA-OAHLLOKOSA-N 1 2 314.433 2.744 20 30 DFEDLO N#CC1(c2ccc(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)cc2)CC1 ZINC000378519645 337075032 /nfs/dbraw/zinc/07/50/32/337075032.db2.gz QIRUDCBHCKTNGS-HNNXBMFYSA-N 1 2 320.396 2.746 20 30 DFEDLO N#CCCC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000582788653 337166281 /nfs/dbraw/zinc/16/62/81/337166281.db2.gz KHJSJBTUHIFCMB-WMZOPIPTSA-N 1 2 322.412 2.997 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000181282756 337180916 /nfs/dbraw/zinc/18/09/16/337180916.db2.gz JPFWFXIQSJDSPN-UHFFFAOYSA-N 1 2 308.403 2.629 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000181282756 337180917 /nfs/dbraw/zinc/18/09/17/337180917.db2.gz JPFWFXIQSJDSPN-UHFFFAOYSA-N 1 2 308.403 2.629 20 30 DFEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000182144317 337186723 /nfs/dbraw/zinc/18/67/23/337186723.db2.gz KCDGYILOORZLLX-CHWSQXEVSA-N 1 2 310.357 2.690 20 30 DFEDLO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184024888 337194569 /nfs/dbraw/zinc/19/45/69/337194569.db2.gz YVUAWYHYOWMRRI-HNNXBMFYSA-N 1 2 320.437 2.590 20 30 DFEDLO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184024888 337194570 /nfs/dbraw/zinc/19/45/70/337194570.db2.gz YVUAWYHYOWMRRI-HNNXBMFYSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000191080703 337293513 /nfs/dbraw/zinc/29/35/13/337293513.db2.gz XUOVWOVWYKHHOL-UHFFFAOYSA-N 1 2 319.430 2.678 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000191080703 337293514 /nfs/dbraw/zinc/29/35/14/337293514.db2.gz XUOVWOVWYKHHOL-UHFFFAOYSA-N 1 2 319.430 2.678 20 30 DFEDLO N#CCN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092936284 337910574 /nfs/dbraw/zinc/91/05/74/337910574.db2.gz YHZSLILVGKZFEM-UHFFFAOYSA-N 1 2 304.444 2.513 20 30 DFEDLO C=CCC1(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CCOCC1 ZINC000424731222 337956019 /nfs/dbraw/zinc/95/60/19/337956019.db2.gz FSSCQWXLIHSOCI-OAHLLOKOSA-N 1 2 317.433 2.558 20 30 DFEDLO CCC(CC)Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000514942082 337974653 /nfs/dbraw/zinc/97/46/53/337974653.db2.gz QBUJDYPDWGDNQK-SFHVURJKSA-N 1 2 317.433 2.828 20 30 DFEDLO COc1ccc(OC(F)F)c(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000515264769 337984095 /nfs/dbraw/zinc/98/40/95/337984095.db2.gz QQLXRHUHCINOLF-LLVKDONJSA-N 1 2 309.316 2.830 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000432107881 338145754 /nfs/dbraw/zinc/14/57/54/338145754.db2.gz MBHYSVYDPITXAJ-AWEZNQCLSA-N 1 2 304.438 2.970 20 30 DFEDLO COCCc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433015872 338176378 /nfs/dbraw/zinc/17/63/78/338176378.db2.gz YWKLQRPFDNZWNG-OAHLLOKOSA-N 1 2 314.389 2.783 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433286665 338189354 /nfs/dbraw/zinc/18/93/54/338189354.db2.gz JRLRNXSNIDXKQS-UHFFFAOYSA-N 1 2 305.397 2.656 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433286665 338189355 /nfs/dbraw/zinc/18/93/55/338189355.db2.gz JRLRNXSNIDXKQS-UHFFFAOYSA-N 1 2 305.397 2.656 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000448587695 338308298 /nfs/dbraw/zinc/30/82/98/338308298.db2.gz NSPXAMNOLAOQQD-GUYCJALGSA-N 1 2 317.820 2.534 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000437528591 338312882 /nfs/dbraw/zinc/31/28/82/338312882.db2.gz YBCGOUBALMCZDY-RDJZCZTQSA-N 1 2 311.385 2.583 20 30 DFEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439035117 338359255 /nfs/dbraw/zinc/35/92/55/338359255.db2.gz UGVHYBRNVBOWSD-UHFFFAOYSA-N 1 2 320.356 2.677 20 30 DFEDLO C=CC[N@@H+](Cc1nnn(CC(F)(F)F)n1)CC1CCCCC1 ZINC000440710344 338395742 /nfs/dbraw/zinc/39/57/42/338395742.db2.gz GJSVLNUEUOOJQD-UHFFFAOYSA-N 1 2 317.359 2.804 20 30 DFEDLO C=CC[N@H+](Cc1nnn(CC(F)(F)F)n1)CC1CCCCC1 ZINC000440710344 338395743 /nfs/dbraw/zinc/39/57/43/338395743.db2.gz GJSVLNUEUOOJQD-UHFFFAOYSA-N 1 2 317.359 2.804 20 30 DFEDLO C=CCOCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441506108 338415807 /nfs/dbraw/zinc/41/58/07/338415807.db2.gz ZTWYJWUMINRAAC-KRWDZBQOSA-N 1 2 313.401 2.560 20 30 DFEDLO C=CCCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000447954947 338572896 /nfs/dbraw/zinc/57/28/96/338572896.db2.gz NJJINRMDDGEOIX-AWEZNQCLSA-N 1 2 311.376 2.833 20 30 DFEDLO C[C@H](c1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000448907841 338579442 /nfs/dbraw/zinc/57/94/42/338579442.db2.gz HPNILHYSINIBRI-IYOUNJFTSA-N 1 2 313.401 2.568 20 30 DFEDLO C=CCOc1ccc(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000450368386 338680165 /nfs/dbraw/zinc/68/01/65/338680165.db2.gz GMNLREVLGUZKAZ-INIZCTEOSA-N 1 2 311.385 2.881 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000455272237 338888419 /nfs/dbraw/zinc/88/84/19/338888419.db2.gz KGUNOBQDWMAPAQ-GJZGRUSLSA-N 1 2 315.421 2.655 20 30 DFEDLO CN(C(=O)NCC(C)(C)C#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458656573 339002735 /nfs/dbraw/zinc/00/27/35/339002735.db2.gz QBAKNURWXFVBLQ-CQSZACIVSA-N 1 2 311.389 2.690 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000458811126 339006221 /nfs/dbraw/zinc/00/62/21/339006221.db2.gz OJHGTMDNQOUCTK-OAHLLOKOSA-N 1 2 318.465 2.987 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286948 339229917 /nfs/dbraw/zinc/22/99/17/339229917.db2.gz BSNOKPZMQHWBIX-PVAVHDDUSA-N 1 2 317.816 2.965 20 30 DFEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000467286948 339229918 /nfs/dbraw/zinc/22/99/18/339229918.db2.gz BSNOKPZMQHWBIX-PVAVHDDUSA-N 1 2 317.816 2.965 20 30 DFEDLO C#CCn1ccc(CN(CC)c2[nH+]c3cccc(F)c3n2C)n1 ZINC000491142984 339850696 /nfs/dbraw/zinc/85/06/96/339850696.db2.gz FFACOPKYSNGHMN-UHFFFAOYSA-N 1 2 311.364 2.569 20 30 DFEDLO CC#CCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498850833 340024405 /nfs/dbraw/zinc/02/44/05/340024405.db2.gz PBGQXDSKYPJUHI-UHFFFAOYSA-N 1 2 310.357 2.861 20 30 DFEDLO CC[C@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000505259862 340165016 /nfs/dbraw/zinc/16/50/16/340165016.db2.gz KYUQFBPAYLBAEJ-GOSISDBHSA-N 1 2 315.461 2.728 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510098926 340288720 /nfs/dbraw/zinc/28/87/20/340288720.db2.gz LTZJOCRXMCFHBN-AWEZNQCLSA-N 1 2 301.381 2.598 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cc(CC#N)ccn1 ZINC000547803663 341233410 /nfs/dbraw/zinc/23/34/10/341233410.db2.gz ZYOGQACMAHUMFZ-UHFFFAOYSA-N 1 2 319.368 2.835 20 30 DFEDLO C[C@H](C#N)CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000554813600 341464991 /nfs/dbraw/zinc/46/49/91/341464991.db2.gz SHBYXPMVAOARTA-CQSZACIVSA-N 1 2 308.385 2.696 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COC(C)C ZINC000565784684 341538126 /nfs/dbraw/zinc/53/81/26/341538126.db2.gz ZOERZFDPFLYGAP-KRWDZBQOSA-N 1 2 317.433 2.510 20 30 DFEDLO COC[C@](C)(C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000156244409 341618669 /nfs/dbraw/zinc/61/86/69/341618669.db2.gz QMVXQIJEGQJOIU-KRWDZBQOSA-N 1 2 311.341 2.532 20 30 DFEDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000273124585 341633396 /nfs/dbraw/zinc/63/33/96/341633396.db2.gz HUZWIOSXEOXCCQ-LLVKDONJSA-N 1 2 302.403 2.854 20 30 DFEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cccc1-c1ccccn1 ZINC000573493834 341730004 /nfs/dbraw/zinc/73/00/04/341730004.db2.gz GSHMOTOQILHWKE-IBGZPJMESA-N 1 2 322.412 2.631 20 30 DFEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000575926015 341815121 /nfs/dbraw/zinc/81/51/21/341815121.db2.gz INULNMFTJKKHHA-SUMWQHHRSA-N 1 2 321.852 2.869 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1Cl ZINC000578001690 341967207 /nfs/dbraw/zinc/96/72/07/341967207.db2.gz GSCHYUBEZKNDII-ZDUSSCGKSA-N 1 2 300.189 2.567 20 30 DFEDLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1cnn(C)c1 ZINC000364942747 525557986 /nfs/dbraw/zinc/55/79/86/525557986.db2.gz UDVXGKDANVOOHD-GFCCVEGCSA-N 1 2 307.357 2.798 20 30 DFEDLO N#Cc1cc(Cl)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369083658 526552872 /nfs/dbraw/zinc/55/28/72/526552872.db2.gz JEMRMSWNSLBYTH-OAHLLOKOSA-N 1 2 316.792 2.885 20 30 DFEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000157622485 526570697 /nfs/dbraw/zinc/57/06/97/526570697.db2.gz KNCUIXNWMCEPTN-UHFFFAOYSA-N 1 2 307.313 2.769 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302220803 527227704 /nfs/dbraw/zinc/22/77/04/527227704.db2.gz MFDZADPPOWFDLE-UHFFFAOYSA-N 1 2 320.396 2.873 20 30 DFEDLO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C12CCOCC2 ZINC000302227606 528105885 /nfs/dbraw/zinc/10/58/85/528105885.db2.gz ABNUYSGVIIFAIC-SJORKVTESA-N 1 2 315.417 2.956 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361483327 536153677 /nfs/dbraw/zinc/15/36/77/536153677.db2.gz DGVGQDCYTHMOTO-DOTOQJQBSA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361483327 536153681 /nfs/dbraw/zinc/15/36/81/536153681.db2.gz DGVGQDCYTHMOTO-DOTOQJQBSA-N 1 2 320.820 2.982 20 30 DFEDLO O[C@H](C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866552 545555116 /nfs/dbraw/zinc/55/51/16/545555116.db2.gz RJBSJQCIHVRICM-HCWXCVPCSA-N 1 2 319.167 2.582 20 30 DFEDLO O[C@@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866554 545555361 /nfs/dbraw/zinc/55/53/61/545555361.db2.gz RJBSJQCIHVRICM-JKUQZMGJSA-N 1 2 319.167 2.582 20 30 DFEDLO O[C@@H](C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000680866554 545555363 /nfs/dbraw/zinc/55/53/63/545555363.db2.gz RJBSJQCIHVRICM-JKUQZMGJSA-N 1 2 319.167 2.582 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682429262 545846630 /nfs/dbraw/zinc/84/66/30/545846630.db2.gz KPGMTIDTYSIDBH-INIZCTEOSA-N 1 2 312.417 2.921 20 30 DFEDLO C=C[C@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000683837940 546105592 /nfs/dbraw/zinc/10/55/92/546105592.db2.gz WGBGQCQAIDFEQC-INIZCTEOSA-N 1 2 312.417 2.935 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CCCC[C@H]1c1c[nH+]cn1C)OCC ZINC000685306691 546340497 /nfs/dbraw/zinc/34/04/97/546340497.db2.gz ICUDTICARIALBB-HOCLYGCPSA-N 1 2 305.422 2.845 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1c1c[nH+]cn1C)OCC ZINC000685306688 546340733 /nfs/dbraw/zinc/34/07/33/546340733.db2.gz ICUDTICARIALBB-GDBMZVCRSA-N 1 2 305.422 2.845 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000823877731 609370458 /nfs/dbraw/zinc/37/04/58/609370458.db2.gz DPSPSCNDTYXTQP-UHFFFAOYSA-N 1 2 322.210 2.637 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000823877731 609370461 /nfs/dbraw/zinc/37/04/61/609370461.db2.gz DPSPSCNDTYXTQP-UHFFFAOYSA-N 1 2 322.210 2.637 20 30 DFEDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000321563634 231203576 /nfs/dbraw/zinc/20/35/76/231203576.db2.gz YFDXTTLSIHOKLT-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000321563634 231203580 /nfs/dbraw/zinc/20/35/80/231203580.db2.gz YFDXTTLSIHOKLT-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cc(C#N)cnn1 ZINC000596175596 398348270 /nfs/dbraw/zinc/34/82/70/398348270.db2.gz VAFRMYKRLXYLHW-HNNXBMFYSA-N 1 2 318.384 2.675 20 30 DFEDLO O=C(C#Cc1ccccc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000081552654 398358051 /nfs/dbraw/zinc/35/80/51/398358051.db2.gz VAHRPLNWUMCEGK-UHFFFAOYSA-N 1 2 319.408 2.740 20 30 DFEDLO COc1ccc2ncc(C#N)c(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000591922005 398355079 /nfs/dbraw/zinc/35/50/79/398355079.db2.gz FCMBBXDHKABVLW-UHFFFAOYSA-N 1 2 321.384 2.838 20 30 DFEDLO CCc1nc(C#N)cc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000596203642 398355785 /nfs/dbraw/zinc/35/57/85/398355785.db2.gz PXKAJDHILXQWPP-OAHLLOKOSA-N 1 2 322.416 2.854 20 30 DFEDLO CC(C)(C)c1cc(N2CC[C@](O)(CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC000591974855 398366413 /nfs/dbraw/zinc/36/64/13/398366413.db2.gz LYPNZOZTRKQEDQ-GOSISDBHSA-N 1 2 316.449 2.926 20 30 DFEDLO CCn1cc[nH+]c1CNc1ncc(Br)cc1C#N ZINC000295012787 529581400 /nfs/dbraw/zinc/58/14/00/529581400.db2.gz PNSPYTRTVRZHDT-UHFFFAOYSA-N 1 2 306.167 2.544 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OC2CCCC2)c1 ZINC000578631880 398374688 /nfs/dbraw/zinc/37/46/88/398374688.db2.gz DIWMFXBXVSUBSG-SFHVURJKSA-N 1 2 315.417 2.582 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075657 398377847 /nfs/dbraw/zinc/37/78/47/398377847.db2.gz XMRKIMBAKTUNNO-SJORKVTESA-N 1 2 324.428 2.877 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075657 398377850 /nfs/dbraw/zinc/37/78/50/398377850.db2.gz XMRKIMBAKTUNNO-SJORKVTESA-N 1 2 324.428 2.877 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000592063308 398378358 /nfs/dbraw/zinc/37/83/58/398378358.db2.gz SAAUFRSFMHMDSY-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361384 185314165 /nfs/dbraw/zinc/31/41/65/185314165.db2.gz ZCKRHNHPQWCBQG-KSVUCXBSSA-N 1 2 305.443 2.765 20 30 DFEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361384 185314166 /nfs/dbraw/zinc/31/41/66/185314166.db2.gz ZCKRHNHPQWCBQG-KSVUCXBSSA-N 1 2 305.443 2.765 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134864 398388907 /nfs/dbraw/zinc/38/89/07/398388907.db2.gz OSPVXZQXSUYLPD-CJNGLKHVSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134864 398388910 /nfs/dbraw/zinc/38/89/10/398388910.db2.gz OSPVXZQXSUYLPD-CJNGLKHVSA-N 1 2 315.417 2.753 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000592146241 398391031 /nfs/dbraw/zinc/39/10/31/398391031.db2.gz AMWVXBYCCGFXST-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000592146241 398391032 /nfs/dbraw/zinc/39/10/32/398391032.db2.gz AMWVXBYCCGFXST-AWEZNQCLSA-N 1 2 316.735 2.792 20 30 DFEDLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151137 398392349 /nfs/dbraw/zinc/39/23/49/398392349.db2.gz MOUWEJLUVPQYBT-RISCZKNCSA-N 1 2 309.207 2.861 20 30 DFEDLO C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151137 398392354 /nfs/dbraw/zinc/39/23/54/398392354.db2.gz MOUWEJLUVPQYBT-RISCZKNCSA-N 1 2 309.207 2.861 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000584730817 398404933 /nfs/dbraw/zinc/40/49/33/398404933.db2.gz QQLIHJFEYKVDPI-HUUCEWRRSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000584730817 398404937 /nfs/dbraw/zinc/40/49/37/398404937.db2.gz QQLIHJFEYKVDPI-HUUCEWRRSA-N 1 2 304.438 2.842 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000021739869 398414302 /nfs/dbraw/zinc/41/43/02/398414302.db2.gz JFYFJGIOGMCXGO-KRWDZBQOSA-N 1 2 316.364 2.811 20 30 DFEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000022944412 398421444 /nfs/dbraw/zinc/42/14/44/398421444.db2.gz VZXBNTSNWCHACX-UHFFFAOYSA-N 1 2 316.408 2.748 20 30 DFEDLO COc1ncncc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000592500684 398435382 /nfs/dbraw/zinc/43/53/82/398435382.db2.gz LMFDXULZBFKKBC-UHFFFAOYSA-N 1 2 306.369 2.646 20 30 DFEDLO COc1ncncc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000592500684 398435384 /nfs/dbraw/zinc/43/53/84/398435384.db2.gz LMFDXULZBFKKBC-UHFFFAOYSA-N 1 2 306.369 2.646 20 30 DFEDLO CCOc1c(Cl)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592524275 398441949 /nfs/dbraw/zinc/44/19/49/398441949.db2.gz WXOJOCIZIUMHIR-INIZCTEOSA-N 1 2 324.808 2.598 20 30 DFEDLO CCOc1c(Cl)cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592524275 398441951 /nfs/dbraw/zinc/44/19/51/398441951.db2.gz WXOJOCIZIUMHIR-INIZCTEOSA-N 1 2 324.808 2.598 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000592532076 398443434 /nfs/dbraw/zinc/44/34/34/398443434.db2.gz MHZJQRSGXWTQHP-AWEZNQCLSA-N 1 2 310.401 2.739 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000592532076 398443440 /nfs/dbraw/zinc/44/34/40/398443440.db2.gz MHZJQRSGXWTQHP-AWEZNQCLSA-N 1 2 310.401 2.739 20 30 DFEDLO N#Cc1ncccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000277980443 213893814 /nfs/dbraw/zinc/89/38/14/213893814.db2.gz YGXVPGONUNWMKV-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000586777782 398458041 /nfs/dbraw/zinc/45/80/41/398458041.db2.gz YHBSBDKHPQFVFJ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000586777782 398458044 /nfs/dbraw/zinc/45/80/44/398458044.db2.gz YHBSBDKHPQFVFJ-SMDDNHRTSA-N 1 2 314.307 2.589 20 30 DFEDLO N#CC1(CC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000596630422 398464753 /nfs/dbraw/zinc/46/47/53/398464753.db2.gz PQZWFMXEFPKRTF-UHFFFAOYSA-N 1 2 312.417 2.594 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596633098 398466569 /nfs/dbraw/zinc/46/65/69/398466569.db2.gz WMHLINXPCZDLHS-MRXNPFEDSA-N 1 2 309.373 2.500 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596633098 398466573 /nfs/dbraw/zinc/46/65/73/398466573.db2.gz WMHLINXPCZDLHS-MRXNPFEDSA-N 1 2 309.373 2.500 20 30 DFEDLO CC(C)[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067900252 398465542 /nfs/dbraw/zinc/46/55/42/398465542.db2.gz FUILNDGKZIAWJN-INIZCTEOSA-N 1 2 313.445 2.885 20 30 DFEDLO N#Cc1ccc(CCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000596672470 398476691 /nfs/dbraw/zinc/47/66/91/398476691.db2.gz JRVFAAWMMOPCFA-INIZCTEOSA-N 1 2 323.400 2.761 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000596722224 398485854 /nfs/dbraw/zinc/48/58/54/398485854.db2.gz QQLGURHICZXRHK-ZDUSSCGKSA-N 1 2 308.451 2.608 20 30 DFEDLO C=CCCSCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000596722630 398485865 /nfs/dbraw/zinc/48/58/65/398485865.db2.gz YEXLKQYUPGDYOK-UHFFFAOYSA-N 1 2 308.451 2.539 20 30 DFEDLO Cc1cccc([C@H](CNc2ncccc2C#N)[NH+]2CCOCC2)c1 ZINC000029626674 398489619 /nfs/dbraw/zinc/48/96/19/398489619.db2.gz VUKBSLGXBBMMPV-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO COCc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)no1 ZINC000297343059 398491146 /nfs/dbraw/zinc/49/11/46/398491146.db2.gz DPOUSNJUQKKDTK-UHFFFAOYSA-N 1 2 324.302 2.981 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000596770353 398497944 /nfs/dbraw/zinc/49/79/44/398497944.db2.gz IRAAOBBFRHALBY-CABCVRRESA-N 1 2 315.421 2.655 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000305774255 398506594 /nfs/dbraw/zinc/50/65/94/398506594.db2.gz YWWMZNJOIDDLOM-HNAYVOBHSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000305774255 398506597 /nfs/dbraw/zinc/50/65/97/398506597.db2.gz YWWMZNJOIDDLOM-HNAYVOBHSA-N 1 2 324.428 2.645 20 30 DFEDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000305869524 398507464 /nfs/dbraw/zinc/50/74/64/398507464.db2.gz ZXVGGXVEFQZOJG-GFCCVEGCSA-N 1 2 314.364 2.694 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCCCO)C2CC2)c1C#N ZINC000091070281 398508075 /nfs/dbraw/zinc/50/80/75/398508075.db2.gz BEHURFKAMQRTMR-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCCCO)C2CC2)c1C#N ZINC000091070281 398508079 /nfs/dbraw/zinc/50/80/79/398508079.db2.gz BEHURFKAMQRTMR-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO N#CC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000596866883 398517996 /nfs/dbraw/zinc/51/79/96/398517996.db2.gz RAXJCNXMHDBGNB-CQSZACIVSA-N 1 2 315.421 2.773 20 30 DFEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593018759 398521231 /nfs/dbraw/zinc/52/12/31/398521231.db2.gz FDTBONIHWQGSHE-SECBINFHSA-N 1 2 300.318 2.922 20 30 DFEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000593017307 398521475 /nfs/dbraw/zinc/52/14/75/398521475.db2.gz BOQVYHQUGJAPQM-SFHVURJKSA-N 1 2 316.449 2.535 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)c2ccc(C)cc2)n1 ZINC000279661212 215040102 /nfs/dbraw/zinc/04/01/02/215040102.db2.gz CVHIUKKZBCSGSL-UHFFFAOYSA-N 1 2 309.413 2.920 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)c2ccc(C)cc2)n1 ZINC000279661212 215040107 /nfs/dbraw/zinc/04/01/07/215040107.db2.gz CVHIUKKZBCSGSL-UHFFFAOYSA-N 1 2 309.413 2.920 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000596920672 398529627 /nfs/dbraw/zinc/52/96/27/398529627.db2.gz OSBYMBCXQJHAFB-CYBMUJFWSA-N 1 2 324.384 2.732 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000596920672 398529632 /nfs/dbraw/zinc/52/96/32/398529632.db2.gz OSBYMBCXQJHAFB-CYBMUJFWSA-N 1 2 324.384 2.732 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596931321 398532080 /nfs/dbraw/zinc/53/20/80/398532080.db2.gz KLYQBTSHUIODLA-CQSZACIVSA-N 1 2 323.400 2.751 20 30 DFEDLO Cc1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000589252429 398541045 /nfs/dbraw/zinc/54/10/45/398541045.db2.gz NOHWGBDJIZQEEK-UHFFFAOYSA-N 1 2 314.364 2.624 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596986947 398541679 /nfs/dbraw/zinc/54/16/79/398541679.db2.gz ZLWOOJURFPHJCY-MRXNPFEDSA-N 1 2 322.412 2.823 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596986947 398541683 /nfs/dbraw/zinc/54/16/83/398541683.db2.gz ZLWOOJURFPHJCY-MRXNPFEDSA-N 1 2 322.412 2.823 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2nc(C#N)cs2)cc1OC ZINC000589494409 398556349 /nfs/dbraw/zinc/55/63/49/398556349.db2.gz GNDZXRJJIKPDRC-UHFFFAOYSA-N 1 2 303.387 2.664 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)cc1OC ZINC000589494409 398556353 /nfs/dbraw/zinc/55/63/53/398556353.db2.gz GNDZXRJJIKPDRC-UHFFFAOYSA-N 1 2 303.387 2.664 20 30 DFEDLO CC(C)C[C@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597074816 398561116 /nfs/dbraw/zinc/56/11/16/398561116.db2.gz FMZWMOQCDKXSKO-HZPDHXFCSA-N 1 2 310.401 2.986 20 30 DFEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC#N)C2)o1 ZINC000589708180 398572329 /nfs/dbraw/zinc/57/23/29/398572329.db2.gz PWFNXGJLZVFBOK-CQSZACIVSA-N 1 2 318.421 2.525 20 30 DFEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC#N)C2)o1 ZINC000589708180 398572333 /nfs/dbraw/zinc/57/23/33/398572333.db2.gz PWFNXGJLZVFBOK-CQSZACIVSA-N 1 2 318.421 2.525 20 30 DFEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597155782 398577956 /nfs/dbraw/zinc/57/79/56/398577956.db2.gz XRHUWCDZFQIZGY-SJORKVTESA-N 1 2 322.412 2.927 20 30 DFEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597155782 398577958 /nfs/dbraw/zinc/57/79/58/398577958.db2.gz XRHUWCDZFQIZGY-SJORKVTESA-N 1 2 322.412 2.927 20 30 DFEDLO CCc1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000597184395 398584332 /nfs/dbraw/zinc/58/43/32/398584332.db2.gz UXJDOONGQPXXIU-UHFFFAOYSA-N 1 2 318.471 2.961 20 30 DFEDLO N#CCC1C[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000597193077 398586908 /nfs/dbraw/zinc/58/69/08/398586908.db2.gz CWSZUQYOMPVSHV-UHFFFAOYSA-N 1 2 313.382 2.884 20 30 DFEDLO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597196193 398587862 /nfs/dbraw/zinc/58/78/62/398587862.db2.gz DHFACYRWBZPGAX-DZGCQCFKSA-N 1 2 303.454 2.781 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000590126304 398597887 /nfs/dbraw/zinc/59/78/87/398597887.db2.gz NPEBVRMNMFNBQC-QPJJXVBHSA-N 1 2 309.413 2.538 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)CC2(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000590219703 398605732 /nfs/dbraw/zinc/60/57/32/398605732.db2.gz JOFHZKVDJYHIDO-AWEZNQCLSA-N 1 2 313.401 2.712 20 30 DFEDLO COC(=O)C(C)(C)[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000092958676 398609765 /nfs/dbraw/zinc/60/97/65/398609765.db2.gz QTMQUHRCZTXJFH-AWEZNQCLSA-N 1 2 315.417 2.986 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000351028095 398613346 /nfs/dbraw/zinc/61/33/46/398613346.db2.gz UHNMYQCNPODHIJ-QLFBSQMISA-N 1 2 321.421 2.519 20 30 DFEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)OCC ZINC000351028095 398613347 /nfs/dbraw/zinc/61/33/47/398613347.db2.gz UHNMYQCNPODHIJ-QLFBSQMISA-N 1 2 321.421 2.519 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000139713116 186023779 /nfs/dbraw/zinc/02/37/79/186023779.db2.gz RGASMWJLQHKGCM-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000139713116 186023781 /nfs/dbraw/zinc/02/37/81/186023781.db2.gz RGASMWJLQHKGCM-AWEZNQCLSA-N 1 2 313.401 2.530 20 30 DFEDLO CC[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000593392413 398617031 /nfs/dbraw/zinc/61/70/31/398617031.db2.gz INJSKNUSALUJAZ-FZMZJTMJSA-N 1 2 316.792 2.829 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000593392414 398617208 /nfs/dbraw/zinc/61/72/08/398617208.db2.gz INJSKNUSALUJAZ-RISCZKNCSA-N 1 2 316.792 2.829 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000593416932 398622486 /nfs/dbraw/zinc/62/24/86/398622486.db2.gz FISNWLVQRVEBLV-RYUDHWBXSA-N 1 2 306.435 2.863 20 30 DFEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000593416932 398622490 /nfs/dbraw/zinc/62/24/90/398622490.db2.gz FISNWLVQRVEBLV-RYUDHWBXSA-N 1 2 306.435 2.863 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000072689866 398630720 /nfs/dbraw/zinc/63/07/20/398630720.db2.gz HSMHINVPHDOAOG-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000072689866 398630721 /nfs/dbraw/zinc/63/07/21/398630721.db2.gz HSMHINVPHDOAOG-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593450480 398633287 /nfs/dbraw/zinc/63/32/87/398633287.db2.gz LSVVWYZKFYHFHI-UHFFFAOYSA-N 1 2 316.449 2.940 20 30 DFEDLO N#Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000590567857 398631719 /nfs/dbraw/zinc/63/17/19/398631719.db2.gz VECOCQYAKZUSOX-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO N#CC1(CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000597420338 398638021 /nfs/dbraw/zinc/63/80/21/398638021.db2.gz NMKJLGCLNPZHAR-AWEZNQCLSA-N 1 2 300.406 2.741 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000072861355 398643041 /nfs/dbraw/zinc/64/30/41/398643041.db2.gz XSDOKYXKGVRKQH-WCQYABFASA-N 1 2 321.446 2.923 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000072861355 398643043 /nfs/dbraw/zinc/64/30/43/398643043.db2.gz XSDOKYXKGVRKQH-WCQYABFASA-N 1 2 321.446 2.923 20 30 DFEDLO COCCOc1ccc(C#N)cc1NCc1[nH+]ccn1C(C)C ZINC000181911745 186217799 /nfs/dbraw/zinc/21/77/99/186217799.db2.gz MTQJITHWEAOOTA-UHFFFAOYSA-N 1 2 314.389 2.973 20 30 DFEDLO N#CCCC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000044591298 398648694 /nfs/dbraw/zinc/64/86/94/398648694.db2.gz GSVWGLHOJSBREW-UHFFFAOYSA-N 1 2 307.397 2.901 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000593545460 398654850 /nfs/dbraw/zinc/65/48/50/398654850.db2.gz SVSFYZIOWWVVSF-NVXWUHKLSA-N 1 2 310.401 2.907 20 30 DFEDLO CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)C(C)(C)O1 ZINC000299250380 186725852 /nfs/dbraw/zinc/72/58/52/186725852.db2.gz JSTOIQUBFIITKU-OAHLLOKOSA-N 1 2 315.417 2.823 20 30 DFEDLO CC[N@H+](CCCNC(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000045127151 398663175 /nfs/dbraw/zinc/66/31/75/398663175.db2.gz MJHIGFXDICZORF-OAHLLOKOSA-N 1 2 302.422 2.704 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000045127151 398663180 /nfs/dbraw/zinc/66/31/80/398663180.db2.gz MJHIGFXDICZORF-OAHLLOKOSA-N 1 2 302.422 2.704 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000593656260 398666777 /nfs/dbraw/zinc/66/67/77/398666777.db2.gz JUXJOGFUOKTXQI-IUODEOHRSA-N 1 2 300.406 2.512 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)nc1 ZINC000590754263 398667240 /nfs/dbraw/zinc/66/72/40/398667240.db2.gz KAZKTEMCMNONIS-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)nc1 ZINC000590754263 398667242 /nfs/dbraw/zinc/66/72/42/398667242.db2.gz KAZKTEMCMNONIS-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000593698352 398674292 /nfs/dbraw/zinc/67/42/92/398674292.db2.gz RZWKECGCTZPLKP-UHFFFAOYSA-N 1 2 317.392 2.966 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000593698352 398674295 /nfs/dbraw/zinc/67/42/95/398674295.db2.gz RZWKECGCTZPLKP-UHFFFAOYSA-N 1 2 317.392 2.966 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000597663042 398676421 /nfs/dbraw/zinc/67/64/21/398676421.db2.gz YORVDJKKKOORHB-ZDUSSCGKSA-N 1 2 310.401 2.894 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000331894905 234247604 /nfs/dbraw/zinc/24/76/04/234247604.db2.gz HAIFMHSBQIAMEI-AWEZNQCLSA-N 1 2 322.412 2.853 20 30 DFEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000173924910 198269653 /nfs/dbraw/zinc/26/96/53/198269653.db2.gz SXZQXKVQUYQLAI-ZDUSSCGKSA-N 1 2 323.849 2.978 20 30 DFEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000173924910 198269655 /nfs/dbraw/zinc/26/96/55/198269655.db2.gz SXZQXKVQUYQLAI-ZDUSSCGKSA-N 1 2 323.849 2.978 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331979690 234346624 /nfs/dbraw/zinc/34/66/24/234346624.db2.gz SOWZPAWDLCUUDO-UHFFFAOYSA-N 1 2 309.373 2.721 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000593952958 398707038 /nfs/dbraw/zinc/70/70/38/398707038.db2.gz WAFVSTPSYNLDFA-MRXNPFEDSA-N 1 2 314.364 2.849 20 30 DFEDLO Cc1cccn2cc(CSc3nc(N)c(C#N)cc3C#N)[nH+]c12 ZINC000073998394 398715744 /nfs/dbraw/zinc/71/57/44/398715744.db2.gz UBJTWFSNTZCLDS-UHFFFAOYSA-N 1 2 320.381 2.656 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccccc1 ZINC000109812139 398719372 /nfs/dbraw/zinc/71/93/72/398719372.db2.gz OXFYKDSPTHLSKO-UHFFFAOYSA-N 1 2 316.405 2.596 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccccc1 ZINC000109812139 398719375 /nfs/dbraw/zinc/71/93/75/398719375.db2.gz OXFYKDSPTHLSKO-UHFFFAOYSA-N 1 2 316.405 2.596 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000594009472 398720353 /nfs/dbraw/zinc/72/03/53/398720353.db2.gz SIVGSVTYURSSNQ-NSHDSACASA-N 1 2 307.195 2.879 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000591071346 398721924 /nfs/dbraw/zinc/72/19/24/398721924.db2.gz CXGWHYWCAHALEY-YESZJQIVSA-N 1 2 320.396 2.552 20 30 DFEDLO Cn1nc(C2CC2)nc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035728 398727207 /nfs/dbraw/zinc/72/72/07/398727207.db2.gz QMHLMLLGAJWABJ-UHFFFAOYSA-N 1 2 307.401 2.733 20 30 DFEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)on1 ZINC000047273859 398742790 /nfs/dbraw/zinc/74/27/90/398742790.db2.gz MHRKWBIQBRLWLC-OAHLLOKOSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)on1 ZINC000047273859 398742793 /nfs/dbraw/zinc/74/27/93/398742793.db2.gz MHRKWBIQBRLWLC-OAHLLOKOSA-N 1 2 310.357 2.630 20 30 DFEDLO Cc1csc(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000594104978 398744226 /nfs/dbraw/zinc/74/42/26/398744226.db2.gz ZKSLZQDWIXYRCE-LLVKDONJSA-N 1 2 315.402 2.509 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000598078044 398749279 /nfs/dbraw/zinc/74/92/79/398749279.db2.gz UVTKXLLHTMIBEQ-IRXDYDNUSA-N 1 2 308.385 2.744 20 30 DFEDLO CO[C@H](CC(C)C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000591374254 398754467 /nfs/dbraw/zinc/75/44/67/398754467.db2.gz BYASEBZHSRVGAG-RBUKOAKNSA-N 1 2 315.461 2.757 20 30 DFEDLO CO[C@H](CC(C)C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000591374254 398754471 /nfs/dbraw/zinc/75/44/71/398754471.db2.gz BYASEBZHSRVGAG-RBUKOAKNSA-N 1 2 315.461 2.757 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000047624090 398754951 /nfs/dbraw/zinc/75/49/51/398754951.db2.gz GUPCRMDDJREQPT-MRXNPFEDSA-N 1 2 305.381 2.918 20 30 DFEDLO C=CCN(CC=C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115843635 398756111 /nfs/dbraw/zinc/75/61/11/398756111.db2.gz PAMAJNUGJRATBH-OAHLLOKOSA-N 1 2 323.387 2.951 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC000594294821 398780512 /nfs/dbraw/zinc/78/05/12/398780512.db2.gz ZVYXRWJPPDOMJK-ZDUSSCGKSA-N 1 2 322.412 2.593 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594297676 398780515 /nfs/dbraw/zinc/78/05/15/398780515.db2.gz AGHPHWVRNYQNFH-OAHLLOKOSA-N 1 2 324.428 2.906 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594333842 398783775 /nfs/dbraw/zinc/78/37/75/398783775.db2.gz VPAKHERSRNSKDR-NVXWUHKLSA-N 1 2 321.371 2.910 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594333842 398783777 /nfs/dbraw/zinc/78/37/77/398783777.db2.gz VPAKHERSRNSKDR-NVXWUHKLSA-N 1 2 321.371 2.910 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000594325829 398783259 /nfs/dbraw/zinc/78/32/59/398783259.db2.gz MRGLLAPPSWXBJI-YOEHRIQHSA-N 1 2 322.412 2.627 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000372062006 283191765 /nfs/dbraw/zinc/19/17/65/283191765.db2.gz CLSKWUNAOUJOCJ-AWEZNQCLSA-N 1 2 323.356 2.942 20 30 DFEDLO N#CCCCCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000594343423 398785205 /nfs/dbraw/zinc/78/52/05/398785205.db2.gz RAUZWCIFNLLWHX-UHFFFAOYSA-N 1 2 319.836 2.898 20 30 DFEDLO N#CCCCCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000594343423 398785207 /nfs/dbraw/zinc/78/52/07/398785207.db2.gz RAUZWCIFNLLWHX-UHFFFAOYSA-N 1 2 319.836 2.898 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CCCCC#N)ccc2n1[C@H](C)CO ZINC000594369662 398788465 /nfs/dbraw/zinc/78/84/65/398788465.db2.gz UQKDVJMDTIVAOL-GFCCVEGCSA-N 1 2 314.389 2.921 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000135006489 283205842 /nfs/dbraw/zinc/20/58/42/283205842.db2.gz FCJKFCWHQXVCOB-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000135006489 283205844 /nfs/dbraw/zinc/20/58/44/283205844.db2.gz FCJKFCWHQXVCOB-UHFFFAOYSA-N 1 2 304.390 2.588 20 30 DFEDLO COC(=O)C(C)(C)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000591822535 398791985 /nfs/dbraw/zinc/79/19/85/398791985.db2.gz CHQRLMSKVWJCPX-AWEZNQCLSA-N 1 2 301.390 2.677 20 30 DFEDLO CC[N@H+](CC(=O)N1CC[C@](C)(C#N)C1)Cc1ccccc1Cl ZINC000598416223 398809350 /nfs/dbraw/zinc/80/93/50/398809350.db2.gz AMMLFSMDDTYPKT-QGZVFWFLSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[N@@H+](CC(=O)N1CC[C@](C)(C#N)C1)Cc1ccccc1Cl ZINC000598416223 398809352 /nfs/dbraw/zinc/80/93/52/398809352.db2.gz AMMLFSMDDTYPKT-QGZVFWFLSA-N 1 2 319.836 2.924 20 30 DFEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000594512584 398813456 /nfs/dbraw/zinc/81/34/56/398813456.db2.gz WQQKTFJZJDIEAT-INIZCTEOSA-N 1 2 324.432 2.857 20 30 DFEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1C#N ZINC000276721849 213067504 /nfs/dbraw/zinc/06/75/04/213067504.db2.gz FMJAKMVTGZXJRT-SFHVURJKSA-N 1 2 323.444 2.846 20 30 DFEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1C#N ZINC000276721849 213067508 /nfs/dbraw/zinc/06/75/08/213067508.db2.gz FMJAKMVTGZXJRT-SFHVURJKSA-N 1 2 323.444 2.846 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000075721706 398820176 /nfs/dbraw/zinc/82/01/76/398820176.db2.gz LYWBAZPNKAWMNZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000075721706 398820177 /nfs/dbraw/zinc/82/01/77/398820177.db2.gz LYWBAZPNKAWMNZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)cc1 ZINC000051401072 398821940 /nfs/dbraw/zinc/82/19/40/398821940.db2.gz LSQQAXWKBCMCLK-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)cc1 ZINC000051401072 398821942 /nfs/dbraw/zinc/82/19/42/398821942.db2.gz LSQQAXWKBCMCLK-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179824817 199085385 /nfs/dbraw/zinc/08/53/85/199085385.db2.gz PFFHOFDVUFSQNQ-HNNXBMFYSA-N 1 2 320.437 2.658 20 30 DFEDLO C=C(C)CN(CC)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000076085927 398838316 /nfs/dbraw/zinc/83/83/16/398838316.db2.gz HYCOSFPEGMHBAS-UHFFFAOYSA-N 1 2 322.478 2.715 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000598601662 398839220 /nfs/dbraw/zinc/83/92/20/398839220.db2.gz LTMZBLIKNFNJGO-MRXNPFEDSA-N 1 2 324.428 2.531 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000598601662 398839222 /nfs/dbraw/zinc/83/92/22/398839222.db2.gz LTMZBLIKNFNJGO-MRXNPFEDSA-N 1 2 324.428 2.531 20 30 DFEDLO Cc1nnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1C ZINC000052384208 398839243 /nfs/dbraw/zinc/83/92/43/398839243.db2.gz YYMGZLGCMBYXOM-UHFFFAOYSA-N 1 2 318.384 2.822 20 30 DFEDLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000598601856 398840046 /nfs/dbraw/zinc/84/00/46/398840046.db2.gz OZTYUBLWXBZREO-IHRRRGAJSA-N 1 2 312.454 2.633 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)c(Br)cn1 ZINC000598615795 398841173 /nfs/dbraw/zinc/84/11/73/398841173.db2.gz FWOUZSBIFWLXIZ-CABZTGNLSA-N 1 2 310.195 2.635 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598623945 398842809 /nfs/dbraw/zinc/84/28/09/398842809.db2.gz CDXQQDWUOPADLK-COXVUDFISA-N 1 2 320.408 2.888 20 30 DFEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598623945 398842811 /nfs/dbraw/zinc/84/28/11/398842811.db2.gz CDXQQDWUOPADLK-COXVUDFISA-N 1 2 320.408 2.888 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000076152914 398843662 /nfs/dbraw/zinc/84/36/62/398843662.db2.gz BJRHLZPSGAAQTN-MSOLQXFVSA-N 1 2 311.429 2.771 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000076152914 398843663 /nfs/dbraw/zinc/84/36/63/398843663.db2.gz BJRHLZPSGAAQTN-MSOLQXFVSA-N 1 2 311.429 2.771 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000076152917 398843702 /nfs/dbraw/zinc/84/37/02/398843702.db2.gz BJRHLZPSGAAQTN-QZTJIDSGSA-N 1 2 311.429 2.771 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000076152917 398843705 /nfs/dbraw/zinc/84/37/05/398843705.db2.gz BJRHLZPSGAAQTN-QZTJIDSGSA-N 1 2 311.429 2.771 20 30 DFEDLO COC(=O)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000052830649 398852917 /nfs/dbraw/zinc/85/29/17/398852917.db2.gz KZSWZLHCTOZPIK-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO COC(=O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000052830649 398852921 /nfs/dbraw/zinc/85/29/21/398852921.db2.gz KZSWZLHCTOZPIK-UHFFFAOYSA-N 1 2 324.380 2.612 20 30 DFEDLO C[C@@H](CC#N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000594733765 398851040 /nfs/dbraw/zinc/85/10/40/398851040.db2.gz DYVWQNRPWWCSSD-ZFWWWQNUSA-N 1 2 312.373 2.660 20 30 DFEDLO C[C@@H](CC#N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000594733765 398851044 /nfs/dbraw/zinc/85/10/44/398851044.db2.gz DYVWQNRPWWCSSD-ZFWWWQNUSA-N 1 2 312.373 2.660 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000598728891 398863463 /nfs/dbraw/zinc/86/34/63/398863463.db2.gz FTZVNBHJDPOFRR-CYBMUJFWSA-N 1 2 300.324 2.808 20 30 DFEDLO N#Cc1ccccc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076709238 398866299 /nfs/dbraw/zinc/86/62/99/398866299.db2.gz CPVJDTCVTCHXLN-HNNXBMFYSA-N 1 2 306.369 2.808 20 30 DFEDLO N#Cc1cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC000076824990 398871467 /nfs/dbraw/zinc/87/14/67/398871467.db2.gz KFURNJQDPLTWDH-CYBMUJFWSA-N 1 2 324.359 2.947 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(OC)cc1 ZINC000054271975 398894176 /nfs/dbraw/zinc/89/41/76/398894176.db2.gz ZTQDYKVNGAFWBF-UHFFFAOYSA-N 1 2 314.385 2.593 20 30 DFEDLO C=CC[N@H+](CC(=O)NCc1ccco1)Cc1ccc(OC)cc1 ZINC000054271975 398894172 /nfs/dbraw/zinc/89/41/72/398894172.db2.gz ZTQDYKVNGAFWBF-UHFFFAOYSA-N 1 2 314.385 2.593 20 30 DFEDLO CN(C)c1[nH+]cccc1CNc1c(C#N)nnc2ccccc21 ZINC000077488741 398906646 /nfs/dbraw/zinc/90/66/46/398906646.db2.gz MJAPSCMTHBPSAU-UHFFFAOYSA-N 1 2 304.357 2.575 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077978482 398932575 /nfs/dbraw/zinc/93/25/75/398932575.db2.gz YHTXIDGHCTXFEY-GOSISDBHSA-N 1 2 305.381 2.666 20 30 DFEDLO C#Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077978482 398932580 /nfs/dbraw/zinc/93/25/80/398932580.db2.gz YHTXIDGHCTXFEY-GOSISDBHSA-N 1 2 305.381 2.666 20 30 DFEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595435268 398937762 /nfs/dbraw/zinc/93/77/62/398937762.db2.gz DJGBAYZRSXJUOG-QGZVFWFLSA-N 1 2 300.402 2.812 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000292427834 223072352 /nfs/dbraw/zinc/07/23/52/223072352.db2.gz VVKCQJNMQQUAOG-INIZCTEOSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1ccoc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000292427834 223072356 /nfs/dbraw/zinc/07/23/56/223072356.db2.gz VVKCQJNMQQUAOG-INIZCTEOSA-N 1 2 309.369 2.697 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C#N)c1ccccc1 ZINC000595478453 398946934 /nfs/dbraw/zinc/94/69/34/398946934.db2.gz CYWYLVUPCZMCPT-BDXSIMOUSA-N 1 2 300.402 2.503 20 30 DFEDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C#N)c1ccccc1 ZINC000595478453 398946937 /nfs/dbraw/zinc/94/69/37/398946937.db2.gz CYWYLVUPCZMCPT-BDXSIMOUSA-N 1 2 300.402 2.503 20 30 DFEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000595489942 398949170 /nfs/dbraw/zinc/94/91/70/398949170.db2.gz KMBZVANUNHPZHC-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO N#Cc1ccc(Br)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000595492598 398949730 /nfs/dbraw/zinc/94/97/30/398949730.db2.gz XJRPYONTPNKKKI-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595499265 398950440 /nfs/dbraw/zinc/95/04/40/398950440.db2.gz WDXSNRUZXQJLJM-DLBZAZTESA-N 1 2 322.412 2.866 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599306672 398951614 /nfs/dbraw/zinc/95/16/14/398951614.db2.gz AJZKJLMBUGMYPC-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599306672 398951615 /nfs/dbraw/zinc/95/16/15/398951615.db2.gz AJZKJLMBUGMYPC-GFCCVEGCSA-N 1 2 300.362 2.589 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C#N)cc3)cn2c1 ZINC000056353415 398965398 /nfs/dbraw/zinc/96/53/98/398965398.db2.gz AVPLVFSCOJCPSC-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599374201 398967075 /nfs/dbraw/zinc/96/70/75/398967075.db2.gz BHPFCRWKQSBVQA-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599374201 398967079 /nfs/dbraw/zinc/96/70/79/398967079.db2.gz BHPFCRWKQSBVQA-JKSUJKDBSA-N 1 2 312.373 2.520 20 30 DFEDLO CC(C)(C)c1ccc(C#N)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000613409194 398975090 /nfs/dbraw/zinc/97/50/90/398975090.db2.gz ODFMLHBDZYPQGG-UHFFFAOYSA-N 1 2 321.428 2.972 20 30 DFEDLO CC(C)[N@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000281466293 216321556 /nfs/dbraw/zinc/32/15/56/216321556.db2.gz NLKUEGVTDJVYOA-UHFFFAOYSA-N 1 2 301.369 2.530 20 30 DFEDLO CC(C)[N@@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000281466293 216321561 /nfs/dbraw/zinc/32/15/61/216321561.db2.gz NLKUEGVTDJVYOA-UHFFFAOYSA-N 1 2 301.369 2.530 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)nc1 ZINC000194325231 201203072 /nfs/dbraw/zinc/20/30/72/201203072.db2.gz GMUFSOTXIUAWNN-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000056664829 398985303 /nfs/dbraw/zinc/98/53/03/398985303.db2.gz IUHRVUOORULLLV-ZDUSSCGKSA-N 1 2 300.362 2.658 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000056664830 398985648 /nfs/dbraw/zinc/98/56/48/398985648.db2.gz IUHRVUOORULLLV-CYBMUJFWSA-N 1 2 300.362 2.658 20 30 DFEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000281564680 216387326 /nfs/dbraw/zinc/38/73/26/216387326.db2.gz CFWPTFLUXSQESS-MFKMUULPSA-N 1 2 321.446 2.674 20 30 DFEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 ZINC000281564680 216387329 /nfs/dbraw/zinc/38/73/29/216387329.db2.gz CFWPTFLUXSQESS-MFKMUULPSA-N 1 2 321.446 2.674 20 30 DFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609401 398997689 /nfs/dbraw/zinc/99/76/89/398997689.db2.gz JKFKEAFDVDGMLG-KGLIPLIRSA-N 1 2 301.390 2.648 20 30 DFEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609401 398997694 /nfs/dbraw/zinc/99/76/94/398997694.db2.gz JKFKEAFDVDGMLG-KGLIPLIRSA-N 1 2 301.390 2.648 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H](C)C1(F)F ZINC000599513754 398999908 /nfs/dbraw/zinc/99/99/08/398999908.db2.gz UBEZWXMDCYRQBW-AOOOYVTPSA-N 1 2 313.373 2.781 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H](C)C1(F)F ZINC000599513754 398999915 /nfs/dbraw/zinc/99/99/15/398999915.db2.gz UBEZWXMDCYRQBW-AOOOYVTPSA-N 1 2 313.373 2.781 20 30 DFEDLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613872 399000604 /nfs/dbraw/zinc/00/06/04/399000604.db2.gz FMGUDRVUQKNBJH-CYBMUJFWSA-N 1 2 303.431 2.973 20 30 DFEDLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613872 399000606 /nfs/dbraw/zinc/00/06/06/399000606.db2.gz FMGUDRVUQKNBJH-CYBMUJFWSA-N 1 2 303.431 2.973 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615044 399000670 /nfs/dbraw/zinc/00/06/70/399000670.db2.gz OLBCVKJTSZJEFJ-CZUORRHYSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000595615044 399000672 /nfs/dbraw/zinc/00/06/72/399000672.db2.gz OLBCVKJTSZJEFJ-CZUORRHYSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595616136 399003013 /nfs/dbraw/zinc/00/30/13/399003013.db2.gz QDFSJMRWTQPQJN-GFCCVEGCSA-N 1 2 316.792 2.776 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000595616136 399003016 /nfs/dbraw/zinc/00/30/16/399003016.db2.gz QDFSJMRWTQPQJN-GFCCVEGCSA-N 1 2 316.792 2.776 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595615697 399002766 /nfs/dbraw/zinc/00/27/66/399002766.db2.gz MYDCZUQASIZNTN-LLVKDONJSA-N 1 2 300.318 2.862 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595615697 399002772 /nfs/dbraw/zinc/00/27/72/399002772.db2.gz MYDCZUQASIZNTN-LLVKDONJSA-N 1 2 300.318 2.862 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595615807 399002888 /nfs/dbraw/zinc/00/28/88/399002888.db2.gz UEJLUXORYRMGBY-AWEZNQCLSA-N 1 2 307.357 2.734 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595615807 399002892 /nfs/dbraw/zinc/00/28/92/399002892.db2.gz UEJLUXORYRMGBY-AWEZNQCLSA-N 1 2 307.357 2.734 20 30 DFEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(C(C)(C)C)n1 ZINC000595615449 399003376 /nfs/dbraw/zinc/00/33/76/399003376.db2.gz QZVWARXNMXBCTM-CQSZACIVSA-N 1 2 317.437 2.511 20 30 DFEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(C(C)(C)C)n1 ZINC000595615449 399003379 /nfs/dbraw/zinc/00/33/79/399003379.db2.gz QZVWARXNMXBCTM-CQSZACIVSA-N 1 2 317.437 2.511 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000595619432 399004559 /nfs/dbraw/zinc/00/45/59/399004559.db2.gz AZXSPFRENGPJOX-GFCCVEGCSA-N 1 2 318.446 2.586 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000595619432 399004564 /nfs/dbraw/zinc/00/45/64/399004564.db2.gz AZXSPFRENGPJOX-GFCCVEGCSA-N 1 2 318.446 2.586 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595629632 399010602 /nfs/dbraw/zinc/01/06/02/399010602.db2.gz HKMTYQYZALVVAY-UHFFFAOYSA-N 1 2 308.410 2.814 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674739 399029463 /nfs/dbraw/zinc/02/94/63/399029463.db2.gz KSICQIQDYSJOIX-KRWDZBQOSA-N 1 2 315.417 2.959 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674739 399029469 /nfs/dbraw/zinc/02/94/69/399029469.db2.gz KSICQIQDYSJOIX-KRWDZBQOSA-N 1 2 315.417 2.959 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595690200 399036842 /nfs/dbraw/zinc/03/68/42/399036842.db2.gz AFTGSONMQLLEKP-DGCLKSJQSA-N 1 2 321.808 2.959 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893738 193123198 /nfs/dbraw/zinc/12/31/98/193123198.db2.gz KQPLMCLTYUUWSC-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893738 193123200 /nfs/dbraw/zinc/12/32/00/193123200.db2.gz KQPLMCLTYUUWSC-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1c(F)cccc1F ZINC000595692229 399038067 /nfs/dbraw/zinc/03/80/67/399038067.db2.gz MSGXPJGLXAADKX-COPLHBTASA-N 1 2 307.344 2.964 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000255480101 283881955 /nfs/dbraw/zinc/88/19/55/283881955.db2.gz DAOAEWOBPBSWTM-CPHMMYSSSA-N 1 2 320.396 2.878 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)on1 ZINC000595704266 399046282 /nfs/dbraw/zinc/04/62/82/399046282.db2.gz RJISXGKJYWAMOT-NWDGAFQWSA-N 1 2 304.394 2.583 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595701805 399044044 /nfs/dbraw/zinc/04/40/44/399044044.db2.gz FQQDYSQVUUTJEX-MELADBBJSA-N 1 2 301.390 2.694 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000595702495 399046055 /nfs/dbraw/zinc/04/60/55/399046055.db2.gz KLNABEDEEIIYHT-VXGBXAGGSA-N 1 2 318.446 2.632 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645783 399041517 /nfs/dbraw/zinc/04/15/17/399041517.db2.gz DZPOWZWDAYFXCN-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645783 399041520 /nfs/dbraw/zinc/04/15/20/399041520.db2.gz DZPOWZWDAYFXCN-CYBMUJFWSA-N 1 2 321.380 2.649 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595704911 399047393 /nfs/dbraw/zinc/04/73/93/399047393.db2.gz SCHOGSLXGFITDA-NVXWUHKLSA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595704911 399047397 /nfs/dbraw/zinc/04/73/97/399047397.db2.gz SCHOGSLXGFITDA-NVXWUHKLSA-N 1 2 303.381 2.627 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000599666567 399051449 /nfs/dbraw/zinc/05/14/49/399051449.db2.gz NPXODKHELSJVGQ-MRXNPFEDSA-N 1 2 312.394 2.892 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000599666567 399051453 /nfs/dbraw/zinc/05/14/53/399051453.db2.gz NPXODKHELSJVGQ-MRXNPFEDSA-N 1 2 312.394 2.892 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599687427 399064131 /nfs/dbraw/zinc/06/41/31/399064131.db2.gz RMMYGURYROQHOY-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599687427 399064138 /nfs/dbraw/zinc/06/41/38/399064138.db2.gz RMMYGURYROQHOY-UHFFFAOYSA-N 1 2 312.344 2.971 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)c1 ZINC000092143929 193167944 /nfs/dbraw/zinc/16/79/44/193167944.db2.gz IICJIIMBJGPQFK-UHFFFAOYSA-N 1 2 324.428 2.690 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(C(C)(C)C)c2)c1 ZINC000092143929 193167946 /nfs/dbraw/zinc/16/79/46/193167946.db2.gz IICJIIMBJGPQFK-UHFFFAOYSA-N 1 2 324.428 2.690 20 30 DFEDLO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@@H](C)O2)o1 ZINC000595794573 399087030 /nfs/dbraw/zinc/08/70/30/399087030.db2.gz PBOZZINDVQAWQA-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO Cc1nnc([C@H]2C[N@H+](Cc3ccc(C#N)cc3C)C[C@@H](C)O2)o1 ZINC000595794573 399087037 /nfs/dbraw/zinc/08/70/37/399087037.db2.gz PBOZZINDVQAWQA-MLGOLLRUSA-N 1 2 312.373 2.520 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826487 399100028 /nfs/dbraw/zinc/10/00/28/399100028.db2.gz CWHLEJXUTSLFTN-TZMCWYRMSA-N 1 2 321.218 2.789 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826487 399100031 /nfs/dbraw/zinc/10/00/31/399100031.db2.gz CWHLEJXUTSLFTN-TZMCWYRMSA-N 1 2 321.218 2.789 20 30 DFEDLO CC1CCC(N(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)C2CC2)CC1 ZINC000595838364 399106634 /nfs/dbraw/zinc/10/66/34/399106634.db2.gz AZBSOYCEFNWSAP-JMLCCBQJSA-N 1 2 303.450 2.792 20 30 DFEDLO CC1CCC(N(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)C2CC2)CC1 ZINC000595838364 399106640 /nfs/dbraw/zinc/10/66/40/399106640.db2.gz AZBSOYCEFNWSAP-JMLCCBQJSA-N 1 2 303.450 2.792 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838416 399107014 /nfs/dbraw/zinc/10/70/14/399107014.db2.gz BROHSOJFQFIKKL-BLLLJJGKSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838416 399107018 /nfs/dbraw/zinc/10/70/18/399107018.db2.gz BROHSOJFQFIKKL-BLLLJJGKSA-N 1 2 305.809 2.580 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842510 399109173 /nfs/dbraw/zinc/10/91/73/399109173.db2.gz FEPPWBUOIJPQNX-BBRMVZONSA-N 1 2 308.809 2.624 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842510 399109177 /nfs/dbraw/zinc/10/91/77/399109177.db2.gz FEPPWBUOIJPQNX-BBRMVZONSA-N 1 2 308.809 2.624 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@](C)(C#N)C1 ZINC000595845074 399110853 /nfs/dbraw/zinc/11/08/53/399110853.db2.gz YHUYVJFJQDDDDE-FZKQIMNGSA-N 1 2 323.400 2.639 20 30 DFEDLO C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1[nH+]ccn1C ZINC000595844149 399111292 /nfs/dbraw/zinc/11/12/92/399111292.db2.gz APCQTHMQQNAZOE-WBMJQRKESA-N 1 2 323.400 2.730 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000595859803 399114821 /nfs/dbraw/zinc/11/48/21/399114821.db2.gz CDGJONRBXPLBRK-NHYWBVRUSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000595859803 399114824 /nfs/dbraw/zinc/11/48/24/399114824.db2.gz CDGJONRBXPLBRK-NHYWBVRUSA-N 1 2 323.234 2.771 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093458050 193254667 /nfs/dbraw/zinc/25/46/67/193254667.db2.gz DZZRXPUIUBVLOX-INIZCTEOSA-N 1 2 300.383 2.899 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093458050 193254669 /nfs/dbraw/zinc/25/46/69/193254669.db2.gz DZZRXPUIUBVLOX-INIZCTEOSA-N 1 2 300.383 2.899 20 30 DFEDLO Cc1ccc([C@H]2COCCN2Cc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000093459786 193255495 /nfs/dbraw/zinc/25/54/95/193255495.db2.gz IJMSLFOZXXKGFZ-MRXNPFEDSA-N 1 2 322.368 2.681 20 30 DFEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000179902383 399132108 /nfs/dbraw/zinc/13/21/08/399132108.db2.gz MAMYABYRSGUISY-PXAZEXFGSA-N 1 2 321.396 2.539 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)F)O1 ZINC000595916828 399134879 /nfs/dbraw/zinc/13/48/79/399134879.db2.gz LTVRMKVAWNFOIE-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@](C)(C(F)F)O1 ZINC000595916828 399134883 /nfs/dbraw/zinc/13/48/83/399134883.db2.gz LTVRMKVAWNFOIE-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@](C)(C#N)C1 ZINC000614033359 399137492 /nfs/dbraw/zinc/13/74/92/399137492.db2.gz RDFXHGSHUDSIQI-GOSISDBHSA-N 1 2 310.401 2.887 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000264697224 204086304 /nfs/dbraw/zinc/08/63/04/204086304.db2.gz ACGWJRHQOMKERT-LLVKDONJSA-N 1 2 313.336 2.832 20 30 DFEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000618577379 399166629 /nfs/dbraw/zinc/16/66/29/399166629.db2.gz BJYLCROJBNLNBG-XJKSGUPXSA-N 1 2 313.380 2.637 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666596 335015926 /nfs/dbraw/zinc/01/59/26/335015926.db2.gz DNLKZJYFTBVDKA-FGTMMUONSA-N 1 2 319.832 2.553 20 30 DFEDLO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000284666596 335015928 /nfs/dbraw/zinc/01/59/28/335015928.db2.gz DNLKZJYFTBVDKA-FGTMMUONSA-N 1 2 319.832 2.553 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC2(CC2)C1 ZINC000601015580 399203285 /nfs/dbraw/zinc/20/32/85/399203285.db2.gz BLGFBLSDWJBSIT-UHFFFAOYSA-N 1 2 324.359 2.712 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000622133714 399205429 /nfs/dbraw/zinc/20/54/29/399205429.db2.gz HKRDHHNDKKHUMD-YLFCFFPRSA-N 1 2 317.433 2.539 20 30 DFEDLO N#Cc1cc(O)cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000614366208 399217854 /nfs/dbraw/zinc/21/78/54/399217854.db2.gz PJNUJBFIDCNTDZ-UHFFFAOYSA-N 1 2 304.309 2.906 20 30 DFEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285240526 335022368 /nfs/dbraw/zinc/02/23/68/335022368.db2.gz LHELMJRRFGWTPG-HNNXBMFYSA-N 1 2 320.437 2.543 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000192228730 335023920 /nfs/dbraw/zinc/02/39/20/335023920.db2.gz DEKMYULOEKRQRC-UHFFFAOYSA-N 1 2 315.598 2.606 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000192228730 335023922 /nfs/dbraw/zinc/02/39/22/335023922.db2.gz DEKMYULOEKRQRC-UHFFFAOYSA-N 1 2 315.598 2.606 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000192227014 335023888 /nfs/dbraw/zinc/02/38/88/335023888.db2.gz GCJROYLHNUGLJY-GOSISDBHSA-N 1 2 312.438 2.827 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000192227014 335023890 /nfs/dbraw/zinc/02/38/90/335023890.db2.gz GCJROYLHNUGLJY-GOSISDBHSA-N 1 2 312.438 2.827 20 30 DFEDLO C#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000192237848 335024120 /nfs/dbraw/zinc/02/41/20/335024120.db2.gz JMHWVAURHLVERI-WDEREUQCSA-N 1 2 315.442 2.735 20 30 DFEDLO C#CC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000192237848 335024121 /nfs/dbraw/zinc/02/41/21/335024121.db2.gz JMHWVAURHLVERI-WDEREUQCSA-N 1 2 315.442 2.735 20 30 DFEDLO N#Cc1cccnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241095 399262632 /nfs/dbraw/zinc/26/26/32/399262632.db2.gz XGGNCOKAMUJBIK-UHFFFAOYSA-N 1 2 311.414 2.514 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000614822588 399272415 /nfs/dbraw/zinc/27/24/15/399272415.db2.gz YJHFRMPHYAVICH-KRWDZBQOSA-N 1 2 320.396 2.650 20 30 DFEDLO CCOc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000271856844 209272148 /nfs/dbraw/zinc/27/21/48/209272148.db2.gz YNBNYACGLRABIC-UHFFFAOYSA-N 1 2 300.387 2.587 20 30 DFEDLO CN(C)c1[nH]c2ccc(NC(=O)C3(C#N)CC4(CC4)C3)cc2[nH+]1 ZINC000601536020 399297504 /nfs/dbraw/zinc/29/75/04/399297504.db2.gz LZYXDPOBULSXRY-UHFFFAOYSA-N 1 2 309.373 2.651 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(F)cc3)[nH+]c12 ZINC000608852879 399299041 /nfs/dbraw/zinc/29/90/41/399299041.db2.gz AWYUNIIXLSQKAO-INIZCTEOSA-N 1 2 322.343 2.705 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccc(F)cc3)[nH+]c12 ZINC000608852880 399299191 /nfs/dbraw/zinc/29/91/91/399299191.db2.gz AWYUNIIXLSQKAO-MRXNPFEDSA-N 1 2 322.343 2.705 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000615227692 399314472 /nfs/dbraw/zinc/31/44/72/399314472.db2.gz GFFUCJYQQAJTNG-JKSUJKDBSA-N 1 2 306.793 2.591 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000615227692 399314479 /nfs/dbraw/zinc/31/44/79/399314479.db2.gz GFFUCJYQQAJTNG-JKSUJKDBSA-N 1 2 306.793 2.591 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601669247 399317538 /nfs/dbraw/zinc/31/75/38/399317538.db2.gz SEDHRNXRLOJYKJ-RDJZCZTQSA-N 1 2 308.385 2.613 20 30 DFEDLO N#CC1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000601652539 399314864 /nfs/dbraw/zinc/31/48/64/399314864.db2.gz NJBIKFRCETWYSQ-UHFFFAOYSA-N 1 2 308.385 2.615 20 30 DFEDLO Cc1c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000609484604 399319397 /nfs/dbraw/zinc/31/93/97/399319397.db2.gz CRPQSNAVNLLZRL-KRWDZBQOSA-N 1 2 316.405 2.569 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000609484530 399319480 /nfs/dbraw/zinc/31/94/80/399319480.db2.gz CRUKVJNFSXFEFN-HNNXBMFYSA-N 1 2 314.458 2.962 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000609539090 399321857 /nfs/dbraw/zinc/32/18/57/399321857.db2.gz RTZJKPJRIFOVIY-LJQANCHMSA-N 1 2 323.444 2.538 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000609615611 399326337 /nfs/dbraw/zinc/32/63/37/399326337.db2.gz HHPMFWYPMBNGOV-GWCFXTLKSA-N 1 2 311.307 2.702 20 30 DFEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618979 399326551 /nfs/dbraw/zinc/32/65/51/399326551.db2.gz UBGGVOWVVDIHOB-GFCCVEGCSA-N 1 2 306.325 2.612 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000287093372 335040606 /nfs/dbraw/zinc/04/06/06/335040606.db2.gz WFYJOCFAUQKQHT-GDBMZVCRSA-N 1 2 305.374 2.893 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OCC)c(OCC)c1)C1CC1 ZINC000274014303 211273233 /nfs/dbraw/zinc/27/32/33/211273233.db2.gz BELNUNQDZQHHHD-UHFFFAOYSA-N 1 2 316.401 2.520 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccc(OCC)c(OCC)c1)C1CC1 ZINC000274014303 211273238 /nfs/dbraw/zinc/27/32/38/211273238.db2.gz BELNUNQDZQHHHD-UHFFFAOYSA-N 1 2 316.401 2.520 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(N(C)C)[nH+]c1 ZINC000610211354 399347280 /nfs/dbraw/zinc/34/72/80/399347280.db2.gz PXCZJWGZQRSDEW-UHFFFAOYSA-N 1 2 317.396 2.910 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000623273175 399351147 /nfs/dbraw/zinc/35/11/47/399351147.db2.gz PHGNPUBFQXYTPR-UHFFFAOYSA-N 1 2 313.401 2.887 20 30 DFEDLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000610407218 399365195 /nfs/dbraw/zinc/36/51/95/399365195.db2.gz ZCQLBSMCWDBMPX-AWEZNQCLSA-N 1 2 323.400 2.862 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000105813782 194134582 /nfs/dbraw/zinc/13/45/82/194134582.db2.gz KBDAXYGALRJFEH-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1ncc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000105813782 194134583 /nfs/dbraw/zinc/13/45/83/194134583.db2.gz KBDAXYGALRJFEH-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO CCS[C@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610489346 399372427 /nfs/dbraw/zinc/37/24/27/399372427.db2.gz JGPLFJICLKDOPY-STQMWFEESA-N 1 2 316.434 2.826 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000610542929 399379791 /nfs/dbraw/zinc/37/97/91/399379791.db2.gz KVMJUAMHDZVKRJ-GOSISDBHSA-N 1 2 315.848 2.857 20 30 DFEDLO N#Cc1cccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000106528897 194225346 /nfs/dbraw/zinc/22/53/46/194225346.db2.gz DXDLNZSYRYAOBH-OAHLLOKOSA-N 1 2 309.373 2.718 20 30 DFEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000619715976 399381422 /nfs/dbraw/zinc/38/14/22/399381422.db2.gz FQDLZDBHUDNGCX-CJNGLKHVSA-N 1 2 322.836 2.746 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000619718864 399382097 /nfs/dbraw/zinc/38/20/97/399382097.db2.gz DCZMCBZAVGGWDS-OCCSQVGLSA-N 1 2 300.358 2.735 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000619718864 399382099 /nfs/dbraw/zinc/38/20/99/399382099.db2.gz DCZMCBZAVGGWDS-OCCSQVGLSA-N 1 2 300.358 2.735 20 30 DFEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602058080 399390238 /nfs/dbraw/zinc/39/02/38/399390238.db2.gz OIHKOMZTLQYMQL-HOTGVXAUSA-N 1 2 314.364 2.990 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602057616 399390291 /nfs/dbraw/zinc/39/02/91/399390291.db2.gz KTLDGHRLNKEDOG-UHFFFAOYSA-N 1 2 310.401 2.825 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602053768 399390406 /nfs/dbraw/zinc/39/04/06/399390406.db2.gz ZTTNFBZKFSTGEL-CYBMUJFWSA-N 1 2 322.290 2.565 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000109759285 194282516 /nfs/dbraw/zinc/28/25/16/194282516.db2.gz DBSMKMHNNDCWKT-CABCVRRESA-N 1 2 323.318 2.699 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000109759285 194282518 /nfs/dbraw/zinc/28/25/18/194282518.db2.gz DBSMKMHNNDCWKT-CABCVRRESA-N 1 2 323.318 2.699 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602136167 399400374 /nfs/dbraw/zinc/40/03/74/399400374.db2.gz QPDCEOGZSZVRBI-WCQYABFASA-N 1 2 314.311 2.529 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602155638 399402136 /nfs/dbraw/zinc/40/21/36/399402136.db2.gz PROMVSJEFLFRDQ-UHFFFAOYSA-N 1 2 312.373 2.638 20 30 DFEDLO N#CC[C@@H]1CC[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602156171 399402292 /nfs/dbraw/zinc/40/22/92/399402292.db2.gz ATMCGMYKJVEEPQ-SDDRHHMPSA-N 1 2 314.311 2.575 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000610786439 399406198 /nfs/dbraw/zinc/40/61/98/399406198.db2.gz FCUXGFKAASWESB-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000610786439 399406200 /nfs/dbraw/zinc/40/62/00/399406200.db2.gz FCUXGFKAASWESB-AWEZNQCLSA-N 1 2 314.307 2.590 20 30 DFEDLO CC(C)C[C@H](C(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000602177652 399405883 /nfs/dbraw/zinc/40/58/83/399405883.db2.gz HTNGUIVGJRCPGD-QGZVFWFLSA-N 1 2 310.401 2.701 20 30 DFEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610939835 399419520 /nfs/dbraw/zinc/41/95/20/399419520.db2.gz WQFVQLDMZCWRLG-UHFFFAOYSA-N 1 2 317.311 2.981 20 30 DFEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610939835 399419523 /nfs/dbraw/zinc/41/95/23/399419523.db2.gz WQFVQLDMZCWRLG-UHFFFAOYSA-N 1 2 317.311 2.981 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991432 399424773 /nfs/dbraw/zinc/42/47/73/399424773.db2.gz FVGDPVBWSSUCGZ-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991432 399424776 /nfs/dbraw/zinc/42/47/76/399424776.db2.gz FVGDPVBWSSUCGZ-UHFFFAOYSA-N 1 2 308.385 2.586 20 30 DFEDLO N#Cc1cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)ccn1 ZINC000610994842 399426600 /nfs/dbraw/zinc/42/66/00/399426600.db2.gz SZZUDBDFFUDRFB-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1C#N ZINC000611127028 399436750 /nfs/dbraw/zinc/43/67/50/399436750.db2.gz YQNVVBVURPJVSC-UHFFFAOYSA-N 1 2 316.401 2.734 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CC(C)(C)OCC2(C)C)c1C#N ZINC000611127028 399436753 /nfs/dbraw/zinc/43/67/53/399436753.db2.gz YQNVVBVURPJVSC-UHFFFAOYSA-N 1 2 316.401 2.734 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H](c1cccnc1)C1CC1 ZINC000611144030 399438933 /nfs/dbraw/zinc/43/89/33/399438933.db2.gz BOCRMLDDIRHEMD-OAHLLOKOSA-N 1 2 319.372 2.698 20 30 DFEDLO COc1ccc([C@H](C)[NH+]2CCN(CCC#N)CC2)cc1Cl ZINC000611173670 399441157 /nfs/dbraw/zinc/44/11/57/399441157.db2.gz GBLOOJQRVIRFSC-ZDUSSCGKSA-N 1 2 307.825 2.941 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179831 399442755 /nfs/dbraw/zinc/44/27/55/399442755.db2.gz KZNXDHKSCPJESE-MWLCHTKSSA-N 1 2 311.332 2.682 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611179831 399442757 /nfs/dbraw/zinc/44/27/57/399442757.db2.gz KZNXDHKSCPJESE-MWLCHTKSSA-N 1 2 311.332 2.682 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[NH+]3CC4(C3)CC(F)(F)C4)o2)c1 ZINC000611180861 399443211 /nfs/dbraw/zinc/44/32/11/399443211.db2.gz YHUYVJOLSWSRNZ-UHFFFAOYSA-N 1 2 316.311 2.839 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(OC)cc1 ZINC000602449283 399446887 /nfs/dbraw/zinc/44/68/87/399446887.db2.gz QFJVVAFVOMGNGV-UHFFFAOYSA-N 1 2 316.357 2.658 20 30 DFEDLO C=CC[N@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(OC)cc1 ZINC000602449283 399446889 /nfs/dbraw/zinc/44/68/89/399446889.db2.gz QFJVVAFVOMGNGV-UHFFFAOYSA-N 1 2 316.357 2.658 20 30 DFEDLO N#Cc1cc2c(nc1N1CCC[C@H](n3cc[nH+]c3)C1)CCCC2 ZINC000611227454 399447922 /nfs/dbraw/zinc/44/79/22/399447922.db2.gz XKXYFNNBJBHFQE-INIZCTEOSA-N 1 2 307.401 2.870 20 30 DFEDLO CC(C)(CNc1[nH+]cnc2c1cnn2CCC#N)c1ccncc1 ZINC000611256619 399452539 /nfs/dbraw/zinc/45/25/39/399452539.db2.gz IHLDAJWYMQWXID-UHFFFAOYSA-N 1 2 321.388 2.525 20 30 DFEDLO Cc1ccc([NH2+]C[C@H](C)CCC#N)c(OCC(=O)N(C)C)c1 ZINC000602493994 399460550 /nfs/dbraw/zinc/46/05/50/399460550.db2.gz VMIVKWULBWDDDJ-CQSZACIVSA-N 1 2 303.406 2.814 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000602484825 399459272 /nfs/dbraw/zinc/45/92/72/399459272.db2.gz IVVKLNAPPLEHGO-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000602484825 399459273 /nfs/dbraw/zinc/45/92/73/399459273.db2.gz IVVKLNAPPLEHGO-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](CC)CN1CC1(C#N)CC1 ZINC000611430757 399475608 /nfs/dbraw/zinc/47/56/08/399475608.db2.gz LWHLUHCTAKFRLT-HZPDHXFCSA-N 1 2 300.450 2.769 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](CC)CN1CC1(C#N)CC1 ZINC000611430757 399475609 /nfs/dbraw/zinc/47/56/09/399475609.db2.gz LWHLUHCTAKFRLT-HZPDHXFCSA-N 1 2 300.450 2.769 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000611478288 399479993 /nfs/dbraw/zinc/47/99/93/399479993.db2.gz FETJZFGXGULCEN-QGZVFWFLSA-N 1 2 320.396 2.916 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1F ZINC000611502357 399483351 /nfs/dbraw/zinc/48/33/51/399483351.db2.gz ROTCWXNYEXLIHD-SMDDNHRTSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1F ZINC000611502357 399483352 /nfs/dbraw/zinc/48/33/52/399483352.db2.gz ROTCWXNYEXLIHD-SMDDNHRTSA-N 1 2 300.337 2.788 20 30 DFEDLO C=CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000611509827 399485144 /nfs/dbraw/zinc/48/51/44/399485144.db2.gz ZOGZXQLIAVYCTC-UHFFFAOYSA-N 1 2 318.384 2.933 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000611566021 399492600 /nfs/dbraw/zinc/49/26/00/399492600.db2.gz LOFLOTJXVPRWQR-ABAIWWIYSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000611566021 399492602 /nfs/dbraw/zinc/49/26/02/399492602.db2.gz LOFLOTJXVPRWQR-ABAIWWIYSA-N 1 2 308.385 2.572 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000602644367 399500853 /nfs/dbraw/zinc/50/08/53/399500853.db2.gz MVHNUPIVVDZMSF-BSWAZPDLSA-N 1 2 303.402 2.512 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)[C@H]1C(=O)OC(C)(C)C ZINC000602693109 399523480 /nfs/dbraw/zinc/52/34/80/399523480.db2.gz QIDCABCWFBVXOZ-XJKSGUPXSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)[C@H]1C(=O)OC(C)(C)C ZINC000602693109 399523483 /nfs/dbraw/zinc/52/34/83/399523483.db2.gz QIDCABCWFBVXOZ-XJKSGUPXSA-N 1 2 315.417 2.895 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)OCC ZINC000270076589 208134112 /nfs/dbraw/zinc/13/41/12/208134112.db2.gz YYAXCZRBUNNHPS-INIZCTEOSA-N 1 2 317.433 2.669 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)OCC ZINC000270080779 208138599 /nfs/dbraw/zinc/13/85/99/208138599.db2.gz ZXPZWRPDJGQHQO-MRXNPFEDSA-N 1 2 317.433 2.669 20 30 DFEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000602700960 399528204 /nfs/dbraw/zinc/52/82/04/399528204.db2.gz YEHRFTXBHHNBEF-UHFFFAOYSA-N 1 2 318.421 2.549 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)sn1 ZINC000602706749 399531164 /nfs/dbraw/zinc/53/11/64/399531164.db2.gz LUGICTGWGRJWSW-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1Cn1cccn1 ZINC000602719206 399537678 /nfs/dbraw/zinc/53/76/78/399537678.db2.gz VKLRPQIXVZVICN-SFHVURJKSA-N 1 2 310.401 2.676 20 30 DFEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1Cn1cccn1 ZINC000602719206 399537683 /nfs/dbraw/zinc/53/76/83/399537683.db2.gz VKLRPQIXVZVICN-SFHVURJKSA-N 1 2 310.401 2.676 20 30 DFEDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000355549374 285093243 /nfs/dbraw/zinc/09/32/43/285093243.db2.gz VTHVFQYQORMYRK-LBPRGKRZSA-N 1 2 313.361 2.783 20 30 DFEDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000355549374 285093244 /nfs/dbraw/zinc/09/32/44/285093244.db2.gz VTHVFQYQORMYRK-LBPRGKRZSA-N 1 2 313.361 2.783 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)C(=O)OC ZINC000602735320 399547672 /nfs/dbraw/zinc/54/76/72/399547672.db2.gz UYCJGJCUXTUUFS-CXAGYDPISA-N 1 2 315.417 2.981 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000602748640 399555277 /nfs/dbraw/zinc/55/52/77/399555277.db2.gz ORVZPUYWPIRXGJ-UHFFFAOYSA-N 1 2 303.353 2.798 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000288401433 335052449 /nfs/dbraw/zinc/05/24/49/335052449.db2.gz GCCMLAFXUUIOID-INIZCTEOSA-N 1 2 324.428 2.811 20 30 DFEDLO C=C(CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000288401433 335052450 /nfs/dbraw/zinc/05/24/50/335052450.db2.gz GCCMLAFXUUIOID-INIZCTEOSA-N 1 2 324.428 2.811 20 30 DFEDLO CS[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)C(C)(C)C ZINC000612098131 399581250 /nfs/dbraw/zinc/58/12/50/399581250.db2.gz DUNUNHSBGNIRLK-GFCCVEGCSA-N 1 2 318.450 2.930 20 30 DFEDLO COC(=O)[C@@H](c1cccc(OC)c1)[NH+]1CCC(CC#N)CC1 ZINC000602806697 399582843 /nfs/dbraw/zinc/58/28/43/399582843.db2.gz OTTXAKNINMELMR-MRXNPFEDSA-N 1 2 302.374 2.535 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000602808639 399583656 /nfs/dbraw/zinc/58/36/56/399583656.db2.gz NAXUVKHKOLGJPF-UHFFFAOYSA-N 1 2 313.361 2.732 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157247131 197173284 /nfs/dbraw/zinc/17/32/84/197173284.db2.gz QTFCYINLYUWXQU-OAHLLOKOSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157247131 197173285 /nfs/dbraw/zinc/17/32/85/197173285.db2.gz QTFCYINLYUWXQU-OAHLLOKOSA-N 1 2 319.380 2.796 20 30 DFEDLO C[C@]1(C#N)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000612113533 399585444 /nfs/dbraw/zinc/58/54/44/399585444.db2.gz OIFJUQUQIDTKGQ-GOSISDBHSA-N 1 2 323.400 2.708 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000612157807 399594308 /nfs/dbraw/zinc/59/43/08/399594308.db2.gz DOTAMLNZOPKHMT-OAHLLOKOSA-N 1 2 302.403 2.574 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000612157807 399594310 /nfs/dbraw/zinc/59/43/10/399594310.db2.gz DOTAMLNZOPKHMT-OAHLLOKOSA-N 1 2 302.403 2.574 20 30 DFEDLO C#CCCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000156001674 197079416 /nfs/dbraw/zinc/07/94/16/197079416.db2.gz UHEFURULJXRVGJ-QGZVFWFLSA-N 1 2 316.470 2.696 20 30 DFEDLO N#CCC1(C[N@@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000602848010 399600451 /nfs/dbraw/zinc/60/04/51/399600451.db2.gz CFWGJGRVCRNSKK-UHFFFAOYSA-N 1 2 306.207 2.896 20 30 DFEDLO N#CCC1(C[N@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000602848010 399600458 /nfs/dbraw/zinc/60/04/58/399600458.db2.gz CFWGJGRVCRNSKK-UHFFFAOYSA-N 1 2 306.207 2.896 20 30 DFEDLO C[C@@H]1C[NH+](Cc2csc(C(C)(C)C)n2)C[C@@H](C)N1CC#N ZINC000602854242 399603126 /nfs/dbraw/zinc/60/31/26/399603126.db2.gz AQOGTDGTOZVGBC-CHWSQXEVSA-N 1 2 306.479 2.859 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602855633 399604602 /nfs/dbraw/zinc/60/46/02/399604602.db2.gz IBTFKFJLWUNFOY-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H](C)N1CC#N ZINC000602855633 399604608 /nfs/dbraw/zinc/60/46/08/399604608.db2.gz IBTFKFJLWUNFOY-GASCZTMLSA-N 1 2 310.401 2.760 20 30 DFEDLO C[C@@H]1C[NH+](Cc2csc(-c3ccco3)n2)C[C@@H](C)N1CC#N ZINC000602858236 399604891 /nfs/dbraw/zinc/60/48/91/399604891.db2.gz QKWXUDXETOPNAL-CHWSQXEVSA-N 1 2 316.430 2.821 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1sccc1C#N ZINC000052034073 542445809 /nfs/dbraw/zinc/44/58/09/542445809.db2.gz QWTNMJFNJHDHIJ-UHFFFAOYSA-N 1 2 310.382 2.708 20 30 DFEDLO CC(C)n1ncnc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897202 399618394 /nfs/dbraw/zinc/61/83/94/399618394.db2.gz VFLDPSBFPDJOET-UHFFFAOYSA-N 1 2 324.432 2.807 20 30 DFEDLO CC(C)c1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1C ZINC000602906409 399622382 /nfs/dbraw/zinc/62/23/82/399622382.db2.gz HSGDZOPNJMUGAL-UHFFFAOYSA-N 1 2 324.432 2.585 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000603070203 399670824 /nfs/dbraw/zinc/67/08/24/399670824.db2.gz FDYFKXFCNVLSIT-UHFFFAOYSA-N 1 2 313.336 2.832 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc(OC)c1OC ZINC000612406024 399644770 /nfs/dbraw/zinc/64/47/70/399644770.db2.gz GNSBMVLVOBDGGV-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc(OC)c1OC ZINC000612406024 399644775 /nfs/dbraw/zinc/64/47/75/399644775.db2.gz GNSBMVLVOBDGGV-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602976802 399645590 /nfs/dbraw/zinc/64/55/90/399645590.db2.gz SYXNOCNXBFBKBZ-KBAYOESNSA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602976802 399645591 /nfs/dbraw/zinc/64/55/91/399645591.db2.gz SYXNOCNXBFBKBZ-KBAYOESNSA-N 1 2 311.429 2.804 20 30 DFEDLO C[N@H+]([C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980132 399647774 /nfs/dbraw/zinc/64/77/74/399647774.db2.gz MIHIBTVNPPXKDY-KBAYOESNSA-N 1 2 322.412 2.678 20 30 DFEDLO C[N@@H+]([C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602980132 399647778 /nfs/dbraw/zinc/64/77/78/399647778.db2.gz MIHIBTVNPPXKDY-KBAYOESNSA-N 1 2 322.412 2.678 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799622 399648316 /nfs/dbraw/zinc/64/83/16/399648316.db2.gz ODYXDHAQOACFCB-HNAYVOBHSA-N 1 2 323.396 2.930 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799622 399648323 /nfs/dbraw/zinc/64/83/23/399648323.db2.gz ODYXDHAQOACFCB-HNAYVOBHSA-N 1 2 323.396 2.930 20 30 DFEDLO N#Cc1cnn(-c2ccccc2)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603289557 399733025 /nfs/dbraw/zinc/73/30/25/399733025.db2.gz YITGKWWFAGUKBX-KRWDZBQOSA-N 1 2 318.384 2.782 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000292888408 533234146 /nfs/dbraw/zinc/23/41/46/533234146.db2.gz YOVUJFONUOCEDJ-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000292888408 533234152 /nfs/dbraw/zinc/23/41/52/533234152.db2.gz YOVUJFONUOCEDJ-HNNXBMFYSA-N 1 2 304.390 2.586 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000121843026 195360502 /nfs/dbraw/zinc/36/05/02/195360502.db2.gz GOQCQOXFAKPSRZ-INIZCTEOSA-N 1 2 311.389 2.672 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000121843026 195360504 /nfs/dbraw/zinc/36/05/04/195360504.db2.gz GOQCQOXFAKPSRZ-INIZCTEOSA-N 1 2 311.389 2.672 20 30 DFEDLO COCc1cc(C#N)ccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000603313542 399741189 /nfs/dbraw/zinc/74/11/89/399741189.db2.gz VIXMIWIKTFEGQG-RDTXWAMCSA-N 1 2 310.401 2.989 20 30 DFEDLO C=CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)COC ZINC000617577505 399745469 /nfs/dbraw/zinc/74/54/69/399745469.db2.gz POZSBPWQDKBRTR-HNNXBMFYSA-N 1 2 313.401 2.595 20 30 DFEDLO C=CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)COC ZINC000617577811 399745935 /nfs/dbraw/zinc/74/59/35/399745935.db2.gz WIDAQITVVOTTRQ-OAHLLOKOSA-N 1 2 313.401 2.595 20 30 DFEDLO C=CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@H](C)COC ZINC000617582239 399747936 /nfs/dbraw/zinc/74/79/36/399747936.db2.gz JKFGDJATFZMVDS-GFCCVEGCSA-N 1 2 301.390 2.545 20 30 DFEDLO CCn1cc[nH+]c1CNc1ccc(C#N)cc1COCCOC ZINC000603387812 399762008 /nfs/dbraw/zinc/76/20/08/399762008.db2.gz HCCLEAPZLVAQRZ-UHFFFAOYSA-N 1 2 314.389 2.550 20 30 DFEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000626158686 399780069 /nfs/dbraw/zinc/78/00/69/399780069.db2.gz YMDGZWBSISNLPP-INIZCTEOSA-N 1 2 304.821 2.682 20 30 DFEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000626158686 399780073 /nfs/dbraw/zinc/78/00/73/399780073.db2.gz YMDGZWBSISNLPP-INIZCTEOSA-N 1 2 304.821 2.682 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1=O ZINC000626178685 399785699 /nfs/dbraw/zinc/78/56/99/399785699.db2.gz DRKBLYILBJVVBM-CQSZACIVSA-N 1 2 306.356 2.721 20 30 DFEDLO C[C@@]1(O)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287806191 131300908 /nfs/dbraw/zinc/30/09/08/131300908.db2.gz OULSACSDVIDCJM-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287806191 131300909 /nfs/dbraw/zinc/30/09/09/131300909.db2.gz OULSACSDVIDCJM-CQSZACIVSA-N 1 2 309.207 2.668 20 30 DFEDLO C=CCc1cc(C[NH2+]Cc2nnc(CC)s2)cc(OC)c1O ZINC000289864787 335066647 /nfs/dbraw/zinc/06/66/47/335066647.db2.gz QOVXGKCGTGJYMH-UHFFFAOYSA-N 1 2 319.430 2.833 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000290143525 543010471 /nfs/dbraw/zinc/01/04/71/543010471.db2.gz GGCIUKFAZWUUTE-UHFFFAOYSA-N 1 2 300.362 2.697 20 30 DFEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCCO1 ZINC000328882197 543098269 /nfs/dbraw/zinc/09/82/69/543098269.db2.gz LPDUVQZIVUEQRQ-CYBMUJFWSA-N 1 2 320.389 2.547 20 30 DFEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCCO1 ZINC000328882197 543098272 /nfs/dbraw/zinc/09/82/72/543098272.db2.gz LPDUVQZIVUEQRQ-CYBMUJFWSA-N 1 2 320.389 2.547 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)[N@H+](C)C1 ZINC000328963361 543098892 /nfs/dbraw/zinc/09/88/92/543098892.db2.gz RBRCGLKIEOCDND-JQWIXIFHSA-N 1 2 309.435 2.719 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)[N@@H+](C)C1 ZINC000328963361 543098895 /nfs/dbraw/zinc/09/88/95/543098895.db2.gz RBRCGLKIEOCDND-JQWIXIFHSA-N 1 2 309.435 2.719 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](CC(F)(F)F)C1 ZINC000617972404 399853744 /nfs/dbraw/zinc/85/37/44/399853744.db2.gz ISFLVKVRDHRVSM-SNVBAGLBSA-N 1 2 324.310 2.519 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000633137164 399854848 /nfs/dbraw/zinc/85/48/48/399854848.db2.gz NXNCSRQUAXYAGR-HNNXBMFYSA-N 1 2 316.449 2.952 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000604551503 399854885 /nfs/dbraw/zinc/85/48/85/399854885.db2.gz ALZCFBCISXIORT-OCCSQVGLSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000604551503 399854887 /nfs/dbraw/zinc/85/48/87/399854887.db2.gz ALZCFBCISXIORT-OCCSQVGLSA-N 1 2 320.462 2.597 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCCCC1 ZINC000025404755 145186639 /nfs/dbraw/zinc/18/66/39/145186639.db2.gz PAQXLNPTTQFYPL-LLVKDONJSA-N 1 2 303.431 2.921 20 30 DFEDLO N#Cc1cc(N2CCCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000167518330 145240611 /nfs/dbraw/zinc/24/06/11/145240611.db2.gz WLEGIERPLVSDDZ-UHFFFAOYSA-N 1 2 323.356 2.578 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000628486887 400036261 /nfs/dbraw/zinc/03/62/61/400036261.db2.gz SHRFDWPBXXBGAJ-INIZCTEOSA-N 1 2 314.429 2.557 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303797 400012464 /nfs/dbraw/zinc/01/24/64/400012464.db2.gz HMJHDCLGKKSDPG-AWEZNQCLSA-N 1 2 319.474 2.853 20 30 DFEDLO N#Cc1nc(NCCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000443511157 543358015 /nfs/dbraw/zinc/35/80/15/543358015.db2.gz PCAZOLKXTXXOPS-UHFFFAOYSA-N 1 2 321.306 3.281 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246004192 146114735 /nfs/dbraw/zinc/11/47/35/146114735.db2.gz KDJZSECSMFVPMF-IAGOWNOFSA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246004192 146114737 /nfs/dbraw/zinc/11/47/37/146114737.db2.gz KDJZSECSMFVPMF-IAGOWNOFSA-N 1 2 312.369 2.567 20 30 DFEDLO N#Cc1cccc(NC(=O)C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000355220531 147229118 /nfs/dbraw/zinc/22/91/18/147229118.db2.gz NMQPWBQLUVMERI-UHFFFAOYSA-N 1 2 306.369 2.808 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000355324833 147266580 /nfs/dbraw/zinc/26/65/80/147266580.db2.gz RYQMYOVOIUQJPF-UHFFFAOYSA-N 1 2 318.336 2.966 20 30 DFEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000357537392 148027723 /nfs/dbraw/zinc/02/77/23/148027723.db2.gz PXFIFBWNDLIOKL-HNNXBMFYSA-N 1 2 310.313 2.519 20 30 DFEDLO Cc1cc(NCCc2cccc(C#N)c2)nc(-c2ccncc2)[nH+]1 ZINC000359932194 148790878 /nfs/dbraw/zinc/79/08/78/148790878.db2.gz NAQGRSSYFYERBY-UHFFFAOYSA-N 1 2 315.380 2.795 20 30 DFEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000361087006 149025298 /nfs/dbraw/zinc/02/52/98/149025298.db2.gz KPSHZJZVZWZJDQ-CQSZACIVSA-N 1 2 305.381 2.751 20 30 DFEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000361087006 149025302 /nfs/dbraw/zinc/02/53/02/149025302.db2.gz KPSHZJZVZWZJDQ-CQSZACIVSA-N 1 2 305.381 2.751 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361411531 149107970 /nfs/dbraw/zinc/10/79/70/149107970.db2.gz YQNHSXOYPQMWOV-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361411531 149107971 /nfs/dbraw/zinc/10/79/71/149107971.db2.gz YQNHSXOYPQMWOV-CQSZACIVSA-N 1 2 308.385 2.721 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361526701 149139537 /nfs/dbraw/zinc/13/95/37/149139537.db2.gz PXDUXZBQKPPHNR-KRWDZBQOSA-N 1 2 320.820 2.982 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361526701 149139539 /nfs/dbraw/zinc/13/95/39/149139539.db2.gz PXDUXZBQKPPHNR-KRWDZBQOSA-N 1 2 320.820 2.982 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1F ZINC000361746439 149208297 /nfs/dbraw/zinc/20/82/97/149208297.db2.gz KZXJHXARBCTXMP-HNNXBMFYSA-N 1 2 306.287 2.799 20 30 DFEDLO C[C@@H]([NH2+]Cc1ncnn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371833506 150101868 /nfs/dbraw/zinc/10/18/68/150101868.db2.gz AQAQCXSLNWLRSE-LLVKDONJSA-N 1 2 324.413 2.661 20 30 DFEDLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOc2cccc(C#N)c2)[nH]1 ZINC000372132913 150139984 /nfs/dbraw/zinc/13/99/84/150139984.db2.gz ZVIRTTNONIPPBL-INIZCTEOSA-N 1 2 311.389 2.591 20 30 DFEDLO Cc1nnc([C@@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)[nH]1 ZINC000372132913 150139986 /nfs/dbraw/zinc/13/99/86/150139986.db2.gz ZVIRTTNONIPPBL-INIZCTEOSA-N 1 2 311.389 2.591 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)CCC2 ZINC000372825220 150189681 /nfs/dbraw/zinc/18/96/81/150189681.db2.gz UXVZRBYSBLPXGA-QGZVFWFLSA-N 1 2 322.412 2.690 20 30 DFEDLO Cc1ccc2ncc(C#N)c(N3CCc4c([nH+]cn4C)C3)c2c1 ZINC000366079461 292394084 /nfs/dbraw/zinc/39/40/84/292394084.db2.gz BUHZOWSCLKIPMX-UHFFFAOYSA-N 1 2 303.369 2.711 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000054183434 425889632 /nfs/dbraw/zinc/88/96/32/425889632.db2.gz RRHZNQDVLUHWQJ-SNVBAGLBSA-N 1 2 311.179 2.960 20 30 DFEDLO N#Cc1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000133053337 196307883 /nfs/dbraw/zinc/30/78/83/196307883.db2.gz XKAPPTLKKNOUCV-UHFFFAOYSA-N 1 2 304.357 2.609 20 30 DFEDLO C#Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000290397052 335073111 /nfs/dbraw/zinc/07/31/11/335073111.db2.gz PAOJWLDEMWTDLT-UHFFFAOYSA-N 1 2 307.397 2.636 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000670098629 544022506 /nfs/dbraw/zinc/02/25/06/544022506.db2.gz CBTVUTKTWLMTFG-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000670098629 544022509 /nfs/dbraw/zinc/02/25/09/544022509.db2.gz CBTVUTKTWLMTFG-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C#CC[N@@H+](Cc1cn2ccc(Br)cc2n1)C1CC1 ZINC000290929333 335077501 /nfs/dbraw/zinc/07/75/01/335077501.db2.gz RSUNCJFNENHXGL-UHFFFAOYSA-N 1 2 304.191 2.694 20 30 DFEDLO C#CC[N@H+](Cc1cn2ccc(Br)cc2n1)C1CC1 ZINC000290929333 335077502 /nfs/dbraw/zinc/07/75/02/335077502.db2.gz RSUNCJFNENHXGL-UHFFFAOYSA-N 1 2 304.191 2.694 20 30 DFEDLO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000194608355 335077960 /nfs/dbraw/zinc/07/79/60/335077960.db2.gz KJGQGLRCXLPGGR-UHFFFAOYSA-N 1 2 312.772 2.565 20 30 DFEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cn[nH]c1 ZINC000673926976 544208379 /nfs/dbraw/zinc/20/83/79/544208379.db2.gz DVNNNQBEEDKKKG-UHFFFAOYSA-N 1 2 321.384 2.593 20 30 DFEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cn[nH]c1 ZINC000673926976 544208380 /nfs/dbraw/zinc/20/83/80/544208380.db2.gz DVNNNQBEEDKKKG-UHFFFAOYSA-N 1 2 321.384 2.593 20 30 DFEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cn[nH]c1 ZINC000676705408 544394007 /nfs/dbraw/zinc/39/40/07/544394007.db2.gz YBGYXEZVKHNHGH-UHFFFAOYSA-N 1 2 309.291 2.792 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cn[nH]c1 ZINC000676705408 544394009 /nfs/dbraw/zinc/39/40/09/544394009.db2.gz YBGYXEZVKHNHGH-UHFFFAOYSA-N 1 2 309.291 2.792 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000677047722 544425831 /nfs/dbraw/zinc/42/58/31/544425831.db2.gz HKEMJTXMEJZBCA-ZDUSSCGKSA-N 1 2 306.356 2.525 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000677047710 544425854 /nfs/dbraw/zinc/42/58/54/544425854.db2.gz GVFDHGCYKMTJHT-HNNXBMFYSA-N 1 2 302.393 2.694 20 30 DFEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000677479218 544494436 /nfs/dbraw/zinc/49/44/36/544494436.db2.gz JYDJTKBFDPOYLF-KRWDZBQOSA-N 1 2 313.445 2.658 20 30 DFEDLO CC[C@H](C)[N@H+](CC#CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000677480813 544496048 /nfs/dbraw/zinc/49/60/48/544496048.db2.gz ZYYGNAYDAFGGPT-AWEZNQCLSA-N 1 2 313.401 2.586 20 30 DFEDLO CC[C@H](C)[N@@H+](CC#CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000677480813 544496052 /nfs/dbraw/zinc/49/60/52/544496052.db2.gz ZYYGNAYDAFGGPT-AWEZNQCLSA-N 1 2 313.401 2.586 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3nnc(N(C)C)cc3C2)cc1 ZINC000678243191 544629078 /nfs/dbraw/zinc/62/90/78/544629078.db2.gz WTKLRZRCQSBYEL-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3nnc(N(C)C)cc3C2)cc1 ZINC000678243191 544629082 /nfs/dbraw/zinc/62/90/82/544629082.db2.gz WTKLRZRCQSBYEL-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO Cc1cc(N2CCN(c3ccnc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000299705223 229348280 /nfs/dbraw/zinc/34/82/80/229348280.db2.gz ZEAUMVVDTHFZBI-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066852917 425907165 /nfs/dbraw/zinc/90/71/65/425907165.db2.gz WPBNGGJTRUAHQQ-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066852917 425907166 /nfs/dbraw/zinc/90/71/66/425907166.db2.gz WPBNGGJTRUAHQQ-FUHWJXTLSA-N 1 2 314.429 2.649 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccn(C)n1 ZINC000459794539 269843726 /nfs/dbraw/zinc/84/37/26/269843726.db2.gz PQJDHDZAJLKDPZ-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000068807308 425921439 /nfs/dbraw/zinc/92/14/39/425921439.db2.gz HLUUZLGDFWOUGN-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000068807308 425921442 /nfs/dbraw/zinc/92/14/42/425921442.db2.gz HLUUZLGDFWOUGN-SFHVURJKSA-N 1 2 323.371 2.935 20 30 DFEDLO Cn1cccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446917388 269935859 /nfs/dbraw/zinc/93/58/59/269935859.db2.gz YYCCVCBJGXOKPB-UHFFFAOYSA-N 1 2 314.820 2.872 20 30 DFEDLO N#Cc1nn(Cc2[nH+]ccn2CC(F)(F)F)c2ccccc12 ZINC000432458942 269982205 /nfs/dbraw/zinc/98/22/05/269982205.db2.gz XLZANCFJMKEZCB-UHFFFAOYSA-N 1 2 305.263 2.715 20 30 DFEDLO Cc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425242931 270000990 /nfs/dbraw/zinc/00/09/90/270000990.db2.gz SJISEOIQDAEIBN-UHFFFAOYSA-N 1 2 309.295 2.650 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000156345073 425933885 /nfs/dbraw/zinc/93/38/85/425933885.db2.gz RXXMYOYVKSGBRP-ZDUSSCGKSA-N 1 2 323.387 2.805 20 30 DFEDLO C=C(C)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000156345073 425933889 /nfs/dbraw/zinc/93/38/89/425933889.db2.gz RXXMYOYVKSGBRP-ZDUSSCGKSA-N 1 2 323.387 2.805 20 30 DFEDLO N#CC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1CCCC1 ZINC000156754845 425935422 /nfs/dbraw/zinc/93/54/22/425935422.db2.gz SXSXYNJMFJMDEU-UHFFFAOYSA-N 1 2 315.373 2.512 20 30 DFEDLO N#CC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1CCCC1 ZINC000156754845 425935426 /nfs/dbraw/zinc/93/54/26/425935426.db2.gz SXSXYNJMFJMDEU-UHFFFAOYSA-N 1 2 315.373 2.512 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142262 425937427 /nfs/dbraw/zinc/93/74/27/425937427.db2.gz DPHFHYVQXSRPTC-MRXNPFEDSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142262 425937431 /nfs/dbraw/zinc/93/74/31/425937431.db2.gz DPHFHYVQXSRPTC-MRXNPFEDSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCCCNC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425203238 267002781 /nfs/dbraw/zinc/00/27/81/267002781.db2.gz DYBWTVDGMZLGLY-UHFFFAOYSA-N 1 2 314.433 2.785 20 30 DFEDLO C[C@@H](c1cccc(NC(=O)c2c[nH]c(C#N)c2)c1)[NH+]1CCOCC1 ZINC000351955048 267003627 /nfs/dbraw/zinc/00/36/27/267003627.db2.gz FQIDFDZRWVUPRN-ZDUSSCGKSA-N 1 2 324.384 2.532 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000346776395 267005471 /nfs/dbraw/zinc/00/54/71/267005471.db2.gz BNCTYOKSISNFOD-LBPRGKRZSA-N 1 2 315.398 2.732 20 30 DFEDLO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@@H](C)[NH+]1C ZINC000135265929 267061825 /nfs/dbraw/zinc/06/18/25/267061825.db2.gz DHADFQKUDLMUAA-GHMZBOCLSA-N 1 2 308.223 2.850 20 30 DFEDLO CC[N@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373189 267068690 /nfs/dbraw/zinc/06/86/90/267068690.db2.gz JWZQZPUPYHHMIB-UHFFFAOYSA-N 1 2 316.386 2.988 20 30 DFEDLO CC[N@@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373189 267068693 /nfs/dbraw/zinc/06/86/93/267068693.db2.gz JWZQZPUPYHHMIB-UHFFFAOYSA-N 1 2 316.386 2.988 20 30 DFEDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000344160680 267089092 /nfs/dbraw/zinc/08/90/92/267089092.db2.gz FTPSQYGZPYSDSK-VXGBXAGGSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000344160680 267089093 /nfs/dbraw/zinc/08/90/93/267089093.db2.gz FTPSQYGZPYSDSK-VXGBXAGGSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1Cl ZINC000352877523 267091319 /nfs/dbraw/zinc/09/13/19/267091319.db2.gz QZWWJNWNCQXNIU-CJNGLKHVSA-N 1 2 319.836 2.507 20 30 DFEDLO CCOC(=O)C(CC)(CC)[NH2+]CCOc1ccc(C#N)cc1 ZINC000429284310 267113444 /nfs/dbraw/zinc/11/34/44/267113444.db2.gz JUTSBRQKRJSOFT-UHFFFAOYSA-N 1 2 304.390 2.649 20 30 DFEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000492392038 267122418 /nfs/dbraw/zinc/12/24/18/267122418.db2.gz RBNAXBRSQKSTLG-UHFFFAOYSA-N 1 2 321.808 2.876 20 30 DFEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000492392038 267122419 /nfs/dbraw/zinc/12/24/19/267122419.db2.gz RBNAXBRSQKSTLG-UHFFFAOYSA-N 1 2 321.808 2.876 20 30 DFEDLO CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C ZINC000451539379 267147499 /nfs/dbraw/zinc/14/74/99/267147499.db2.gz KCJKLKJGNYJNNF-KBRIMQKVSA-N 1 2 316.401 2.519 20 30 DFEDLO CCO[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C ZINC000451539379 267147503 /nfs/dbraw/zinc/14/75/03/267147503.db2.gz KCJKLKJGNYJNNF-KBRIMQKVSA-N 1 2 316.401 2.519 20 30 DFEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@H]1Oc1ccccc1 ZINC000520221346 267151215 /nfs/dbraw/zinc/15/12/15/267151215.db2.gz OFCKKJXKOZOGTL-IPMKNSEASA-N 1 2 323.396 2.721 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491840 267203637 /nfs/dbraw/zinc/20/36/37/267203637.db2.gz JQFIQQKHDWFPDE-TZMCWYRMSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491840 267203638 /nfs/dbraw/zinc/20/36/38/267203638.db2.gz JQFIQQKHDWFPDE-TZMCWYRMSA-N 1 2 319.405 2.596 20 30 DFEDLO C[C@H]1CCN(C(=O)c2cscc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000342873800 267215898 /nfs/dbraw/zinc/21/58/98/267215898.db2.gz XWDIADKBHUGNEE-SMDDNHRTSA-N 1 2 300.387 2.540 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000492832533 267255070 /nfs/dbraw/zinc/25/50/70/267255070.db2.gz RSGQHDAKVGQCQH-SREVYHEPSA-N 1 2 306.369 2.593 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000493000764 267256067 /nfs/dbraw/zinc/25/60/67/267256067.db2.gz ZWAMVDLROOCUSW-IJDCCNJMSA-N 1 2 320.396 2.982 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763437 267258765 /nfs/dbraw/zinc/25/87/65/267258765.db2.gz PCRUKEJKCGZENE-VIFPVBQESA-N 1 2 318.768 2.706 20 30 DFEDLO Cc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cs1 ZINC000348326009 267634739 /nfs/dbraw/zinc/63/47/39/267634739.db2.gz ZWMQDRAWRFOXBV-JTQLQIEISA-N 1 2 300.387 2.613 20 30 DFEDLO N#Cc1ccsc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000026371713 425811948 /nfs/dbraw/zinc/81/19/48/425811948.db2.gz UISFXZSCLDYAKA-UHFFFAOYSA-N 1 2 314.395 2.998 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000013581133 425757179 /nfs/dbraw/zinc/75/71/79/425757179.db2.gz FXHHMDYNRLYBIP-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cccc(C#N)c1 ZINC000045214330 425860388 /nfs/dbraw/zinc/86/03/88/425860388.db2.gz YYAGMRSMDYKIRD-UHFFFAOYSA-N 1 2 318.380 2.787 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000045343840 425860907 /nfs/dbraw/zinc/86/09/07/425860907.db2.gz GUHKIFQBDDVILN-AWEZNQCLSA-N 1 2 302.809 2.906 20 30 DFEDLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488052759 268005111 /nfs/dbraw/zinc/00/51/11/268005111.db2.gz NYHUXHFAPPICEC-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488052759 268005112 /nfs/dbraw/zinc/00/51/12/268005112.db2.gz NYHUXHFAPPICEC-KRWDZBQOSA-N 1 2 311.360 2.664 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])CCC2 ZINC000425248235 268069573 /nfs/dbraw/zinc/06/95/73/268069573.db2.gz QIWZEVDCAMGKIK-ZDUSSCGKSA-N 1 2 311.345 2.961 20 30 DFEDLO Cc1cnc(CC[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459370062 268070275 /nfs/dbraw/zinc/07/02/75/268070275.db2.gz GZDVFZIHIRTCLD-UHFFFAOYSA-N 1 2 316.386 2.906 20 30 DFEDLO Cc1cnc(CC[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])s1 ZINC000459370062 268070276 /nfs/dbraw/zinc/07/02/76/268070276.db2.gz GZDVFZIHIRTCLD-UHFFFAOYSA-N 1 2 316.386 2.906 20 30 DFEDLO Cc1cn2cc(NC(=O)CNc3cccc(C#N)c3)ccc2[nH+]1 ZINC000426436876 268070494 /nfs/dbraw/zinc/07/04/94/268070494.db2.gz SPLPTTUDLUMTMO-UHFFFAOYSA-N 1 2 305.341 2.565 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185765682 268075291 /nfs/dbraw/zinc/07/52/91/268075291.db2.gz PPBUBZPBJJSTIS-UHFFFAOYSA-N 1 2 319.368 2.545 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2cncc(C#N)n2)CC1 ZINC000420623703 268080894 /nfs/dbraw/zinc/08/08/94/268080894.db2.gz JOZQONUGADKTET-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)nc1 ZINC000193767344 268118957 /nfs/dbraw/zinc/11/89/57/268118957.db2.gz IUCMWMMSRUDSAN-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC000450916734 268181400 /nfs/dbraw/zinc/18/14/00/268181400.db2.gz AXHSQMUBZWZUKQ-UHFFFAOYSA-N 1 2 318.764 2.680 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC34CC4)CC2)cc1 ZINC000527687221 268220919 /nfs/dbraw/zinc/22/09/19/268220919.db2.gz RXQTYVDDAFIPTP-GOSISDBHSA-N 1 2 323.440 2.783 20 30 DFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000421910576 268231237 /nfs/dbraw/zinc/23/12/37/268231237.db2.gz GLXAMFOOWHZCJL-INIZCTEOSA-N 1 2 311.410 2.510 20 30 DFEDLO N#Cc1ccc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000421910576 268231241 /nfs/dbraw/zinc/23/12/41/268231241.db2.gz GLXAMFOOWHZCJL-INIZCTEOSA-N 1 2 311.410 2.510 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1F ZINC000352886746 268247702 /nfs/dbraw/zinc/24/77/02/268247702.db2.gz QZEWIKRSNQSHKB-QGZVFWFLSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1F ZINC000352886746 268247703 /nfs/dbraw/zinc/24/77/03/268247703.db2.gz QZEWIKRSNQSHKB-QGZVFWFLSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000459423197 268289464 /nfs/dbraw/zinc/28/94/64/268289464.db2.gz GQPVCCWCFGZNCZ-HNNXBMFYSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000459423197 268289467 /nfs/dbraw/zinc/28/94/67/268289467.db2.gz GQPVCCWCFGZNCZ-HNNXBMFYSA-N 1 2 315.373 2.857 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000432494700 268320442 /nfs/dbraw/zinc/32/04/42/268320442.db2.gz FKKBSXHRNVAQCG-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000432585867 268320515 /nfs/dbraw/zinc/32/05/15/268320515.db2.gz VYKUTPXVNAYNNF-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(C#N)c[nH+]1 ZINC000333404542 268396299 /nfs/dbraw/zinc/39/62/99/268396299.db2.gz GHYKGGAKBOBATJ-CYBMUJFWSA-N 1 2 308.389 2.572 20 30 DFEDLO Cc1cccc(-c2nc(C=C(O)NC3=[NH+]CCS3)cs2)c1 ZINC000071800516 425989511 /nfs/dbraw/zinc/98/95/11/425989511.db2.gz QVYFLPPXOJHVRL-UHFFFAOYSA-N 1 2 317.439 2.880 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124845298 425941169 /nfs/dbraw/zinc/94/11/69/425941169.db2.gz AWWJTDUAFPQHQY-QGZVFWFLSA-N 1 2 320.458 2.750 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124845298 425941171 /nfs/dbraw/zinc/94/11/71/425941171.db2.gz AWWJTDUAFPQHQY-QGZVFWFLSA-N 1 2 320.458 2.750 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000158413738 425942131 /nfs/dbraw/zinc/94/21/31/425942131.db2.gz LLABEEZHWFJPOI-KZNAEPCWSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000158413738 425942132 /nfs/dbraw/zinc/94/21/32/425942132.db2.gz LLABEEZHWFJPOI-KZNAEPCWSA-N 1 2 319.832 2.960 20 30 DFEDLO Cc1cccc2[nH+]c(CSc3nc(N)c(C#N)cc3C#N)cn21 ZINC000073788032 426030821 /nfs/dbraw/zinc/03/08/21/426030821.db2.gz DESXCMVZRIGMEM-UHFFFAOYSA-N 1 2 320.381 2.656 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000074990110 426060267 /nfs/dbraw/zinc/06/02/67/426060267.db2.gz RLYKLQYHXJRPIR-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000074990110 426060270 /nfs/dbraw/zinc/06/02/70/426060270.db2.gz RLYKLQYHXJRPIR-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO COc1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)nn1C ZINC000162335014 426061508 /nfs/dbraw/zinc/06/15/08/426061508.db2.gz WZGPFRDSZLLGHT-JTQLQIEISA-N 1 2 302.353 2.599 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000072691132 426019829 /nfs/dbraw/zinc/01/98/29/426019829.db2.gz XYMJVBOGVWFOSK-UHFFFAOYSA-N 1 2 304.419 2.518 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000072691132 426019830 /nfs/dbraw/zinc/01/98/30/426019830.db2.gz XYMJVBOGVWFOSK-UHFFFAOYSA-N 1 2 304.419 2.518 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127829196 426089179 /nfs/dbraw/zinc/08/91/79/426089179.db2.gz BWFRWJHRFGZNPK-UHFFFAOYSA-N 1 2 315.392 2.677 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127829196 426089183 /nfs/dbraw/zinc/08/91/83/426089183.db2.gz BWFRWJHRFGZNPK-UHFFFAOYSA-N 1 2 315.392 2.677 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000128001123 426096394 /nfs/dbraw/zinc/09/63/94/426096394.db2.gz KWUBFQTUNWIFHL-WMLDXEAASA-N 1 2 308.385 2.979 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000075715299 426082099 /nfs/dbraw/zinc/08/20/99/426082099.db2.gz KVSLJROPNGOVJH-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000075715299 426082102 /nfs/dbraw/zinc/08/21/02/426082102.db2.gz KVSLJROPNGOVJH-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC000116895169 426201059 /nfs/dbraw/zinc/20/10/59/426201059.db2.gz ZHBMSPXBHQYEIG-KRWDZBQOSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000116895169 426201063 /nfs/dbraw/zinc/20/10/63/426201063.db2.gz ZHBMSPXBHQYEIG-KRWDZBQOSA-N 1 2 312.369 2.912 20 30 DFEDLO COc1ccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1C#N ZINC000135058428 426204154 /nfs/dbraw/zinc/20/41/54/426204154.db2.gz FUKZBGSWMSNOBZ-UHFFFAOYSA-N 1 2 324.428 2.982 20 30 DFEDLO CC(C)C[N@@H+]1CCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000129623086 426140108 /nfs/dbraw/zinc/14/01/08/426140108.db2.gz QFFAAHBAEBZQRQ-GFHWABCWSA-N 1 2 305.378 2.840 20 30 DFEDLO CC(C)C[N@H+]1CCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000129623086 426140111 /nfs/dbraw/zinc/14/01/11/426140111.db2.gz QFFAAHBAEBZQRQ-GFHWABCWSA-N 1 2 305.378 2.840 20 30 DFEDLO N#CC[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000130163404 426149292 /nfs/dbraw/zinc/14/92/92/426149292.db2.gz GRLMGQQRVXKOPT-OAHLLOKOSA-N 1 2 313.401 2.676 20 30 DFEDLO N#CC[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCC1 ZINC000130163404 426149294 /nfs/dbraw/zinc/14/92/94/426149294.db2.gz GRLMGQQRVXKOPT-OAHLLOKOSA-N 1 2 313.401 2.676 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000115595335 426169046 /nfs/dbraw/zinc/16/90/46/426169046.db2.gz XZKKXCVDWIHHQP-QLJPJBMISA-N 1 2 315.323 2.714 20 30 DFEDLO CCOc1ccc(O)c(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000133117663 426172513 /nfs/dbraw/zinc/17/25/13/426172513.db2.gz XHONGPRKODWEMX-RVZJCZPVSA-N 1 2 311.385 2.884 20 30 DFEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc2ccccc21 ZINC000078681749 426180842 /nfs/dbraw/zinc/18/08/42/426180842.db2.gz CAKJRPIYRNCBQT-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc2ccccc21 ZINC000078681749 426180846 /nfs/dbraw/zinc/18/08/46/426180846.db2.gz CAKJRPIYRNCBQT-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000078681749 426180849 /nfs/dbraw/zinc/18/08/49/426180849.db2.gz CAKJRPIYRNCBQT-UHFFFAOYSA-N 1 2 323.440 2.888 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326976 426187980 /nfs/dbraw/zinc/18/79/80/426187980.db2.gz FFQCVJSRSBPBAJ-CQSZACIVSA-N 1 2 310.850 2.732 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326976 426187983 /nfs/dbraw/zinc/18/79/83/426187983.db2.gz FFQCVJSRSBPBAJ-CQSZACIVSA-N 1 2 310.850 2.732 20 30 DFEDLO Cc1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000079217673 426190358 /nfs/dbraw/zinc/19/03/58/426190358.db2.gz XPQVYDTVUIPZIV-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Cl ZINC000172034504 426220940 /nfs/dbraw/zinc/22/09/40/426220940.db2.gz XVUJJPKURJZFRY-CQSZACIVSA-N 1 2 310.744 2.982 20 30 DFEDLO Cc1cc(NCc2cn(C)nc2C(F)(F)F)c(C#N)c(C)[nH+]1 ZINC000118982773 426253118 /nfs/dbraw/zinc/25/31/18/426253118.db2.gz BQWJPORFENDFFZ-UHFFFAOYSA-N 1 2 309.295 2.935 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc(C#N)c1 ZINC000174358253 426254444 /nfs/dbraw/zinc/25/44/44/426254444.db2.gz SWBFXHAFNTVEIL-KGLIPLIRSA-N 1 2 318.384 2.946 20 30 DFEDLO O=C(C#Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171109 426255234 /nfs/dbraw/zinc/25/52/34/426255234.db2.gz CYKMSMLPVDOFTB-UHFFFAOYSA-N 1 2 320.392 2.509 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000117337159 426212000 /nfs/dbraw/zinc/21/20/00/426212000.db2.gz NVVHYHZXZUXYRM-QGZVFWFLSA-N 1 2 315.392 2.865 20 30 DFEDLO N#Cc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000152001769 426321702 /nfs/dbraw/zinc/32/17/02/426321702.db2.gz CFLJASVDOSVQGB-QGZVFWFLSA-N 1 2 319.364 2.862 20 30 DFEDLO C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000152117016 426328020 /nfs/dbraw/zinc/32/80/20/426328020.db2.gz PFYNWEZZAHGRSJ-WMLDXEAASA-N 1 2 323.400 2.547 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000175108762 426279100 /nfs/dbraw/zinc/27/91/00/426279100.db2.gz NIXJPIPEPCEUAX-CQSZACIVSA-N 1 2 308.447 2.594 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000175989348 426344261 /nfs/dbraw/zinc/34/42/61/426344261.db2.gz VYADLLUAQHARMY-KRWDZBQOSA-N 1 2 320.396 2.823 20 30 DFEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000092754496 426350887 /nfs/dbraw/zinc/35/08/87/426350887.db2.gz CDORIRSYGVXFGI-UHFFFAOYSA-N 1 2 321.446 2.920 20 30 DFEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000092754496 426350890 /nfs/dbraw/zinc/35/08/90/426350890.db2.gz CDORIRSYGVXFGI-UHFFFAOYSA-N 1 2 321.446 2.920 20 30 DFEDLO COC(=O)C[N@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC000093287081 426354899 /nfs/dbraw/zinc/35/48/99/426354899.db2.gz FTLZRNMIKAIHME-UHFFFAOYSA-N 1 2 304.390 2.753 20 30 DFEDLO COC(=O)C[N@@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC000093287081 426354903 /nfs/dbraw/zinc/35/49/03/426354903.db2.gz FTLZRNMIKAIHME-UHFFFAOYSA-N 1 2 304.390 2.753 20 30 DFEDLO CCc1nnc(NCCCNc2cccc[nH+]2)c(C#N)c1CC ZINC000122146115 426360664 /nfs/dbraw/zinc/36/06/64/426360664.db2.gz UVRKMIJFSUCLEG-UHFFFAOYSA-N 1 2 310.405 2.782 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCc2csc(C3CC3)n2)cs1 ZINC000153115000 426371889 /nfs/dbraw/zinc/37/18/89/426371889.db2.gz DWEHJSDVKWIASL-UHFFFAOYSA-N 1 2 308.432 2.817 20 30 DFEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000123383740 426429474 /nfs/dbraw/zinc/42/94/74/426429474.db2.gz ORPQCBICFCTLBI-UHFFFAOYSA-N 1 2 306.341 2.697 20 30 DFEDLO N#CCSCCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000154394595 426439215 /nfs/dbraw/zinc/43/92/15/426439215.db2.gz JKIYCYUSXIKIEP-ZDUSSCGKSA-N 1 2 324.471 2.669 20 30 DFEDLO N#CCSCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000154394595 426439217 /nfs/dbraw/zinc/43/92/17/426439217.db2.gz JKIYCYUSXIKIEP-ZDUSSCGKSA-N 1 2 324.471 2.669 20 30 DFEDLO CCCS(=O)(=O)CC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000097153512 426454651 /nfs/dbraw/zinc/45/46/51/426454651.db2.gz PPLYIGUBBXYBNR-AWEZNQCLSA-N 1 2 308.447 2.766 20 30 DFEDLO CCCS(=O)(=O)CC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000097153512 426454654 /nfs/dbraw/zinc/45/46/54/426454654.db2.gz PPLYIGUBBXYBNR-AWEZNQCLSA-N 1 2 308.447 2.766 20 30 DFEDLO C#CC[N@H+](Cc1cn2cccnc2n1)[C@H]1CCc2ccccc21 ZINC000124154073 426471848 /nfs/dbraw/zinc/47/18/48/426471848.db2.gz CWFFEECGHKLNAZ-SFHVURJKSA-N 1 2 302.381 2.852 20 30 DFEDLO C#CC[N@@H+](Cc1cn2cccnc2n1)[C@H]1CCc2ccccc21 ZINC000124154073 426471851 /nfs/dbraw/zinc/47/18/51/426471851.db2.gz CWFFEECGHKLNAZ-SFHVURJKSA-N 1 2 302.381 2.852 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367759 426521283 /nfs/dbraw/zinc/52/12/83/426521283.db2.gz CCHIVRXSRVVMJN-CQSZACIVSA-N 1 2 305.447 2.871 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367759 426521286 /nfs/dbraw/zinc/52/12/86/426521286.db2.gz CCHIVRXSRVVMJN-CQSZACIVSA-N 1 2 305.447 2.871 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000264241823 426525328 /nfs/dbraw/zinc/52/53/28/426525328.db2.gz JNMNHYBQSKDYNZ-UHFFFAOYSA-N 1 2 311.389 2.669 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 ZINC000280250509 426528760 /nfs/dbraw/zinc/52/87/60/426528760.db2.gz BKFVJGMWARMQKO-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@]2(CCOC2)O1 ZINC000280250509 426528764 /nfs/dbraw/zinc/52/87/64/426528764.db2.gz BKFVJGMWARMQKO-WMLDXEAASA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000177548479 426494282 /nfs/dbraw/zinc/49/42/82/426494282.db2.gz AYNMIGGIOVLLEH-MLCBILRFSA-N 1 2 320.396 2.878 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177623674 426499271 /nfs/dbraw/zinc/49/92/71/426499271.db2.gz KLGOPRFNGITAAI-CYBMUJFWSA-N 1 2 307.825 2.756 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177623674 426499273 /nfs/dbraw/zinc/49/92/73/426499273.db2.gz KLGOPRFNGITAAI-CYBMUJFWSA-N 1 2 307.825 2.756 20 30 DFEDLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(OCC#N)cc1 ZINC000264964608 426579344 /nfs/dbraw/zinc/57/93/44/426579344.db2.gz GVTKUZHURQJOOZ-UHFFFAOYSA-N 1 2 306.316 2.813 20 30 DFEDLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(OCC#N)cc1 ZINC000264964608 426579345 /nfs/dbraw/zinc/57/93/45/426579345.db2.gz GVTKUZHURQJOOZ-UHFFFAOYSA-N 1 2 306.316 2.813 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000280564399 426602286 /nfs/dbraw/zinc/60/22/86/426602286.db2.gz KVMLIZBRSMATNG-UHFFFAOYSA-N 1 2 324.384 2.775 20 30 DFEDLO C=CC[NH+]1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000178308742 426603503 /nfs/dbraw/zinc/60/35/03/426603503.db2.gz UFLPYNOMEXRTHR-UHFFFAOYSA-N 1 2 312.772 2.565 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(C#N)cc3)n2)C1 ZINC000272565102 426560385 /nfs/dbraw/zinc/56/03/85/426560385.db2.gz CKPPMXJFPZAKQP-KXPUMZMLSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(/C=C/c3ccc(C#N)cc3)n2)C1 ZINC000272565102 426560391 /nfs/dbraw/zinc/56/03/91/426560391.db2.gz CKPPMXJFPZAKQP-KXPUMZMLSA-N 1 2 324.384 2.893 20 30 DFEDLO C=C1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000264491276 426563016 /nfs/dbraw/zinc/56/30/16/426563016.db2.gz SMRPKAXZNCWBRP-UHFFFAOYSA-N 1 2 316.430 2.583 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000280690786 426635102 /nfs/dbraw/zinc/63/51/02/426635102.db2.gz RNMHMOWTKPVEPL-ULQDDVLXSA-N 1 2 303.402 2.862 20 30 DFEDLO C[NH+](C)[C@@H](CNc1cccc(C#N)n1)c1c(F)cccc1F ZINC000265513716 426650345 /nfs/dbraw/zinc/65/03/45/426650345.db2.gz PZOPMJQJDIPJNG-AWEZNQCLSA-N 1 2 302.328 2.946 20 30 DFEDLO CCN(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000273565624 426685869 /nfs/dbraw/zinc/68/58/69/426685869.db2.gz ZISZSMMHCIUCEH-HNNXBMFYSA-N 1 2 314.433 2.699 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000178758238 426689203 /nfs/dbraw/zinc/68/92/03/426689203.db2.gz QPAHNHQHVPWFEU-INIZCTEOSA-N 1 2 320.396 2.508 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000245758419 426769883 /nfs/dbraw/zinc/76/98/83/426769883.db2.gz IABCMHVCCAKFKJ-CJNGLKHVSA-N 1 2 303.381 2.803 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000245758419 426769886 /nfs/dbraw/zinc/76/98/86/426769886.db2.gz IABCMHVCCAKFKJ-CJNGLKHVSA-N 1 2 303.381 2.803 20 30 DFEDLO C[C@H]1COCC[N@@H+]1CCSc1nc2c(cc1C#N)CCCC2 ZINC000188283071 426738738 /nfs/dbraw/zinc/73/87/38/426738738.db2.gz SBBIWYDRYUZMKN-ZDUSSCGKSA-N 1 2 317.458 2.645 20 30 DFEDLO C[C@H]1COCC[N@H+]1CCSc1nc2c(cc1C#N)CCCC2 ZINC000188283071 426738741 /nfs/dbraw/zinc/73/87/41/426738741.db2.gz SBBIWYDRYUZMKN-ZDUSSCGKSA-N 1 2 317.458 2.645 20 30 DFEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000274302375 426739439 /nfs/dbraw/zinc/73/94/39/426739439.db2.gz UAJNSMCROFUEIE-KRWDZBQOSA-N 1 2 313.376 2.958 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000274381974 426756731 /nfs/dbraw/zinc/75/67/31/426756731.db2.gz MXSBOZVAPWYFMS-OAHLLOKOSA-N 1 2 302.418 2.639 20 30 DFEDLO N#Cc1ccc(C2(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000188580037 426766138 /nfs/dbraw/zinc/76/61/38/426766138.db2.gz IQZYXYCMVHBLKW-UHFFFAOYSA-N 1 2 316.364 2.554 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000246332606 426822237 /nfs/dbraw/zinc/82/22/37/426822237.db2.gz KEGOLESWSBXHQK-BDJLRTHQSA-N 1 2 320.462 2.561 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000246332606 426822243 /nfs/dbraw/zinc/82/22/43/426822243.db2.gz KEGOLESWSBXHQK-BDJLRTHQSA-N 1 2 320.462 2.561 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246429348 426833699 /nfs/dbraw/zinc/83/36/99/426833699.db2.gz SSQAVXFAFCWCRK-APWZRJJASA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246429348 426833704 /nfs/dbraw/zinc/83/37/04/426833704.db2.gz SSQAVXFAFCWCRK-APWZRJJASA-N 1 2 324.428 2.834 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3cccc(Cl)c3)[C@H]2C1 ZINC000246442121 426835131 /nfs/dbraw/zinc/83/51/31/426835131.db2.gz ISTIOHSEAODTCR-SQNIBIBYSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3cccc(Cl)c3)[C@H]2C1 ZINC000246442121 426835137 /nfs/dbraw/zinc/83/51/37/426835137.db2.gz ISTIOHSEAODTCR-SQNIBIBYSA-N 1 2 319.832 2.960 20 30 DFEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000290769614 426835614 /nfs/dbraw/zinc/83/56/14/426835614.db2.gz LGVVUDASNLTFDW-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CCCN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1=O ZINC000189403002 426851328 /nfs/dbraw/zinc/85/13/28/426851328.db2.gz JUXMBRXROAWMMO-UHFFFAOYSA-N 1 2 304.821 2.636 20 30 DFEDLO CCCN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1=O ZINC000189403002 426851331 /nfs/dbraw/zinc/85/13/31/426851331.db2.gz 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/nfs/dbraw/zinc/90/40/00/426904000.db2.gz PLENBRJVZIIKTJ-GOSISDBHSA-N 1 2 315.417 2.690 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000189779048 426948224 /nfs/dbraw/zinc/94/82/24/426948224.db2.gz YKNLUFCWQGRAAB-SFHVURJKSA-N 1 2 317.433 2.527 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000283113994 426956645 /nfs/dbraw/zinc/95/66/45/426956645.db2.gz VULUYPAKSOGGKI-DOMZBBRYSA-N 1 2 312.373 2.562 20 30 DFEDLO C[C@@H]1CCN(c2snc(Cl)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268233144 426959706 /nfs/dbraw/zinc/95/97/06/426959706.db2.gz FXZPNTXGXGNFRH-MWLCHTKSSA-N 1 2 307.810 2.952 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCc2occc21 ZINC000328619860 426981364 /nfs/dbraw/zinc/98/13/64/426981364.db2.gz WJDJEXNZKMNDMD-GXTWGEPZSA-N 1 2 314.389 2.935 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276105912 426984052 /nfs/dbraw/zinc/98/40/52/426984052.db2.gz JTXBWTRTSGCKLM-SFHVURJKSA-N 1 2 302.418 2.639 20 30 DFEDLO CCc1nnc(NCc2cn3c([nH+]2)CCCC3)c(C#N)c1CC ZINC000268154335 426930918 /nfs/dbraw/zinc/93/09/18/426930918.db2.gz LSAQWCIHTXUPBL-UHFFFAOYSA-N 1 2 310.405 2.618 20 30 DFEDLO [O-]C(NCC1CCC(F)(F)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328852043 427003872 /nfs/dbraw/zinc/00/38/72/427003872.db2.gz WVUNUJVGWMIOKL-GFCCVEGCSA-N 1 2 312.364 2.527 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCC(F)(F)CC1 ZINC000328852043 427003877 /nfs/dbraw/zinc/00/38/77/427003877.db2.gz WVUNUJVGWMIOKL-GFCCVEGCSA-N 1 2 312.364 2.527 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328905324 427010700 /nfs/dbraw/zinc/01/07/00/427010700.db2.gz ARJNRLPSJMKWEO-YCPHGPKFSA-N 1 2 305.422 2.997 20 30 DFEDLO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328951729 427016912 /nfs/dbraw/zinc/01/69/12/427016912.db2.gz NQKLDLKCRAOIKB-IMJJTQAJSA-N 1 2 313.405 2.782 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328983018 427020841 /nfs/dbraw/zinc/02/08/41/427020841.db2.gz YTRAMSGVCBAPRN-UHYGZKCKSA-N 1 2 323.396 2.964 20 30 DFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328983018 427020849 /nfs/dbraw/zinc/02/08/49/427020849.db2.gz YTRAMSGVCBAPRN-UHYGZKCKSA-N 1 2 323.396 2.964 20 30 DFEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329021430 427027153 /nfs/dbraw/zinc/02/71/53/427027153.db2.gz MEFZUDVZERBHHC-MJBXVCDLSA-N 1 2 305.422 2.996 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291923038 427028416 /nfs/dbraw/zinc/02/84/16/427028416.db2.gz SJQQNOCDFAAWKW-LBPRGKRZSA-N 1 2 300.736 2.661 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291923038 427028425 /nfs/dbraw/zinc/02/84/25/427028425.db2.gz SJQQNOCDFAAWKW-LBPRGKRZSA-N 1 2 300.736 2.661 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C1CCOCC1 ZINC000329060185 427034865 /nfs/dbraw/zinc/03/48/65/427034865.db2.gz NHUZCHMPXVHXBR-VHDGCEQUSA-N 1 2 321.421 2.895 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)C1CCOCC1 ZINC000329099190 427042109 /nfs/dbraw/zinc/04/21/09/427042109.db2.gz YZOSTDMFVOPWJE-VHDGCEQUSA-N 1 2 321.421 2.752 20 30 DFEDLO CCc1ccnc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000329265731 427076585 /nfs/dbraw/zinc/07/65/85/427076585.db2.gz CLHWWTLIBZUHSU-QGZVFWFLSA-N 1 2 317.433 2.744 20 30 DFEDLO CCc1ccnc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000329265731 427076588 /nfs/dbraw/zinc/07/65/88/427076588.db2.gz CLHWWTLIBZUHSU-QGZVFWFLSA-N 1 2 317.433 2.744 20 30 DFEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329272481 427078094 /nfs/dbraw/zinc/07/80/94/427078094.db2.gz AEESLXPOJXWVKD-LBPRGKRZSA-N 1 2 324.450 2.895 20 30 DFEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329272481 427078104 /nfs/dbraw/zinc/07/81/04/427078104.db2.gz AEESLXPOJXWVKD-LBPRGKRZSA-N 1 2 324.450 2.895 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccnc3Cl)C2)nc1 ZINC000292120041 427098460 /nfs/dbraw/zinc/09/84/60/427098460.db2.gz 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/nfs/dbraw/zinc/11/54/80/427115480.db2.gz LAZGDPCWZLEDQJ-UHFFFAOYSA-N 1 2 304.390 2.704 20 30 DFEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329446217 427115490 /nfs/dbraw/zinc/11/54/90/427115490.db2.gz LAZGDPCWZLEDQJ-UHFFFAOYSA-N 1 2 304.390 2.704 20 30 DFEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329480649 427126621 /nfs/dbraw/zinc/12/66/21/427126621.db2.gz DAYXKIMKHWCNSW-BRWVUGGUSA-N 1 2 324.465 2.505 20 30 DFEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329480649 427126625 /nfs/dbraw/zinc/12/66/25/427126625.db2.gz DAYXKIMKHWCNSW-BRWVUGGUSA-N 1 2 324.465 2.505 20 30 DFEDLO NC(COc1ccccc1)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000268599492 427064043 /nfs/dbraw/zinc/06/40/43/427064043.db2.gz OQOKSQUAMRWEBO-UHFFFAOYSA-N 1 2 314.389 2.866 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[C@@H]1CCCCO1)CCC2 ZINC000329529991 427134532 /nfs/dbraw/zinc/13/45/32/427134532.db2.gz VLKMUIODCQKIQK-GJZGRUSLSA-N 1 2 320.437 2.532 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292221264 427138523 /nfs/dbraw/zinc/13/85/23/427138523.db2.gz JZIJHEWOIYPUHF-UHFFFAOYSA-N 1 2 311.429 2.805 20 30 DFEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCCc2ccccc21 ZINC000329640922 427154465 /nfs/dbraw/zinc/15/44/65/427154465.db2.gz ZZZNSKRBEKCACY-UKRRQHHQSA-N 1 2 310.401 2.848 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCOCC4(CCC4)C3)o2)c1 ZINC000329779238 427169679 /nfs/dbraw/zinc/16/96/79/427169679.db2.gz LTRWMWMQMZOLDI-UHFFFAOYSA-N 1 2 324.384 2.611 20 30 DFEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCOCC4(CCC4)C3)o2)c1 ZINC000329779238 427169691 /nfs/dbraw/zinc/16/96/91/427169691.db2.gz LTRWMWMQMZOLDI-UHFFFAOYSA-N 1 2 324.384 2.611 20 30 DFEDLO CC(C)Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000183026714 427184952 /nfs/dbraw/zinc/18/49/52/427184952.db2.gz SYOVUWLOJHWFPP-UHFFFAOYSA-N 1 2 323.444 2.733 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000277527540 427232271 /nfs/dbraw/zinc/23/22/71/427232271.db2.gz ABGWVRCDONIUJJ-BBRMVZONSA-N 1 2 317.433 2.933 20 30 DFEDLO COc1cc(/C=C\C(=O)Nc2cc[nH+]cc2C)ccc1OCC#N ZINC000255063399 427236632 /nfs/dbraw/zinc/23/66/32/427236632.db2.gz NXMWJNOKJKFZAL-XQRVVYSFSA-N 1 2 323.352 2.953 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285464774 427239842 /nfs/dbraw/zinc/23/98/42/427239842.db2.gz HBTNIJGHTGNMAK-CQSZACIVSA-N 1 2 316.298 2.977 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285464774 427239846 /nfs/dbraw/zinc/23/98/46/427239846.db2.gz HBTNIJGHTGNMAK-CQSZACIVSA-N 1 2 316.298 2.977 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471554 427248844 /nfs/dbraw/zinc/24/88/44/427248844.db2.gz OENODDSQJMHOQW-RISCZKNCSA-N 1 2 317.355 2.624 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000330471554 427248849 /nfs/dbraw/zinc/24/88/49/427248849.db2.gz OENODDSQJMHOQW-RISCZKNCSA-N 1 2 317.355 2.624 20 30 DFEDLO 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ZINC000293350402 427295973 /nfs/dbraw/zinc/29/59/73/427295973.db2.gz ZFVYDDAEEYKJMR-IAGOWNOFSA-N 1 2 316.401 2.519 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338585964 427398213 /nfs/dbraw/zinc/39/82/13/427398213.db2.gz AVRGECYNYPYRMI-GOSISDBHSA-N 1 2 320.383 2.897 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338585964 427398216 /nfs/dbraw/zinc/39/82/16/427398216.db2.gz AVRGECYNYPYRMI-GOSISDBHSA-N 1 2 320.383 2.897 20 30 DFEDLO CCc1nnc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)[nH]1 ZINC000191690680 427406317 /nfs/dbraw/zinc/40/63/17/427406317.db2.gz CNDPAZRFYMBMAG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000191690680 427406321 /nfs/dbraw/zinc/40/63/21/427406321.db2.gz CNDPAZRFYMBMAG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n[nH]1 ZINC000191690680 427406326 /nfs/dbraw/zinc/40/63/26/427406326.db2.gz CNDPAZRFYMBMAG-UHFFFAOYSA-N 1 2 313.380 2.757 20 30 DFEDLO 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/nfs/dbraw/zinc/44/10/49/427441049.db2.gz LKQAXNQVIKLMII-UHFFFAOYSA-N 1 2 309.207 2.955 20 30 DFEDLO Cc1cnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000271545910 427581689 /nfs/dbraw/zinc/58/16/89/427581689.db2.gz QBKXOABDZLNIPV-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202887 427596916 /nfs/dbraw/zinc/59/69/16/427596916.db2.gz AYWFCVIKAZVXDF-PXAZEXFGSA-N 1 2 319.405 2.596 20 30 DFEDLO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202887 427596922 /nfs/dbraw/zinc/59/69/22/427596922.db2.gz AYWFCVIKAZVXDF-PXAZEXFGSA-N 1 2 319.405 2.596 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298511042 427635646 /nfs/dbraw/zinc/63/56/46/427635646.db2.gz KOLYOPSOYCQOPD-MRXNPFEDSA-N 1 2 324.428 2.926 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298511042 427635654 /nfs/dbraw/zinc/63/56/54/427635654.db2.gz KOLYOPSOYCQOPD-MRXNPFEDSA-N 1 2 324.428 2.926 20 30 DFEDLO Cc1cc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c(C#N)c[nH+]1 ZINC000333516685 427641208 /nfs/dbraw/zinc/64/12/08/427641208.db2.gz VIMSNYLCKFDIDR-ZDUSSCGKSA-N 1 2 309.373 2.906 20 30 DFEDLO C=CC[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279340765 427645975 /nfs/dbraw/zinc/64/59/75/427645975.db2.gz QAWGZCLTPLEINU-FUHWJXTLSA-N 1 2 316.445 2.525 20 30 DFEDLO C=C[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279431158 427671336 /nfs/dbraw/zinc/67/13/36/427671336.db2.gz YZWCPPGCRKRNPI-IAGOWNOFSA-N 1 2 316.445 2.525 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)s1 ZINC000333700788 427676972 /nfs/dbraw/zinc/67/69/72/427676972.db2.gz KKXWXSZIGPRDAR-ZYHUDNBSSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)s1 ZINC000333700788 427676978 /nfs/dbraw/zinc/67/69/78/427676978.db2.gz KKXWXSZIGPRDAR-ZYHUDNBSSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000339115780 427682262 /nfs/dbraw/zinc/68/22/62/427682262.db2.gz 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/nfs/dbraw/zinc/71/43/75/427714375.db2.gz HLGHKXBWXIBZLY-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000193796966 427715467 /nfs/dbraw/zinc/71/54/67/427715467.db2.gz HWBBYISHEIQTJB-KRWDZBQOSA-N 1 2 316.401 2.583 20 30 DFEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000193796966 427715470 /nfs/dbraw/zinc/71/54/70/427715470.db2.gz HWBBYISHEIQTJB-KRWDZBQOSA-N 1 2 316.401 2.583 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)OCC ZINC000339363782 427759958 /nfs/dbraw/zinc/75/99/58/427759958.db2.gz QAUMUZHRBJVYMB-MRXNPFEDSA-N 1 2 319.449 2.800 20 30 DFEDLO N#Cc1nc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1Cl ZINC000301163401 427778863 /nfs/dbraw/zinc/77/88/63/427778863.db2.gz HAMZLSLAQBUOCE-UHFFFAOYSA-N 1 2 310.748 2.799 20 30 DFEDLO Cc1c[nH+]ccc1CCNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000337018912 427789423 /nfs/dbraw/zinc/78/94/23/427789423.db2.gz OYHLWGYGIKKMGZ-UHFFFAOYSA-N 1 2 306.291 3.330 20 30 DFEDLO CN(C)C(=O)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000194184043 427734440 /nfs/dbraw/zinc/73/44/40/427734440.db2.gz LFTFQTNFEVKQJB-QGZVFWFLSA-N 1 2 311.360 2.616 20 30 DFEDLO COc1ccc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)cc1 ZINC000301689498 427816276 /nfs/dbraw/zinc/81/62/76/427816276.db2.gz VZDQXNRNHXCIJN-UHFFFAOYSA-N 1 2 322.412 2.905 20 30 DFEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(C#N)cc3F)CC2)S1 ZINC000301738899 427819785 /nfs/dbraw/zinc/81/97/85/427819785.db2.gz JGIZWTSEALUKLW-UHFFFAOYSA-N 1 2 318.421 2.701 20 30 DFEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CCN1CC(F)F ZINC000301904712 427836949 /nfs/dbraw/zinc/83/69/49/427836949.db2.gz YFZVROWOWJURST-CYBMUJFWSA-N 1 2 308.376 2.736 20 30 DFEDLO C=C(C)[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000355779557 427889706 /nfs/dbraw/zinc/88/97/06/427889706.db2.gz ZXOZZOUTOZPHFQ-INIZCTEOSA-N 1 2 305.328 2.985 20 30 DFEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359529875 427892167 /nfs/dbraw/zinc/89/21/67/427892167.db2.gz 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ZINC000345808331 427915722 /nfs/dbraw/zinc/91/57/22/427915722.db2.gz MILBXFKJAJHLIU-YESZJQIVSA-N 1 2 318.392 2.713 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000345808331 427915726 /nfs/dbraw/zinc/91/57/26/427915726.db2.gz MILBXFKJAJHLIU-YESZJQIVSA-N 1 2 318.392 2.713 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000345834615 427924250 /nfs/dbraw/zinc/92/42/50/427924250.db2.gz LEJKJWRQUQGLEJ-UAGQMJEPSA-N 1 2 320.820 2.573 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000345834615 427924256 /nfs/dbraw/zinc/92/42/56/427924256.db2.gz LEJKJWRQUQGLEJ-UAGQMJEPSA-N 1 2 320.820 2.573 20 30 DFEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccccc1 ZINC000337582999 427969236 /nfs/dbraw/zinc/96/92/36/427969236.db2.gz JRXKNSHPUQHLSI-LPHOPBHVSA-N 1 2 321.424 2.914 20 30 DFEDLO Cn1ncc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1C#N ZINC000355992611 427974272 /nfs/dbraw/zinc/97/42/72/427974272.db2.gz UZQPRFLYNYREOC-UHFFFAOYSA-N 1 2 319.324 2.731 20 30 DFEDLO CC#CCN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000341040840 427975426 /nfs/dbraw/zinc/97/54/26/427975426.db2.gz JSBQAUZYLWXUCF-UHFFFAOYSA-N 1 2 321.424 2.708 20 30 DFEDLO CC#CCN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000341040840 427975433 /nfs/dbraw/zinc/97/54/33/427975433.db2.gz JSBQAUZYLWXUCF-UHFFFAOYSA-N 1 2 321.424 2.708 20 30 DFEDLO C#CC[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000369505688 427982060 /nfs/dbraw/zinc/98/20/60/427982060.db2.gz ZMLQZHUWRLFUMF-HUUCEWRRSA-N 1 2 314.433 2.520 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413220771 427992078 /nfs/dbraw/zinc/99/20/78/427992078.db2.gz HLVGIZGUBGBGKZ-SOUVJXGZSA-N 1 2 304.438 2.840 20 30 DFEDLO C=CCCC[C@H](C)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413220771 427992081 /nfs/dbraw/zinc/99/20/81/427992081.db2.gz HLVGIZGUBGBGKZ-SOUVJXGZSA-N 1 2 304.438 2.840 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000350461988 427940985 /nfs/dbraw/zinc/94/09/85/427940985.db2.gz PEYGWHAKZYJBSR-IINYFYTJSA-N 1 2 319.771 2.842 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000337524795 427941726 /nfs/dbraw/zinc/94/17/26/427941726.db2.gz FVAXQMXXRICIKE-HNNXBMFYSA-N 1 2 324.428 2.548 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000337524795 427941732 /nfs/dbraw/zinc/94/17/32/427941732.db2.gz FVAXQMXXRICIKE-HNNXBMFYSA-N 1 2 324.428 2.548 20 30 DFEDLO CCCCCCCC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000369646292 428026700 /nfs/dbraw/zinc/02/67/00/428026700.db2.gz GRRWQRMPEMDCHH-HNNXBMFYSA-N 1 2 306.454 2.596 20 30 DFEDLO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000369716130 428043657 /nfs/dbraw/zinc/04/36/57/428043657.db2.gz ZXBWJKCIDZHOBT-YOEHRIQHSA-N 1 2 308.385 2.787 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nncn1C ZINC000356187957 428059344 /nfs/dbraw/zinc/05/93/44/428059344.db2.gz MVHCRRUEXXVOBJ-VIFPVBQESA-N 1 2 309.295 2.556 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1ccc(C#N)cc1C(F)(F)F)C2 ZINC000369560817 428001581 /nfs/dbraw/zinc/00/15/81/428001581.db2.gz JGGKXUOTWXYEFW-UHFFFAOYSA-N 1 2 306.291 2.873 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(SC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000356057770 428002001 /nfs/dbraw/zinc/00/20/01/428002001.db2.gz FHIFQFXOUISHPX-LLVKDONJSA-N 1 2 317.501 2.645 20 30 DFEDLO C=CC[N@H+](Cc1ccc(SC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000356057770 428002006 /nfs/dbraw/zinc/00/20/06/428002006.db2.gz FHIFQFXOUISHPX-LLVKDONJSA-N 1 2 317.501 2.645 20 30 DFEDLO COC(=O)COc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000341197566 428009125 /nfs/dbraw/zinc/00/91/25/428009125.db2.gz XCXLAZKMNNYTMS-UHFFFAOYSA-N 1 2 302.374 2.507 20 30 DFEDLO COC(=O)COc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000341197566 428009128 /nfs/dbraw/zinc/00/91/28/428009128.db2.gz XCXLAZKMNNYTMS-UHFFFAOYSA-N 1 2 302.374 2.507 20 30 DFEDLO C=C(CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1)c1ccccc1 ZINC000413297009 428014859 /nfs/dbraw/zinc/01/48/59/428014859.db2.gz ISOFJWPXMMUPCW-WBVHZDCISA-N 1 2 324.428 2.809 20 30 DFEDLO C=C(CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1)c1ccccc1 ZINC000413297009 428014863 /nfs/dbraw/zinc/01/48/63/428014863.db2.gz ISOFJWPXMMUPCW-WBVHZDCISA-N 1 2 324.428 2.809 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)n1 ZINC000356291856 428108567 /nfs/dbraw/zinc/10/85/67/428108567.db2.gz CZHHMGSFSQALGL-KRWDZBQOSA-N 1 2 313.426 2.541 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)n1 ZINC000356291856 428108572 /nfs/dbraw/zinc/10/85/72/428108572.db2.gz CZHHMGSFSQALGL-KRWDZBQOSA-N 1 2 313.426 2.541 20 30 DFEDLO C=CCc1cc(CNc2ccc(CO)c[nH+]2)cc(OC)c1O ZINC000356345782 428136808 /nfs/dbraw/zinc/13/68/08/428136808.db2.gz TWONFBLSHHYXBK-UHFFFAOYSA-N 1 2 300.358 2.629 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1C ZINC000370204313 428156582 /nfs/dbraw/zinc/15/65/82/428156582.db2.gz OWEHZZCPIIBXPD-SJLPKXTDSA-N 1 2 302.418 2.727 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]3OCC[C@H]32)c1C ZINC000370204313 428156587 /nfs/dbraw/zinc/15/65/87/428156587.db2.gz OWEHZZCPIIBXPD-SJLPKXTDSA-N 1 2 302.418 2.727 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C)c(C#N)c1)CCC2 ZINC000370240409 428165478 /nfs/dbraw/zinc/16/54/78/428165478.db2.gz HFVRSOWTVQFTEB-OAHLLOKOSA-N 1 2 308.385 2.679 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000356438514 428179789 /nfs/dbraw/zinc/17/97/89/428179789.db2.gz WMVGXCMVDRXCCB-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000356438514 428179795 /nfs/dbraw/zinc/17/97/95/428179795.db2.gz WMVGXCMVDRXCCB-UHFFFAOYSA-N 1 2 314.820 2.680 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCCC[C@@H]3c3cc[nH]n3)n2c1 ZINC000377633866 428180262 /nfs/dbraw/zinc/18/02/62/428180262.db2.gz YEZOEHIZMDHPAY-MRXNPFEDSA-N 1 2 306.373 2.656 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356442488 428181137 /nfs/dbraw/zinc/18/11/37/428181137.db2.gz UKRCADAIULUOJN-GFCCVEGCSA-N 1 2 318.471 2.955 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356442490 428181228 /nfs/dbraw/zinc/18/12/28/428181228.db2.gz UKRCADAIULUOJN-LBPRGKRZSA-N 1 2 318.471 2.955 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C2CC2)cc1Cl ZINC000414125111 428211168 /nfs/dbraw/zinc/21/11/68/428211168.db2.gz MCIMEHZSTOITPI-AWEZNQCLSA-N 1 2 308.809 2.803 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C2CC2)cc1Cl ZINC000414125111 428211173 /nfs/dbraw/zinc/21/11/73/428211173.db2.gz MCIMEHZSTOITPI-AWEZNQCLSA-N 1 2 308.809 2.803 20 30 DFEDLO CCC(C)(C)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414162964 428222166 /nfs/dbraw/zinc/22/21/66/428222166.db2.gz MOLRRPMYHUCZHJ-INIZCTEOSA-N 1 2 304.434 2.959 20 30 DFEDLO CCC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414162964 428222172 /nfs/dbraw/zinc/22/21/72/428222172.db2.gz MOLRRPMYHUCZHJ-INIZCTEOSA-N 1 2 304.434 2.959 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488435 428223458 /nfs/dbraw/zinc/22/34/58/428223458.db2.gz PFVRCYXACJTKNZ-DLBZAZTESA-N 1 2 315.392 2.964 20 30 DFEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000370488435 428223463 /nfs/dbraw/zinc/22/34/63/428223463.db2.gz PFVRCYXACJTKNZ-DLBZAZTESA-N 1 2 315.392 2.964 20 30 DFEDLO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3nc(C#N)cs3)cn2)n1 ZINC000352825999 428265109 /nfs/dbraw/zinc/26/51/09/428265109.db2.gz VFXKWQUNTKBNKF-UHFFFAOYSA-N 1 2 324.413 2.502 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000370697596 428278574 /nfs/dbraw/zinc/27/85/74/428278574.db2.gz GUAYMRAESIXJMI-KRWDZBQOSA-N 1 2 320.396 2.901 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000370697596 428278577 /nfs/dbraw/zinc/27/85/77/428278577.db2.gz GUAYMRAESIXJMI-KRWDZBQOSA-N 1 2 320.396 2.901 20 30 DFEDLO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1nnc2ccccn21 ZINC000352857909 428280729 /nfs/dbraw/zinc/28/07/29/428280729.db2.gz ZWQLMWLPMGQDNS-AWEZNQCLSA-N 1 2 312.402 2.544 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000346995671 428400481 /nfs/dbraw/zinc/40/04/81/428400481.db2.gz CEWUBBQBCRZJGE-UHFFFAOYSA-N 1 2 320.352 2.635 20 30 DFEDLO Cc1noc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000356919064 428361556 /nfs/dbraw/zinc/36/15/56/428361556.db2.gz NZXVSUJXFDEDCW-LBPRGKRZSA-N 1 2 300.362 2.911 20 30 DFEDLO COc1cccc(C(F)(F)C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000353100373 428384073 /nfs/dbraw/zinc/38/40/73/428384073.db2.gz LQUDJKCLFNZWBY-UHFFFAOYSA-N 1 2 303.312 2.843 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1C ZINC000346958810 428385157 /nfs/dbraw/zinc/38/51/57/428385157.db2.gz BYQDKRVDECXGNQ-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1C ZINC000346958810 428385161 /nfs/dbraw/zinc/38/51/61/428385161.db2.gz BYQDKRVDECXGNQ-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353217899 428436950 /nfs/dbraw/zinc/43/69/50/428436950.db2.gz IFOUNUASWWIDCZ-SNVBAGLBSA-N 1 2 316.311 2.521 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000372124425 428417655 /nfs/dbraw/zinc/41/76/55/428417655.db2.gz NTLCFTHOTBIECE-IBGZPJMESA-N 1 2 317.429 2.715 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000372124425 428417661 /nfs/dbraw/zinc/41/76/61/428417661.db2.gz NTLCFTHOTBIECE-IBGZPJMESA-N 1 2 317.429 2.715 20 30 DFEDLO C[C@H]1CC=CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342574120 428432720 /nfs/dbraw/zinc/43/27/20/428432720.db2.gz HZQXBOBJSZHSIR-QFBILLFUSA-N 1 2 323.440 2.805 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000360959398 428510197 /nfs/dbraw/zinc/51/01/97/428510197.db2.gz FOQZFMLHYSCKBR-YJBOKZPZSA-N 1 2 305.385 2.732 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000360959398 428510205 /nfs/dbraw/zinc/51/02/05/428510205.db2.gz FOQZFMLHYSCKBR-YJBOKZPZSA-N 1 2 305.385 2.732 20 30 DFEDLO C=CCC1(c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000347248400 428513034 /nfs/dbraw/zinc/51/30/34/428513034.db2.gz LTHRAKMEEKFCSJ-UONOGXRCSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCC1(c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000347248400 428513040 /nfs/dbraw/zinc/51/30/40/428513040.db2.gz LTHRAKMEEKFCSJ-UONOGXRCSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000357568274 428549342 /nfs/dbraw/zinc/54/93/42/428549342.db2.gz KDOVEIYHZUDJCN-UHFFFAOYSA-N 1 2 310.401 2.791 20 30 DFEDLO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704475 428555998 /nfs/dbraw/zinc/55/59/98/428555998.db2.gz PUGWLCMOBMDOAQ-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704475 428556001 /nfs/dbraw/zinc/55/60/01/428556001.db2.gz PUGWLCMOBMDOAQ-IINYFYTJSA-N 1 2 309.207 2.523 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000343716297 428566448 /nfs/dbraw/zinc/56/64/48/428566448.db2.gz CMOJCYYEHSNLCR-IBGZPJMESA-N 1 2 311.429 2.805 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1cccc(C#N)n1)CCCC2 ZINC000408030065 428594654 /nfs/dbraw/zinc/59/46/54/428594654.db2.gz FHOWZDWMENTAPT-INIZCTEOSA-N 1 2 307.401 2.907 20 30 DFEDLO CCc1cnc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)s1 ZINC000353572105 428598829 /nfs/dbraw/zinc/59/88/29/428598829.db2.gz SLKAEGHYAPIVDM-UHFFFAOYSA-N 1 2 318.471 2.961 20 30 DFEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC1(C#N)CC1 ZINC000361931158 428604392 /nfs/dbraw/zinc/60/43/92/428604392.db2.gz UEUHEIMHENOLSH-LJQANCHMSA-N 1 2 312.413 2.931 20 30 DFEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CC1 ZINC000361931158 428604398 /nfs/dbraw/zinc/60/43/98/428604398.db2.gz UEUHEIMHENOLSH-LJQANCHMSA-N 1 2 312.413 2.931 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000347694017 428622344 /nfs/dbraw/zinc/62/23/44/428622344.db2.gz SESJEIMFBCCVDB-MWLCHTKSSA-N 1 2 318.377 2.656 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000362100689 428622977 /nfs/dbraw/zinc/62/29/77/428622977.db2.gz 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428675474 /nfs/dbraw/zinc/67/54/74/428675474.db2.gz MQKZUPUFTRULNB-CQSZACIVSA-N 1 2 311.385 2.615 20 30 DFEDLO CC[N@H+](CC(=O)NCC1(C#N)CCC1)Cc1ccccc1Cl ZINC000416344897 428721369 /nfs/dbraw/zinc/72/13/69/428721369.db2.gz FHXFKMAMFJSHQN-UHFFFAOYSA-N 1 2 319.836 2.972 20 30 DFEDLO CC[N@@H+](CC(=O)NCC1(C#N)CCC1)Cc1ccccc1Cl ZINC000416344897 428721373 /nfs/dbraw/zinc/72/13/73/428721373.db2.gz FHXFKMAMFJSHQN-UHFFFAOYSA-N 1 2 319.836 2.972 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802081 428723462 /nfs/dbraw/zinc/72/34/62/428723462.db2.gz HJQOXKIEDVFEKW-ZCCHDVMBSA-N 1 2 320.458 2.710 20 30 DFEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353802081 428723468 /nfs/dbraw/zinc/72/34/68/428723468.db2.gz HJQOXKIEDVFEKW-ZCCHDVMBSA-N 1 2 320.458 2.710 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000362378774 428725954 /nfs/dbraw/zinc/72/59/54/428725954.db2.gz GVOICNYBYOBPJC-STQMWFEESA-N 1 2 323.387 2.803 20 30 DFEDLO 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C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 ZINC000349302145 428959032 /nfs/dbraw/zinc/95/90/32/428959032.db2.gz SUSNFYAYXHURKI-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 ZINC000349302145 428959034 /nfs/dbraw/zinc/95/90/34/428959034.db2.gz SUSNFYAYXHURKI-UHFFFAOYSA-N 1 2 322.412 2.646 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc(Cl)c(C)c1C#N)CCC2 ZINC000363683430 428967538 /nfs/dbraw/zinc/96/75/38/428967538.db2.gz YLBBYCZAXGZUCT-GFCCVEGCSA-N 1 2 315.808 3.410 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354896554 429017241 /nfs/dbraw/zinc/01/72/41/429017241.db2.gz LOQYJRHIHMWAAJ-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354896554 429017246 /nfs/dbraw/zinc/01/72/46/429017246.db2.gz LOQYJRHIHMWAAJ-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354897072 429018003 /nfs/dbraw/zinc/01/80/03/429018003.db2.gz 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ZINC000354368353 428978994 /nfs/dbraw/zinc/97/89/94/428978994.db2.gz VKXGWAGUWQYLKF-KRWDZBQOSA-N 1 2 318.417 2.691 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)c1 ZINC000354368353 428979000 /nfs/dbraw/zinc/97/90/00/428979000.db2.gz VKXGWAGUWQYLKF-KRWDZBQOSA-N 1 2 318.417 2.691 20 30 DFEDLO N#CCN(C(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000354467844 428986847 /nfs/dbraw/zinc/98/68/47/428986847.db2.gz XGEBVUDTBPVTKD-UHFFFAOYSA-N 1 2 308.385 2.818 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N(CC#N)C1CC1 ZINC000354464099 428989444 /nfs/dbraw/zinc/98/94/44/428989444.db2.gz RPAYCNUCYDLIOO-UHFFFAOYSA-N 1 2 310.401 2.893 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843138 428994548 /nfs/dbraw/zinc/99/45/48/428994548.db2.gz ROPHVZJCRUQOOO-SJORKVTESA-N 1 2 313.401 2.615 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843138 428994554 /nfs/dbraw/zinc/99/45/54/428994554.db2.gz ROPHVZJCRUQOOO-SJORKVTESA-N 1 2 313.401 2.615 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846775 428997269 /nfs/dbraw/zinc/99/72/69/428997269.db2.gz WZLKBXJWZSJRLE-DLBZAZTESA-N 1 2 315.417 2.861 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846775 428997274 /nfs/dbraw/zinc/99/72/74/428997274.db2.gz WZLKBXJWZSJRLE-DLBZAZTESA-N 1 2 315.417 2.861 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000354560684 428997567 /nfs/dbraw/zinc/99/75/67/428997567.db2.gz CUGMCRIGNLBINN-UHFFFAOYSA-N 1 2 322.412 2.879 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000354573567 428999143 /nfs/dbraw/zinc/99/91/43/428999143.db2.gz RONFJIDSEWOOPU-INIZCTEOSA-N 1 2 322.412 2.851 20 30 DFEDLO Cc1cc(CNC(=O)[C@H](C)Oc2ccccc2C#N)cc(C)[nH+]1 ZINC000421561504 429001850 /nfs/dbraw/zinc/00/18/50/429001850.db2.gz STRAPIJSKCQXTF-AWEZNQCLSA-N 1 2 309.369 2.654 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000424063251 429086174 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CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000439458400 429219402 /nfs/dbraw/zinc/21/94/02/429219402.db2.gz TWCMJLLMBGKFJG-DJIMGWMZSA-N 1 2 320.820 2.980 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000439458400 429219408 /nfs/dbraw/zinc/21/94/08/429219408.db2.gz TWCMJLLMBGKFJG-DJIMGWMZSA-N 1 2 320.820 2.980 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000455959418 429226624 /nfs/dbraw/zinc/22/66/24/429226624.db2.gz UTKBJXADWHHLGZ-OAHLLOKOSA-N 1 2 321.384 2.662 20 30 DFEDLO CC(C)C[N@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000440699919 429228435 /nfs/dbraw/zinc/22/84/35/429228435.db2.gz DMBSSKXKYWWOTD-UHFFFAOYSA-N 1 2 315.396 2.777 20 30 DFEDLO CC(C)C[N@@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000440699919 429228437 /nfs/dbraw/zinc/22/84/37/429228437.db2.gz DMBSSKXKYWWOTD-UHFFFAOYSA-N 1 2 315.396 2.777 20 30 DFEDLO COc1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)ccc1C#N ZINC000442844136 429239264 /nfs/dbraw/zinc/23/92/64/429239264.db2.gz VDUGFFOGFBMFNP-UHFFFAOYSA-N 1 2 320.352 2.907 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000489426937 429241130 /nfs/dbraw/zinc/24/11/30/429241130.db2.gz NJIZPEKKZBOZFW-LBPRGKRZSA-N 1 2 324.222 2.823 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000489426937 429241133 /nfs/dbraw/zinc/24/11/33/429241133.db2.gz NJIZPEKKZBOZFW-LBPRGKRZSA-N 1 2 324.222 2.823 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489442498 429242667 /nfs/dbraw/zinc/24/26/67/429242667.db2.gz TYWRKLABIAPASE-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000489442498 429242670 /nfs/dbraw/zinc/24/26/70/429242670.db2.gz TYWRKLABIAPASE-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccccc1OC ZINC000489505777 429248335 /nfs/dbraw/zinc/24/83/35/429248335.db2.gz FMDMUVUFMRGIAL-HNNXBMFYSA-N 1 2 323.458 2.900 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccccc1OC ZINC000489505777 429248339 /nfs/dbraw/zinc/24/83/39/429248339.db2.gz FMDMUVUFMRGIAL-HNNXBMFYSA-N 1 2 323.458 2.900 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000425339279 429269978 /nfs/dbraw/zinc/26/99/78/429269978.db2.gz ROOMFPSQMJGXGQ-ZWKOTPCHSA-N 1 2 323.444 2.758 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000425339279 429269979 /nfs/dbraw/zinc/26/99/79/429269979.db2.gz ROOMFPSQMJGXGQ-ZWKOTPCHSA-N 1 2 323.444 2.758 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444707095 429274907 /nfs/dbraw/zinc/27/49/07/429274907.db2.gz OHFSBCWZQNBXDB-LLVKDONJSA-N 1 2 311.788 2.671 20 30 DFEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444707095 429274912 /nfs/dbraw/zinc/27/49/12/429274912.db2.gz OHFSBCWZQNBXDB-LLVKDONJSA-N 1 2 311.788 2.671 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020432 429322893 /nfs/dbraw/zinc/32/28/93/429322893.db2.gz ZEQAGTAQITVTNX-ZIAGYGMSSA-N 1 2 308.447 2.675 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020432 429322896 /nfs/dbraw/zinc/32/28/96/429322896.db2.gz ZEQAGTAQITVTNX-ZIAGYGMSSA-N 1 2 308.447 2.675 20 30 DFEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491127449 429328045 /nfs/dbraw/zinc/32/80/45/429328045.db2.gz WVTSVHKJKRECDK-CQSZACIVSA-N 1 2 305.740 2.556 20 30 DFEDLO C#CC[N@@H+](CN1C[C@H](C(F)F)CC1=O)[C@@H]1CCc2ccccc21 ZINC000491209821 429335960 /nfs/dbraw/zinc/33/59/60/429335960.db2.gz MEZXONWVIMOJEH-GDBMZVCRSA-N 1 2 318.367 2.680 20 30 DFEDLO C#CC[N@H+](CN1C[C@H](C(F)F)CC1=O)[C@@H]1CCc2ccccc21 ZINC000491209821 429335963 /nfs/dbraw/zinc/33/59/63/429335963.db2.gz MEZXONWVIMOJEH-GDBMZVCRSA-N 1 2 318.367 2.680 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000491229147 429336965 /nfs/dbraw/zinc/33/69/65/429336965.db2.gz FFXAJUXXLFLCNT-SWLSCSKDSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000491229147 429336968 /nfs/dbraw/zinc/33/69/68/429336968.db2.gz FFXAJUXXLFLCNT-SWLSCSKDSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000491264906 429340733 /nfs/dbraw/zinc/34/07/33/429340733.db2.gz IRDZUKCCUSVATF-KRWDZBQOSA-N 1 2 324.428 2.779 20 30 DFEDLO C#C[C@H](CC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491298257 429345588 /nfs/dbraw/zinc/34/55/88/429345588.db2.gz VEFRTNCWXXERRS-GFCCVEGCSA-N 1 2 316.792 2.737 20 30 DFEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000495915907 429292591 /nfs/dbraw/zinc/29/25/91/429292591.db2.gz RPIFQWOYYCLWIW-AWEZNQCLSA-N 1 2 321.808 2.874 20 30 DFEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000495915907 429292595 /nfs/dbraw/zinc/29/25/95/429292595.db2.gz RPIFQWOYYCLWIW-AWEZNQCLSA-N 1 2 321.808 2.874 20 30 DFEDLO C#CC[N@H+](Cc1noc(C2CCOCC2)n1)C1CCCCC1 ZINC000490615128 429295547 /nfs/dbraw/zinc/29/55/47/429295547.db2.gz DJRDEDSEYWTTNI-UHFFFAOYSA-N 1 2 303.406 2.732 20 30 DFEDLO C#CC[N@@H+](Cc1noc(C2CCOCC2)n1)C1CCCCC1 ZINC000490615128 429295552 /nfs/dbraw/zinc/29/55/52/429295552.db2.gz DJRDEDSEYWTTNI-UHFFFAOYSA-N 1 2 303.406 2.732 20 30 DFEDLO C#CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)C1CCCCC1 ZINC000490604918 429297060 /nfs/dbraw/zinc/29/70/60/429297060.db2.gz NIWDCYIZAWEZLY-UHFFFAOYSA-N 1 2 309.413 2.980 20 30 DFEDLO CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000425439293 429298308 /nfs/dbraw/zinc/29/83/08/429298308.db2.gz BGYBMJXPHTZRGW-IXDOHACOSA-N 1 2 311.429 2.625 20 30 DFEDLO CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000425439293 429298313 /nfs/dbraw/zinc/29/83/13/429298313.db2.gz BGYBMJXPHTZRGW-IXDOHACOSA-N 1 2 311.429 2.625 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000456426095 429303711 /nfs/dbraw/zinc/30/37/11/429303711.db2.gz QKZHDOVILCXEIX-WFASDCNBSA-N 1 2 306.369 2.609 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2[nH+]ccn21 ZINC000456424346 429304749 /nfs/dbraw/zinc/30/47/49/429304749.db2.gz PNZGFMRFZSZKGG-IUODEOHRSA-N 1 2 306.369 2.874 20 30 DFEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC=CCC1 ZINC000448577523 429314133 /nfs/dbraw/zinc/31/41/33/429314133.db2.gz JEPMOZUSIAKTOV-HXUWFJFHSA-N 1 2 323.440 2.949 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000448719760 429316600 /nfs/dbraw/zinc/31/66/00/429316600.db2.gz LPBJTKWFILPOMD-KBXCAEBGSA-N 1 2 312.417 2.628 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000491698987 429392450 /nfs/dbraw/zinc/39/24/50/429392450.db2.gz BUVJSKAWNUXNQY-CQSZACIVSA-N 1 2 317.820 2.849 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000491698987 429392455 /nfs/dbraw/zinc/39/24/55/429392455.db2.gz BUVJSKAWNUXNQY-CQSZACIVSA-N 1 2 317.820 2.849 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491738511 429400578 /nfs/dbraw/zinc/40/05/78/429400578.db2.gz FXSDJNYOSWFQBV-CQSZACIVSA-N 1 2 316.792 2.730 20 30 DFEDLO CC(C)c1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)[nH]1 ZINC000449406319 429405452 /nfs/dbraw/zinc/40/54/52/429405452.db2.gz WYXULELWHZGALC-UHFFFAOYSA-N 1 2 313.405 2.900 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000491371353 429352648 /nfs/dbraw/zinc/35/26/48/429352648.db2.gz DRSWCMAEWULPTK-SNVBAGLBSA-N 1 2 300.431 2.606 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000491371353 429352651 /nfs/dbraw/zinc/35/26/51/429352651.db2.gz DRSWCMAEWULPTK-SNVBAGLBSA-N 1 2 300.431 2.606 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccccc2F)n1 ZINC000491515219 429369372 /nfs/dbraw/zinc/36/93/72/429369372.db2.gz MNHAZORUYCPNMV-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccccc2F)n1 ZINC000491515219 429369374 /nfs/dbraw/zinc/36/93/74/429369374.db2.gz MNHAZORUYCPNMV-OAHLLOKOSA-N 1 2 315.392 2.865 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000491538015 429371576 /nfs/dbraw/zinc/37/15/76/429371576.db2.gz WCHFNECGZRZQGD-UONOGXRCSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1 ZINC000491538015 429371579 /nfs/dbraw/zinc/37/15/79/429371579.db2.gz WCHFNECGZRZQGD-UONOGXRCSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000491569015 429374802 /nfs/dbraw/zinc/37/48/02/429374802.db2.gz TXXLECFHHHTJMS-ROUUACIJSA-N 1 2 310.372 2.919 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(C#N)c1)CCO2 ZINC000449526650 429444544 /nfs/dbraw/zinc/44/45/44/429444544.db2.gz XAEDZKFPRVIJMJ-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(C#N)c1)CCO2 ZINC000449526650 429444548 /nfs/dbraw/zinc/44/45/48/429444548.db2.gz XAEDZKFPRVIJMJ-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO N#Cc1cc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)ccc1F ZINC000366438880 429452017 /nfs/dbraw/zinc/45/20/17/429452017.db2.gz MUPPIGHHDANMLO-LLVKDONJSA-N 1 2 313.336 2.593 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2sccc2C)n1 ZINC000491807826 429412222 /nfs/dbraw/zinc/41/22/22/429412222.db2.gz TWDSAJQSTFCRRV-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2sccc2C)n1 ZINC000491807826 429412226 /nfs/dbraw/zinc/41/22/26/429412226.db2.gz TWDSAJQSTFCRRV-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000519698732 429478739 /nfs/dbraw/zinc/47/87/39/429478739.db2.gz BDVSVJHSSSDTDO-GHMZBOCLSA-N 1 2 303.328 2.927 20 30 DFEDLO N#CCc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000366955666 429547497 /nfs/dbraw/zinc/54/74/97/429547497.db2.gz RZVSTZCSFQKTER-UHFFFAOYSA-N 1 2 320.396 2.546 20 30 DFEDLO C#C[C@H](NC(=O)NCc1cccc(-c2[nH+]ccn2C)c1)C(C)C ZINC000366979837 429553390 /nfs/dbraw/zinc/55/33/90/429553390.db2.gz HKGIKFJVJVENPI-INIZCTEOSA-N 1 2 310.401 2.544 20 30 DFEDLO CCCC[C@H](C(=O)OC)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065177 429569732 /nfs/dbraw/zinc/56/97/32/429569732.db2.gz HFAWJVGYKZWNGE-OAHLLOKOSA-N 1 2 315.417 2.671 20 30 DFEDLO CC[C@@H](NC(=O)/C=C\c1ccc(OCC#N)cc1)c1[nH]cc[nH+]1 ZINC000492619009 429579360 /nfs/dbraw/zinc/57/93/60/429579360.db2.gz GZFUPLLKBOFCRT-GTBONMDNSA-N 1 2 310.357 2.593 20 30 DFEDLO COc1ccc(C[NH+]2CCN(CC3(C#N)CCC3)CC2)cc1F ZINC000450240900 429583396 /nfs/dbraw/zinc/58/33/96/429583396.db2.gz JHFICVNDZDLIAH-UHFFFAOYSA-N 1 2 317.408 2.646 20 30 DFEDLO COc1ccc(CN2CC[NH+](CC3(C#N)CCC3)CC2)cc1F ZINC000450240900 429583400 /nfs/dbraw/zinc/58/34/00/429583400.db2.gz JHFICVNDZDLIAH-UHFFFAOYSA-N 1 2 317.408 2.646 20 30 DFEDLO C=CCN(CC=C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000521009624 429536026 /nfs/dbraw/zinc/53/60/26/429536026.db2.gz QZNNCSBBUSXCKE-AWEZNQCLSA-N 1 2 316.449 2.879 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492830661 429625140 /nfs/dbraw/zinc/62/51/40/429625140.db2.gz DDOGSHFKBYPCRF-FLVLSHQESA-N 1 2 307.397 2.667 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CC1 ZINC000492883613 429636332 /nfs/dbraw/zinc/63/63/32/429636332.db2.gz WVCNQKYTXUIPEC-ZGRWHYIRSA-N 1 2 306.369 2.572 20 30 DFEDLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367438848 429647596 /nfs/dbraw/zinc/64/75/96/429647596.db2.gz PSAZJMAPSVVVPR-MRXNPFEDSA-N 1 2 305.385 2.974 20 30 DFEDLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367438848 429647598 /nfs/dbraw/zinc/64/75/98/429647598.db2.gz PSAZJMAPSVVVPR-MRXNPFEDSA-N 1 2 305.385 2.974 20 30 DFEDLO C=CCC1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCCC1 ZINC000450594115 429657183 /nfs/dbraw/zinc/65/71/83/429657183.db2.gz CEYXRNRTDARIIZ-UHFFFAOYSA-N 1 2 314.433 2.570 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367574903 429674563 /nfs/dbraw/zinc/67/45/63/429674563.db2.gz JFZWRYKYCAENJN-XJKSGUPXSA-N 1 2 319.836 2.750 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2Cl)C1 ZINC000367574903 429674566 /nfs/dbraw/zinc/67/45/66/429674566.db2.gz JFZWRYKYCAENJN-XJKSGUPXSA-N 1 2 319.836 2.750 20 30 DFEDLO COC(=O)c1coc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000450658156 429672638 /nfs/dbraw/zinc/67/26/38/429672638.db2.gz ZTDZAUFACHNRPL-UHFFFAOYSA-N 1 2 323.352 2.622 20 30 DFEDLO COC(=O)c1coc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000450658156 429672641 /nfs/dbraw/zinc/67/26/41/429672641.db2.gz ZTDZAUFACHNRPL-UHFFFAOYSA-N 1 2 323.352 2.622 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CC[N@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367574900 429673794 /nfs/dbraw/zinc/67/37/94/429673794.db2.gz JFZWRYKYCAENJN-BBRMVZONSA-N 1 2 319.836 2.750 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367574900 429673797 /nfs/dbraw/zinc/67/37/97/429673797.db2.gz JFZWRYKYCAENJN-BBRMVZONSA-N 1 2 319.836 2.750 20 30 DFEDLO C=CCC[C@H](c1ccco1)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367604428 429683428 /nfs/dbraw/zinc/68/34/28/429683428.db2.gz BNROPLURDKOEOT-GDBMZVCRSA-N 1 2 316.405 2.972 20 30 DFEDLO C=CCC[C@H](c1ccco1)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367604428 429683433 /nfs/dbraw/zinc/68/34/33/429683433.db2.gz BNROPLURDKOEOT-GDBMZVCRSA-N 1 2 316.405 2.972 20 30 DFEDLO Cc1ccc[nH+]c1CCNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000450739543 429687417 /nfs/dbraw/zinc/68/74/17/429687417.db2.gz RFQHIDYRZBBRPX-UHFFFAOYSA-N 1 2 306.291 3.330 20 30 DFEDLO CC(C)Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493123858 429694913 /nfs/dbraw/zinc/69/49/13/429694913.db2.gz VSIMKEAGCZAUSR-OEIFXAAASA-N 1 2 313.445 2.858 20 30 DFEDLO C=CCN(CCOC)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493362229 429745915 /nfs/dbraw/zinc/74/59/15/429745915.db2.gz BGBKOGUUUDJOPI-TWGQIWQCSA-N 1 2 311.385 2.547 20 30 DFEDLO CC1(CC(F)(F)F)C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000459637772 429700950 /nfs/dbraw/zinc/70/09/50/429700950.db2.gz MDWQPVYPBBUFSJ-UHFFFAOYSA-N 1 2 308.307 2.980 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccn(C)n1 ZINC000459799591 429702528 /nfs/dbraw/zinc/70/25/28/429702528.db2.gz VQXXUCIANJSCIM-SNVBAGLBSA-N 1 2 319.206 2.905 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2cscc2C#N)[C@@H](c2ccccc2)C1 ZINC000459881762 429703587 /nfs/dbraw/zinc/70/35/87/429703587.db2.gz CACADXGFCCNYCY-MRXNPFEDSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2cscc2C#N)[C@@H](c2ccccc2)C1 ZINC000459881762 429703589 /nfs/dbraw/zinc/70/35/89/429703589.db2.gz CACADXGFCCNYCY-MRXNPFEDSA-N 1 2 311.410 2.749 20 30 DFEDLO COC(=O)C[C@](C)([NH2+]CC1(C#N)CCC1)c1cccc(OC)c1 ZINC000450821618 429706433 /nfs/dbraw/zinc/70/64/33/429706433.db2.gz RROWNWNXLYFEKO-KRWDZBQOSA-N 1 2 316.401 2.757 20 30 DFEDLO C[C@H]1COCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367736643 429708329 /nfs/dbraw/zinc/70/83/29/429708329.db2.gz HHXKIOVPZILRAU-LLVKDONJSA-N 1 2 309.207 2.789 20 30 DFEDLO C[C@H]1COCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367736643 429708331 /nfs/dbraw/zinc/70/83/31/429708331.db2.gz HHXKIOVPZILRAU-LLVKDONJSA-N 1 2 309.207 2.789 20 30 DFEDLO C=C(C)[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)c1ccc(F)c(F)c1 ZINC000475730265 429716009 /nfs/dbraw/zinc/71/60/09/429716009.db2.gz JBPSKGYQQYQLMB-AWEZNQCLSA-N 1 2 319.359 3.254 20 30 DFEDLO C=C(C)[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475730265 429716012 /nfs/dbraw/zinc/71/60/12/429716012.db2.gz JBPSKGYQQYQLMB-AWEZNQCLSA-N 1 2 319.359 3.254 20 30 DFEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)CC1(C#N)CCC1 ZINC000450943585 429734653 /nfs/dbraw/zinc/73/46/53/429734653.db2.gz SUJDGYCMAXAFSP-UHFFFAOYSA-N 1 2 305.447 2.689 20 30 DFEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)CC1(C#N)CCC1 ZINC000450943585 429734657 /nfs/dbraw/zinc/73/46/57/429734657.db2.gz SUJDGYCMAXAFSP-UHFFFAOYSA-N 1 2 305.447 2.689 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc2ccccc2c1 ZINC000493365762 429747105 /nfs/dbraw/zinc/74/71/05/429747105.db2.gz IFMJXSNSPAPQTN-SINXNMPMSA-N 1 2 307.397 2.813 20 30 DFEDLO Cc1nc([C@H](C)[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000368133527 429796154 /nfs/dbraw/zinc/79/61/54/429796154.db2.gz VMPZCUIKMMMLIJ-ZDUSSCGKSA-N 1 2 311.389 2.523 20 30 DFEDLO Cc1nc([C@H](C)[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000368133527 429796157 /nfs/dbraw/zinc/79/61/57/429796157.db2.gz VMPZCUIKMMMLIJ-ZDUSSCGKSA-N 1 2 311.389 2.523 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000527790904 429797924 /nfs/dbraw/zinc/79/79/24/429797924.db2.gz PJGKWEDNCYQMSJ-UHFFFAOYSA-N 1 2 304.781 2.934 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000367976077 429758882 /nfs/dbraw/zinc/75/88/82/429758882.db2.gz HRMZNQJYFQWDQP-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000367976077 429758888 /nfs/dbraw/zinc/75/88/88/429758888.db2.gz HRMZNQJYFQWDQP-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000527621117 429769141 /nfs/dbraw/zinc/76/91/41/429769141.db2.gz BTCLJNAYRKGLJY-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@H+](CCOc1ccccc1C#N)C2 ZINC000527621117 429769145 /nfs/dbraw/zinc/76/91/45/429769145.db2.gz BTCLJNAYRKGLJY-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2n1CCCC2 ZINC000451400356 429822435 /nfs/dbraw/zinc/82/24/35/429822435.db2.gz AQVOVFVPUOXWKP-UHFFFAOYSA-N 1 2 313.380 2.650 20 30 DFEDLO CC1(C)CN(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000494102045 429856716 /nfs/dbraw/zinc/85/67/16/429856716.db2.gz JOAJETQIMMRCMK-UHFFFAOYSA-N 1 2 311.385 2.836 20 30 DFEDLO CC1(C)CN(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000494102045 429856719 /nfs/dbraw/zinc/85/67/19/429856719.db2.gz JOAJETQIMMRCMK-UHFFFAOYSA-N 1 2 311.385 2.836 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)sc1SCC#N ZINC000573134500 429928222 /nfs/dbraw/zinc/92/82/22/429928222.db2.gz LLNFFEBYDCGGGJ-MRVPVSSYSA-N 1 2 321.431 2.608 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)sc1SCC#N ZINC000573134500 429928228 /nfs/dbraw/zinc/92/82/28/429928228.db2.gz LLNFFEBYDCGGGJ-MRVPVSSYSA-N 1 2 321.431 2.608 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)CC2)cc1 ZINC000368809789 429896147 /nfs/dbraw/zinc/89/61/47/429896147.db2.gz KQVSLIKWKXBNES-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO N#Cc1ccc(C2(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)CC2)cc1 ZINC000368809789 429896149 /nfs/dbraw/zinc/89/61/49/429896149.db2.gz KQVSLIKWKXBNES-UHFFFAOYSA-N 1 2 320.396 2.719 20 30 DFEDLO C#Cc1cccc(N(C)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000368968472 429904635 /nfs/dbraw/zinc/90/46/35/429904635.db2.gz BYOJSFCYAOUECL-KRWDZBQOSA-N 1 2 319.408 2.942 20 30 DFEDLO C#CCC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000368976187 429905212 /nfs/dbraw/zinc/90/52/12/429905212.db2.gz UOPVVURAQPNCCL-UHFFFAOYSA-N 1 2 313.445 2.852 20 30 DFEDLO C=CCNC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369026346 429908233 /nfs/dbraw/zinc/90/82/33/429908233.db2.gz HELWNLXBPCKWMN-GOSISDBHSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCNC(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369026346 429908234 /nfs/dbraw/zinc/90/82/34/429908234.db2.gz HELWNLXBPCKWMN-GOSISDBHSA-N 1 2 313.376 2.544 20 30 DFEDLO C=CCC1(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CCCCC1 ZINC000451687545 429871260 /nfs/dbraw/zinc/87/12/60/429871260.db2.gz CQAKLJXUSRRXSU-DLBZAZTESA-N 1 2 320.477 2.835 20 30 DFEDLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000573982305 430001530 /nfs/dbraw/zinc/00/15/30/430001530.db2.gz DEWVWCRIEYZPMD-QGZVFWFLSA-N 1 2 305.385 2.509 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000639921156 430022225 /nfs/dbraw/zinc/02/22/25/430022225.db2.gz RUZSJKREBHSYLB-MRXNPFEDSA-N 1 2 320.481 2.765 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639921156 430022228 /nfs/dbraw/zinc/02/22/28/430022228.db2.gz RUZSJKREBHSYLB-MRXNPFEDSA-N 1 2 320.481 2.765 20 30 DFEDLO N#Cc1ccc2ncc(CNc3ccc(N4CCCC4)c[nH+]3)n2c1 ZINC000561369003 430088035 /nfs/dbraw/zinc/08/80/35/430088035.db2.gz GCZNMXFXJPDDOD-UHFFFAOYSA-N 1 2 318.384 2.813 20 30 DFEDLO C[C@H](CSCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576044447 430101021 /nfs/dbraw/zinc/10/10/21/430101021.db2.gz UAPDQFYYXBNWFB-RHSMWYFYSA-N 1 2 319.474 2.516 20 30 DFEDLO C=CCCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000576528419 430107318 /nfs/dbraw/zinc/10/73/18/430107318.db2.gz JBDIZZFWZKOXRT-UHFFFAOYSA-N 1 2 302.422 2.660 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000577387105 430114210 /nfs/dbraw/zinc/11/42/10/430114210.db2.gz YWRKZCWETLYAFX-YJBOKZPZSA-N 1 2 315.417 2.544 20 30 DFEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000532181167 430152590 /nfs/dbraw/zinc/15/25/90/430152590.db2.gz NKYIGWKWYDTFAC-CQSZACIVSA-N 1 2 320.396 2.533 20 30 DFEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000532181167 430152593 /nfs/dbraw/zinc/15/25/93/430152593.db2.gz NKYIGWKWYDTFAC-CQSZACIVSA-N 1 2 320.396 2.533 20 30 DFEDLO C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000563217934 430179966 /nfs/dbraw/zinc/17/99/66/430179966.db2.gz QTXUPIYZNKSNSG-UAGQMJEPSA-N 1 2 308.385 2.600 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(C#N)c2)c1C ZINC000530670289 430121222 /nfs/dbraw/zinc/12/12/22/430121222.db2.gz PNNFWZIHBDGVOC-UHFFFAOYSA-N 1 2 323.396 2.780 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000530910686 430128197 /nfs/dbraw/zinc/12/81/97/430128197.db2.gz CMTBKUJPQOZDFO-HNNXBMFYSA-N 1 2 322.393 2.873 20 30 DFEDLO Cc1cccn2cc(CC(=O)N3CCCC(C)(C)[C@H]3C#N)[nH+]c12 ZINC000562421396 430131338 /nfs/dbraw/zinc/13/13/38/430131338.db2.gz GSWODWHPMDGTMC-OAHLLOKOSA-N 1 2 310.401 2.726 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000580650368 430143140 /nfs/dbraw/zinc/14/31/40/430143140.db2.gz POHAOAYEXKQVGZ-QGZVFWFLSA-N 1 2 322.412 2.756 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000565183601 430204256 /nfs/dbraw/zinc/20/42/56/430204256.db2.gz WJQDVSNVRNBOQO-CYBMUJFWSA-N 1 2 312.373 2.910 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000565183601 430204262 /nfs/dbraw/zinc/20/42/62/430204262.db2.gz WJQDVSNVRNBOQO-CYBMUJFWSA-N 1 2 312.373 2.910 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000565371442 430208280 /nfs/dbraw/zinc/20/82/80/430208280.db2.gz CCYCNNYXCIFYBW-AWEZNQCLSA-N 1 2 320.396 2.776 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000565371442 430208286 /nfs/dbraw/zinc/20/82/86/430208286.db2.gz CCYCNNYXCIFYBW-AWEZNQCLSA-N 1 2 320.396 2.776 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000567058782 430276429 /nfs/dbraw/zinc/27/64/29/430276429.db2.gz DSAYTTRJHUNRLY-MRXNPFEDSA-N 1 2 317.433 2.587 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000567707097 430287028 /nfs/dbraw/zinc/28/70/28/430287028.db2.gz JMLHNETZOQBYIA-SJLPKXTDSA-N 1 2 320.396 2.623 20 30 DFEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1c[nH]c2ccccc21 ZINC000567995546 430303319 /nfs/dbraw/zinc/30/33/19/430303319.db2.gz NLDLDYZNNCBIRT-ACJLOTCBSA-N 1 2 312.417 2.622 20 30 DFEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1c[nH]c2ccccc21 ZINC000567995549 430304327 /nfs/dbraw/zinc/30/43/27/430304327.db2.gz NLDLDYZNNCBIRT-UGSOOPFHSA-N 1 2 312.417 2.622 20 30 DFEDLO C[C@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)n1cc[nH+]c1 ZINC000568047045 430308602 /nfs/dbraw/zinc/30/86/02/430308602.db2.gz DPBQUOOYEKFJPY-GFCCVEGCSA-N 1 2 309.373 2.919 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(OC(F)F)cc2)nn1 ZINC000641059943 430316947 /nfs/dbraw/zinc/31/69/47/430316947.db2.gz DJCVLJQPVVADGE-GFCCVEGCSA-N 1 2 320.343 2.602 20 30 DFEDLO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2[nH+]ccn21 ZINC000568474477 430360866 /nfs/dbraw/zinc/36/08/66/430360866.db2.gz SWLYXODCLXUEGN-PSASIEDQSA-N 1 2 307.279 3.286 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC#N)CC1 ZINC000568506809 430365498 /nfs/dbraw/zinc/36/54/98/430365498.db2.gz OPUVPMDNUXSMTQ-QGZVFWFLSA-N 1 2 311.385 2.788 20 30 DFEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568632557 430377518 /nfs/dbraw/zinc/37/75/18/430377518.db2.gz STFQCGCWYKXPRA-LLVKDONJSA-N 1 2 309.398 2.782 20 30 DFEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000568632557 430377523 /nfs/dbraw/zinc/37/75/23/430377523.db2.gz STFQCGCWYKXPRA-LLVKDONJSA-N 1 2 309.398 2.782 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000569066199 430418083 /nfs/dbraw/zinc/41/80/83/430418083.db2.gz AODPULDLTSEGDH-GOEBONIOSA-N 1 2 320.339 2.822 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000569066199 430418086 /nfs/dbraw/zinc/41/80/86/430418086.db2.gz AODPULDLTSEGDH-GOEBONIOSA-N 1 2 320.339 2.822 20 30 DFEDLO C=CCc1cc(CNc2nc(C)[nH+]cc2C)cc(OC)c1OC ZINC000583575143 430407293 /nfs/dbraw/zinc/40/72/93/430407293.db2.gz UOKZWBKNRZHJTF-UHFFFAOYSA-N 1 2 313.401 3.451 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000584122244 430462847 /nfs/dbraw/zinc/46/28/47/430462847.db2.gz LMBQGMJBMJBDRM-MNOVXSKESA-N 1 2 302.403 2.905 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000569825852 430490966 /nfs/dbraw/zinc/49/09/66/430490966.db2.gz WYNSBOVEABSOCF-OAHLLOKOSA-N 1 2 304.438 2.844 20 30 DFEDLO C=CCCCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000569825852 430490971 /nfs/dbraw/zinc/49/09/71/430490971.db2.gz WYNSBOVEABSOCF-OAHLLOKOSA-N 1 2 304.438 2.844 20 30 DFEDLO N#Cc1ccc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)nn1 ZINC000591974048 430492429 /nfs/dbraw/zinc/49/24/29/430492429.db2.gz YOKMUXHRGJBKAG-QWHCGFSZSA-N 1 2 318.384 3.363 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636251355 430495100 /nfs/dbraw/zinc/49/51/00/430495100.db2.gz FNGIYBBVIPIASH-VXGBXAGGSA-N 1 2 301.312 2.801 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754426 430497986 /nfs/dbraw/zinc/49/79/86/430497986.db2.gz IVRNZTPGEPMCML-OUAUKWLOSA-N 1 2 303.431 2.918 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754426 430497990 /nfs/dbraw/zinc/49/79/90/430497990.db2.gz IVRNZTPGEPMCML-OUAUKWLOSA-N 1 2 303.431 2.918 20 30 DFEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000569985695 430503700 /nfs/dbraw/zinc/50/37/00/430503700.db2.gz IWKXUEQOINFNSR-JLSDUUJJSA-N 1 2 322.412 2.887 20 30 DFEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000569985695 430503705 /nfs/dbraw/zinc/50/37/05/430503705.db2.gz IWKXUEQOINFNSR-JLSDUUJJSA-N 1 2 322.412 2.887 20 30 DFEDLO CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000570098719 430513288 /nfs/dbraw/zinc/51/32/88/430513288.db2.gz VVFSUGROZFSBMY-KSSFIOAISA-N 1 2 317.433 2.537 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000550326422 430542112 /nfs/dbraw/zinc/54/21/12/430542112.db2.gz HNORXSCKUAELEK-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO Cc1cc(NCc2cc(F)c(C#N)c(F)c2)nc(C2CC2)[nH+]1 ZINC000603400252 430549666 /nfs/dbraw/zinc/54/96/66/430549666.db2.gz FFFAXZPRMHSRIX-UHFFFAOYSA-N 1 2 300.312 3.424 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000570736734 430572387 /nfs/dbraw/zinc/57/23/87/430572387.db2.gz MXRYXACPNNWJDP-UWVGGRQHSA-N 1 2 324.768 2.857 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570867724 430584939 /nfs/dbraw/zinc/58/49/39/430584939.db2.gz PWXSETYIVMOFEG-KBXCAEBGSA-N 1 2 315.392 2.508 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570867724 430584944 /nfs/dbraw/zinc/58/49/44/430584944.db2.gz PWXSETYIVMOFEG-KBXCAEBGSA-N 1 2 315.392 2.508 20 30 DFEDLO C=CCNC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000639288114 430599219 /nfs/dbraw/zinc/59/92/19/430599219.db2.gz AZQDUOHJRVQVOX-MRXNPFEDSA-N 1 2 310.401 2.899 20 30 DFEDLO CC[N@H+](CCCNC(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC000571917690 430660246 /nfs/dbraw/zinc/66/02/46/430660246.db2.gz JQLYOVQFRQPUHO-UHFFFAOYSA-N 1 2 323.400 2.991 20 30 DFEDLO CC[N@@H+](CCCNC(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC000571917690 430660247 /nfs/dbraw/zinc/66/02/47/430660247.db2.gz JQLYOVQFRQPUHO-UHFFFAOYSA-N 1 2 323.400 2.991 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1C#N ZINC000571150899 430607548 /nfs/dbraw/zinc/60/75/48/430607548.db2.gz SSGHWWYVCDZSCV-MRXNPFEDSA-N 1 2 316.401 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1C#N ZINC000571150899 430607552 /nfs/dbraw/zinc/60/75/52/430607552.db2.gz SSGHWWYVCDZSCV-MRXNPFEDSA-N 1 2 316.401 2.592 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571293780 430618079 /nfs/dbraw/zinc/61/80/79/430618079.db2.gz XNTHMAHHXXKHJV-ZQIUZPCESA-N 1 2 300.406 2.861 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571296338 430619679 /nfs/dbraw/zinc/61/96/79/430619679.db2.gz MDBLYMGREZBHCB-AWEZNQCLSA-N 1 2 313.401 2.812 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571296338 430619683 /nfs/dbraw/zinc/61/96/83/430619683.db2.gz MDBLYMGREZBHCB-AWEZNQCLSA-N 1 2 313.401 2.812 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000554443479 430636042 /nfs/dbraw/zinc/63/60/42/430636042.db2.gz OZWHCYLCQZUXBF-ZDUSSCGKSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nc(-c2cccc(F)c2)no1 ZINC000554523661 430640829 /nfs/dbraw/zinc/64/08/29/430640829.db2.gz RJKOVZFQDWKLDB-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO N#C[C@@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC12CCCC2 ZINC000572089548 430670092 /nfs/dbraw/zinc/67/00/92/430670092.db2.gz PMIRSVNGXORKMB-LJQANCHMSA-N 1 2 324.428 2.641 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000555595411 430670588 /nfs/dbraw/zinc/67/05/88/430670588.db2.gz BYIINDARZASOAH-JYJNAYRXSA-N 1 2 304.438 2.997 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000555751709 430672772 /nfs/dbraw/zinc/67/27/72/430672772.db2.gz KNQPDUKFFWLIBI-GOSISDBHSA-N 1 2 312.438 2.909 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000555751709 430672775 /nfs/dbraw/zinc/67/27/75/430672775.db2.gz KNQPDUKFFWLIBI-GOSISDBHSA-N 1 2 312.438 2.909 20 30 DFEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)[nH]1 ZINC000556626905 430687666 /nfs/dbraw/zinc/68/76/66/430687666.db2.gz RBVIGEARTRNKRQ-VXGBXAGGSA-N 1 2 323.404 2.688 20 30 DFEDLO C=CCn1cc(C(=O)Nc2ccc3[nH]c(CCCC)[nH+]c3c2)nn1 ZINC000648257216 430726822 /nfs/dbraw/zinc/72/68/22/430726822.db2.gz YXAFVMRZHMXUDO-UHFFFAOYSA-N 1 2 324.388 2.935 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533346 430750722 /nfs/dbraw/zinc/75/07/22/430750722.db2.gz BPJFQMGVXMWOHW-VXGBXAGGSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533346 430750726 /nfs/dbraw/zinc/75/07/26/430750726.db2.gz BPJFQMGVXMWOHW-VXGBXAGGSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCOCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000651322022 430764285 /nfs/dbraw/zinc/76/42/85/430764285.db2.gz XYJIUTQLVDUQKS-HNNXBMFYSA-N 1 2 305.809 2.955 20 30 DFEDLO C=CCn1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)nn1 ZINC000648758172 430882071 /nfs/dbraw/zinc/88/20/71/430882071.db2.gz HOSRFXHAHBWSSM-UHFFFAOYSA-N 1 2 322.372 2.860 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651899995 430909881 /nfs/dbraw/zinc/90/98/81/430909881.db2.gz ZXAWUWOAANCVRF-UHFFFAOYSA-N 1 2 324.428 2.811 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651899995 430909884 /nfs/dbraw/zinc/90/98/84/430909884.db2.gz ZXAWUWOAANCVRF-UHFFFAOYSA-N 1 2 324.428 2.811 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000665666976 430996571 /nfs/dbraw/zinc/99/65/71/430996571.db2.gz GWSVGKGIQULXRC-DLBZAZTESA-N 1 2 309.413 2.749 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nnc(C(C)C)s1 ZINC000662087757 430955061 /nfs/dbraw/zinc/95/50/61/430955061.db2.gz JUPIWYQJWLDXFR-TXEJJXNPSA-N 1 2 306.435 2.783 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nnc(C(C)C)s1 ZINC000662087757 430955063 /nfs/dbraw/zinc/95/50/63/430955063.db2.gz JUPIWYQJWLDXFR-TXEJJXNPSA-N 1 2 306.435 2.783 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666455620 431235652 /nfs/dbraw/zinc/23/56/52/431235652.db2.gz UNQCNRUVKQPVFI-SFHVURJKSA-N 1 2 311.385 2.762 20 30 DFEDLO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC000660365709 431399022 /nfs/dbraw/zinc/39/90/22/431399022.db2.gz OEPSFTNEXYUEOG-QGZVFWFLSA-N 1 2 324.380 2.668 20 30 DFEDLO N#Cc1ccc(CC[N@@H+]2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC000660365709 431399027 /nfs/dbraw/zinc/39/90/27/431399027.db2.gz OEPSFTNEXYUEOG-QGZVFWFLSA-N 1 2 324.380 2.668 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)nn1 ZINC000653598188 431453845 /nfs/dbraw/zinc/45/38/45/431453845.db2.gz PZFFEHWQWUWNNA-CYBMUJFWSA-N 1 2 316.405 2.722 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)nn1 ZINC000653675764 431485090 /nfs/dbraw/zinc/48/50/90/431485090.db2.gz PQXVBGZDJDXFRD-INIZCTEOSA-N 1 2 320.824 2.721 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OCC)c(F)c2)nn1 ZINC000657353284 431697114 /nfs/dbraw/zinc/69/71/14/431697114.db2.gz PSMNCKNJVFAFAJ-UHFFFAOYSA-N 1 2 304.369 2.682 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150088 431751957 /nfs/dbraw/zinc/75/19/57/431751957.db2.gz HYUWVMXEIAECPQ-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150088 431751964 /nfs/dbraw/zinc/75/19/64/431751964.db2.gz HYUWVMXEIAECPQ-DZGCQCFKSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CCOCCNc1cc(N[C@@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000664560174 431817990 /nfs/dbraw/zinc/81/79/90/431817990.db2.gz GFZHPJSKTKAGCU-RHSMWYFYSA-N 1 2 320.437 2.707 20 30 DFEDLO C=CCOCCNc1cc(N[C@@H]2CCCO[C@@H]2C(C)C)[nH+]cn1 ZINC000664560174 431817992 /nfs/dbraw/zinc/81/79/92/431817992.db2.gz GFZHPJSKTKAGCU-RHSMWYFYSA-N 1 2 320.437 2.707 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)COC ZINC000661241750 431792808 /nfs/dbraw/zinc/79/28/08/431792808.db2.gz FRARGADHSSTOKP-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)COC ZINC000661241750 431792813 /nfs/dbraw/zinc/79/28/13/431792813.db2.gz FRARGADHSSTOKP-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205544 431776282 /nfs/dbraw/zinc/77/62/82/431776282.db2.gz KEBSWYGPZWEIRX-MCIONIFRSA-N 1 2 302.422 2.701 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205544 431776289 /nfs/dbraw/zinc/77/62/89/431776289.db2.gz KEBSWYGPZWEIRX-MCIONIFRSA-N 1 2 302.422 2.701 20 30 DFEDLO N#Cc1cccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000436411496 297001960 /nfs/dbraw/zinc/00/19/60/297001960.db2.gz NVGISNXUEKYDHX-UHFFFAOYSA-N 1 2 321.359 2.627 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1nc(C(F)(F)F)ccc1C#N)C2 ZINC000371032546 293496598 /nfs/dbraw/zinc/49/65/98/293496598.db2.gz ZFYNBQOKJUWUEU-UHFFFAOYSA-N 1 2 321.306 2.806 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c(C#N)c1C ZINC000279287431 294037383 /nfs/dbraw/zinc/03/73/83/294037383.db2.gz PASJFMVEGHJVEV-JTQLQIEISA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c(C#N)c1C ZINC000279287431 294037385 /nfs/dbraw/zinc/03/73/85/294037385.db2.gz PASJFMVEGHJVEV-JTQLQIEISA-N 1 2 307.419 2.534 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(C#N)cc2[N+](=O)[O-])CC1(C)C ZINC000296271590 294423911 /nfs/dbraw/zinc/42/39/11/294423911.db2.gz KIAXOEOOUJGRKP-AWEZNQCLSA-N 1 2 311.345 2.787 20 30 DFEDLO C=CC[N@H+](Cc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000292522089 335091267 /nfs/dbraw/zinc/09/12/67/335091267.db2.gz JJTVJEPEVVRUDI-GOSISDBHSA-N 1 2 319.470 2.741 20 30 DFEDLO C=CC[N@@H+](Cc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000292522089 335091269 /nfs/dbraw/zinc/09/12/69/335091269.db2.gz JJTVJEPEVVRUDI-GOSISDBHSA-N 1 2 319.470 2.741 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1C#N ZINC000535964872 301265442 /nfs/dbraw/zinc/26/54/42/301265442.db2.gz TVZVVHJKRLVEDG-KRWDZBQOSA-N 1 2 324.384 2.795 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1C#N ZINC000535964872 301265445 /nfs/dbraw/zinc/26/54/45/301265445.db2.gz TVZVVHJKRLVEDG-KRWDZBQOSA-N 1 2 324.384 2.795 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1F ZINC000539248625 301339744 /nfs/dbraw/zinc/33/97/44/301339744.db2.gz UTHZDFSGOZBOFV-AWEZNQCLSA-N 1 2 316.298 2.833 20 30 DFEDLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(C#N)cc1 ZINC000539496740 301343529 /nfs/dbraw/zinc/34/35/29/301343529.db2.gz SNHQIXXWXBHDKC-VIFPVBQESA-N 1 2 305.179 2.895 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000554083117 301725883 /nfs/dbraw/zinc/72/58/83/301725883.db2.gz LIWRNGZLRZZWBS-UHFFFAOYSA-N 1 2 301.733 2.545 20 30 DFEDLO Cc1csc(C2([NH2+]Cc3cnc4c(C#N)cnn4c3)CCC2)n1 ZINC000559879522 301878163 /nfs/dbraw/zinc/87/81/63/301878163.db2.gz XOWBJJPEBBXYAL-UHFFFAOYSA-N 1 2 324.413 2.535 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@H]3c3nccs3)cnc12 ZINC000563621592 302088383 /nfs/dbraw/zinc/08/83/83/302088383.db2.gz AMYVTDLQGOSIRL-AWEZNQCLSA-N 1 2 324.413 2.785 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3c3nccs3)cnc12 ZINC000563621592 302088384 /nfs/dbraw/zinc/08/83/84/302088384.db2.gz AMYVTDLQGOSIRL-AWEZNQCLSA-N 1 2 324.413 2.785 20 30 DFEDLO Cc1cccnc1[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000121031538 302243537 /nfs/dbraw/zinc/24/35/37/302243537.db2.gz VQLKWVYFXOVTOW-WMZOPIPTSA-N 1 2 322.412 2.775 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)cs1 ZINC000567887426 302396665 /nfs/dbraw/zinc/39/66/65/302396665.db2.gz KHKPCLLGNYLLAR-OAHLLOKOSA-N 1 2 324.413 2.703 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cs1 ZINC000567887426 302396667 /nfs/dbraw/zinc/39/66/67/302396667.db2.gz KHKPCLLGNYLLAR-OAHLLOKOSA-N 1 2 324.413 2.703 20 30 DFEDLO CN(C(=O)c1ccc(C#N)cn1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000572998904 302688368 /nfs/dbraw/zinc/68/83/68/302688368.db2.gz BFMBTEPBHKUPIV-MRXNPFEDSA-N 1 2 317.352 2.538 20 30 DFEDLO CC(C)[C@H]([NH2+]CCOc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000184315729 316164577 /nfs/dbraw/zinc/16/45/77/316164577.db2.gz BUMXCRFOWFVRJX-INIZCTEOSA-N 1 2 318.417 2.893 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000491505861 317578578 /nfs/dbraw/zinc/57/85/78/317578578.db2.gz MVFMBTLHJCFHSM-KHPPLWFESA-N 1 2 320.396 2.975 20 30 DFEDLO C[C@H]1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000575384257 318075419 /nfs/dbraw/zinc/07/54/19/318075419.db2.gz PEFZVKFOBGXHKI-GUYCJALGSA-N 1 2 307.401 2.726 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3O)c1C#N ZINC000578150003 318241855 /nfs/dbraw/zinc/24/18/55/318241855.db2.gz CXWXDOWGQLQCOF-KRWDZBQOSA-N 1 2 322.364 2.828 20 30 DFEDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]1 ZINC000579205376 318313838 /nfs/dbraw/zinc/31/38/38/318313838.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]1 ZINC000579205376 318313839 /nfs/dbraw/zinc/31/38/39/318313839.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000579205376 318313840 /nfs/dbraw/zinc/31/38/40/318313840.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000579205376 318313841 /nfs/dbraw/zinc/31/38/41/318313841.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000579205376 318313843 /nfs/dbraw/zinc/31/38/43/318313843.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000579205376 318313844 /nfs/dbraw/zinc/31/38/44/318313844.db2.gz RTGRCRZNKNIQEG-LBPRGKRZSA-N 1 2 301.781 2.628 20 30 DFEDLO Cn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nnc1C1CC1 ZINC000195117177 323278042 /nfs/dbraw/zinc/27/80/42/323278042.db2.gz WJXXKIFBZSHBKA-UHFFFAOYSA-N 1 2 307.401 2.729 20 30 DFEDLO Cn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nnc1C1CC1 ZINC000195117177 323278046 /nfs/dbraw/zinc/27/80/46/323278046.db2.gz WJXXKIFBZSHBKA-UHFFFAOYSA-N 1 2 307.401 2.729 20 30 DFEDLO Cc1csc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000580516463 323394409 /nfs/dbraw/zinc/39/44/09/323394409.db2.gz ZVFMPKINZZOBNR-UHFFFAOYSA-N 1 2 315.402 2.711 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000583607541 323885604 /nfs/dbraw/zinc/88/56/04/323885604.db2.gz WURQHTXHUYGOQD-ZWNOBZJWSA-N 1 2 311.345 2.591 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000297919740 331612406 /nfs/dbraw/zinc/61/24/06/331612406.db2.gz QHNTWAJMVDBEOR-AWEZNQCLSA-N 1 2 316.401 2.849 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000584122245 331837083 /nfs/dbraw/zinc/83/70/83/331837083.db2.gz LMBQGMJBMJBDRM-QWRGUYRKSA-N 1 2 302.403 2.905 20 30 DFEDLO CC1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278470084 332078911 /nfs/dbraw/zinc/07/89/11/332078911.db2.gz HAOPIWMYAZDWCK-UHFFFAOYSA-N 1 2 304.306 2.629 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000093418594 332138546 /nfs/dbraw/zinc/13/85/46/332138546.db2.gz OGBCNPYGWYCWPG-HUUCEWRRSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000093418594 332138547 /nfs/dbraw/zinc/13/85/47/332138547.db2.gz OGBCNPYGWYCWPG-HUUCEWRRSA-N 1 2 318.417 2.987 20 30 DFEDLO CC1C([NH2+]Nc2ccnc(F)c2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000497142016 332147091 /nfs/dbraw/zinc/14/70/91/332147091.db2.gz BLVSIIOGGVQGAZ-SECBINFHSA-N 1 2 322.340 2.545 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000559653459 332275576 /nfs/dbraw/zinc/27/55/76/332275576.db2.gz HCZIKBGQHVKUNN-PBHICJAKSA-N 1 2 313.401 2.593 20 30 DFEDLO Cc1cccn2c(=O)cc(C[N@H+](CCC#N)CC(C)(C)C)nc12 ZINC000109811981 332283928 /nfs/dbraw/zinc/28/39/28/332283928.db2.gz SMCODEBXIGJQJE-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO Cc1cccn2c(=O)cc(C[N@@H+](CCC#N)CC(C)(C)C)nc12 ZINC000109811981 332283929 /nfs/dbraw/zinc/28/39/29/332283929.db2.gz SMCODEBXIGJQJE-UHFFFAOYSA-N 1 2 312.417 2.765 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000119796670 332292981 /nfs/dbraw/zinc/29/29/81/332292981.db2.gz PYUORUIZYQUHAQ-GOSISDBHSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000119796670 332292983 /nfs/dbraw/zinc/29/29/83/332292983.db2.gz PYUORUIZYQUHAQ-GOSISDBHSA-N 1 2 322.408 2.664 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(C#N)CCCC1)C2 ZINC000112671060 332315376 /nfs/dbraw/zinc/31/53/76/332315376.db2.gz TXNBIINNWOVYCG-UHFFFAOYSA-N 1 2 300.406 2.512 20 30 DFEDLO C[NH+](C)[C@@H](CNC(=O)C1(C#N)CCCC1)c1c(F)cccc1F ZINC000115411002 332332393 /nfs/dbraw/zinc/33/23/93/332332393.db2.gz IXQPGOBTWUNPJZ-AWEZNQCLSA-N 1 2 321.371 2.768 20 30 DFEDLO CO/N=C/c1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000120306062 332385266 /nfs/dbraw/zinc/38/52/66/332385266.db2.gz UYFCEKSLWSLQNE-RVZJCZPVSA-N 1 2 312.373 2.757 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000185006668 335103686 /nfs/dbraw/zinc/10/36/86/335103686.db2.gz QHTQYGKNYCLIHU-QGZVFWFLSA-N 1 2 316.445 2.812 20 30 DFEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000293427810 335105786 /nfs/dbraw/zinc/10/57/86/335105786.db2.gz AXSDVHWKAFXRAV-UONOGXRCSA-N 1 2 307.394 2.651 20 30 DFEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000293427810 335105788 /nfs/dbraw/zinc/10/57/88/335105788.db2.gz AXSDVHWKAFXRAV-UONOGXRCSA-N 1 2 307.394 2.651 20 30 DFEDLO NC(COc1ccccc1)=[NH+]OCc1csc(C2CC2)n1 ZINC000152919719 332708695 /nfs/dbraw/zinc/70/86/95/332708695.db2.gz XPHPLWAPRYPFEL-UHFFFAOYSA-N 1 2 303.387 2.888 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000580269883 333046448 /nfs/dbraw/zinc/04/64/48/333046448.db2.gz LDQNPAJGLABVNE-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000580269883 333046450 /nfs/dbraw/zinc/04/64/50/333046450.db2.gz LDQNPAJGLABVNE-LBPRGKRZSA-N 1 2 317.820 2.649 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000174226225 333083510 /nfs/dbraw/zinc/08/35/10/333083510.db2.gz FIBXUEOSJCUVSW-JTQLQIEISA-N 1 2 324.406 2.648 20 30 DFEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)c1C ZINC000174221336 333083527 /nfs/dbraw/zinc/08/35/27/333083527.db2.gz BYDFCXPUZBBPPV-AWEZNQCLSA-N 1 2 321.421 2.592 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175128736 333095400 /nfs/dbraw/zinc/09/54/00/333095400.db2.gz FFIMRZHRGDFPOV-SJLPKXTDSA-N 1 2 316.449 2.607 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175128736 333095401 /nfs/dbraw/zinc/09/54/01/333095401.db2.gz FFIMRZHRGDFPOV-SJLPKXTDSA-N 1 2 316.449 2.607 20 30 DFEDLO CC#CCCCC(=O)N(CC)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000363818747 333178487 /nfs/dbraw/zinc/17/84/87/333178487.db2.gz LHJDPKHRIUODRF-SFHVURJKSA-N 1 2 324.428 2.947 20 30 DFEDLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CC#N)CC1 ZINC000526058029 333186422 /nfs/dbraw/zinc/18/64/22/333186422.db2.gz JUKVGHVMZKOWEP-CYBMUJFWSA-N 1 2 302.426 2.865 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294442140 335123071 /nfs/dbraw/zinc/12/30/71/335123071.db2.gz VGRORRKTGQWMJX-BPUTZDHNSA-N 1 2 316.380 2.604 20 30 DFEDLO N#CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000189040902 333254288 /nfs/dbraw/zinc/25/42/88/333254288.db2.gz BTCVSLXNUBFBRQ-UHFFFAOYSA-N 1 2 311.429 2.730 20 30 DFEDLO N#CC[N@H+](CCC(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000189040902 333254290 /nfs/dbraw/zinc/25/42/90/333254290.db2.gz BTCVSLXNUBFBRQ-UHFFFAOYSA-N 1 2 311.429 2.730 20 30 DFEDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000191888109 333283340 /nfs/dbraw/zinc/28/33/40/333283340.db2.gz YJSIWOOLPPRZPH-QGZVFWFLSA-N 1 2 317.433 2.714 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)C[C@H](C)C#N ZINC000364516219 333324883 /nfs/dbraw/zinc/32/48/83/333324883.db2.gz CFLFYYWFISKWOD-UKRRQHHQSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccsc1)C[C@H](C)C#N ZINC000364516219 333324884 /nfs/dbraw/zinc/32/48/84/333324884.db2.gz CFLFYYWFISKWOD-UKRRQHHQSA-N 1 2 305.447 2.893 20 30 DFEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364727884 333329917 /nfs/dbraw/zinc/32/99/17/333329917.db2.gz HSMGKQPMOHTAQA-ZBFHGGJFSA-N 1 2 322.412 2.873 20 30 DFEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000295264224 335134460 /nfs/dbraw/zinc/13/44/60/335134460.db2.gz LEMNBDFOTKIFSF-AWEZNQCLSA-N 1 2 322.474 2.792 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000185555801 335139395 /nfs/dbraw/zinc/13/93/95/335139395.db2.gz LSFVQMNWQYCBBN-QGZVFWFLSA-N 1 2 316.445 2.954 20 30 DFEDLO N#C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000112211622 333464713 /nfs/dbraw/zinc/46/47/13/333464713.db2.gz WVNLMMZJRFQVMN-MRXNPFEDSA-N 1 2 324.340 2.630 20 30 DFEDLO C=CC[N@@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296468633 335142146 /nfs/dbraw/zinc/14/21/46/335142146.db2.gz XUHCKOSFHQRRKZ-CYBMUJFWSA-N 1 2 300.196 2.609 20 30 DFEDLO C=CC[N@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296468633 335142147 /nfs/dbraw/zinc/14/21/47/335142147.db2.gz XUHCKOSFHQRRKZ-CYBMUJFWSA-N 1 2 300.196 2.609 20 30 DFEDLO O=C(NCC#Cc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338240939 333477597 /nfs/dbraw/zinc/47/75/97/333477597.db2.gz XXOZJMYSNDDHGC-UHFFFAOYSA-N 1 2 319.339 2.793 20 30 DFEDLO CCc1ccc(C#CC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000296406709 335144284 /nfs/dbraw/zinc/14/42/84/335144284.db2.gz WXYJGQGOIDEVLE-GOSISDBHSA-N 1 2 321.424 2.944 20 30 DFEDLO C#CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000296751505 335148206 /nfs/dbraw/zinc/14/82/06/335148206.db2.gz UMZBQXFWNMTJBU-UHFFFAOYSA-N 1 2 324.384 2.592 20 30 DFEDLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565166330 333610475 /nfs/dbraw/zinc/61/04/75/333610475.db2.gz ZNEQHHRFHQVDDN-HNNXBMFYSA-N 1 2 305.809 2.849 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411477430 333679521 /nfs/dbraw/zinc/67/95/21/333679521.db2.gz QLXQAZLMKULENP-CQSZACIVSA-N 1 2 301.390 2.512 20 30 DFEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(CC#N)cc1 ZINC000343410630 335162853 /nfs/dbraw/zinc/16/28/53/335162853.db2.gz CGKPKIOAIDURFQ-UHFFFAOYSA-N 1 2 319.368 2.830 20 30 DFEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(CC#N)cc1 ZINC000343410630 335162854 /nfs/dbraw/zinc/16/28/54/335162854.db2.gz CGKPKIOAIDURFQ-UHFFFAOYSA-N 1 2 319.368 2.830 20 30 DFEDLO N#CCc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263779295 333948309 /nfs/dbraw/zinc/94/83/09/333948309.db2.gz OKVYYFWDPQQARV-UHFFFAOYSA-N 1 2 309.373 2.607 20 30 DFEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)C(C)C)cn2c1 ZINC000265196774 333964175 /nfs/dbraw/zinc/96/41/75/333964175.db2.gz DBXHBHTXFPBZKY-AWEZNQCLSA-N 1 2 316.430 2.540 20 30 DFEDLO COc1cc(/C=N/OCc2c[nH+]cn2C)ccc1OC(C)C ZINC000267772454 333986482 /nfs/dbraw/zinc/98/64/82/333986482.db2.gz LLELCFQIFIGGMP-QGMBQPNBSA-N 1 2 303.362 2.767 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000270362002 334012260 /nfs/dbraw/zinc/01/22/60/334012260.db2.gz KPTNJOJWNLPXJF-IBGZPJMESA-N 1 2 311.429 2.588 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1)C1CC1 ZINC000270362002 334012261 /nfs/dbraw/zinc/01/22/61/334012261.db2.gz KPTNJOJWNLPXJF-IBGZPJMESA-N 1 2 311.429 2.588 20 30 DFEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC(=O)C1CC1 ZINC000271120241 334018986 /nfs/dbraw/zinc/01/89/86/334018986.db2.gz HGAGBWIZHWGYBE-LBPRGKRZSA-N 1 2 302.374 2.602 20 30 DFEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC(=O)C1CC1 ZINC000271120241 334018987 /nfs/dbraw/zinc/01/89/87/334018987.db2.gz HGAGBWIZHWGYBE-LBPRGKRZSA-N 1 2 302.374 2.602 20 30 DFEDLO C[C@H](C#N)CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000271127797 334019042 /nfs/dbraw/zinc/01/90/42/334019042.db2.gz MDCISCTWUSWGNS-SNVBAGLBSA-N 1 2 307.195 2.688 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000271775261 334026719 /nfs/dbraw/zinc/02/67/19/334026719.db2.gz KNKNZKFDNOKAET-OAHLLOKOSA-N 1 2 311.389 2.607 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272517297 334036519 /nfs/dbraw/zinc/03/65/19/334036519.db2.gz GWSSNPLJIOJJFA-MRXNPFEDSA-N 1 2 324.428 2.947 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272625818 334038363 /nfs/dbraw/zinc/03/83/63/334038363.db2.gz VNUMIFVUGKPSTA-ZDUSSCGKSA-N 1 2 301.390 2.648 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000272762325 334039613 /nfs/dbraw/zinc/03/96/13/334039613.db2.gz QNKDRNNZEVSISI-HNNXBMFYSA-N 1 2 320.437 2.735 20 30 DFEDLO CC(C)(C)OC(=O)N1CC[C@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000273326680 334045452 /nfs/dbraw/zinc/04/54/52/334045452.db2.gz IEQWRDPBWMTNMC-SGEFVQMOSA-N 1 2 320.389 2.774 20 30 DFEDLO CCN(CC#N)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000273539353 334048317 /nfs/dbraw/zinc/04/83/17/334048317.db2.gz STDZHJGINNSMAY-UHFFFAOYSA-N 1 2 307.195 2.751 20 30 DFEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)CC#N)c1 ZINC000274653292 334064500 /nfs/dbraw/zinc/06/45/00/334064500.db2.gz DWJBUZYIWAKOEC-UHFFFAOYSA-N 1 2 300.387 2.627 20 30 DFEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)CC#N)c1 ZINC000274653292 334064501 /nfs/dbraw/zinc/06/45/01/334064501.db2.gz DWJBUZYIWAKOEC-UHFFFAOYSA-N 1 2 300.387 2.627 20 30 DFEDLO COCCSCCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000278214748 334093594 /nfs/dbraw/zinc/09/35/94/334093594.db2.gz HIPDVDUEMHVDMB-UHFFFAOYSA-N 1 2 300.399 2.541 20 30 DFEDLO C[NH+](C)[C@H](CNC(=O)CC(C)(C)C#N)c1c(F)cccc1F ZINC000278905865 334103413 /nfs/dbraw/zinc/10/34/13/334103413.db2.gz ZDIUFUYYVZRQCF-CYBMUJFWSA-N 1 2 309.360 2.624 20 30 DFEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)cn1 ZINC000280488996 334117833 /nfs/dbraw/zinc/11/78/33/334117833.db2.gz MAMUAZGATMFFKG-WDEREUQCSA-N 1 2 307.195 2.938 20 30 DFEDLO CO[C@H](CO[NH+]=C(N)Cc1csc(C)n1)c1ccccc1 ZINC000283393784 334140283 /nfs/dbraw/zinc/14/02/83/334140283.db2.gz NTCVTIWBRCKAFF-CQSZACIVSA-N 1 2 305.403 2.671 20 30 DFEDLO NC(=[NH+]OCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000284456588 334143439 /nfs/dbraw/zinc/14/34/39/334143439.db2.gz QLBNXIDGRZCISL-NSHDSACASA-N 1 2 304.268 2.553 20 30 DFEDLO CC(C)(C)OC(=O)c1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284580089 334143905 /nfs/dbraw/zinc/14/39/05/334143905.db2.gz XJWCSAPEAPJTBG-AWEZNQCLSA-N 1 2 320.389 2.610 20 30 DFEDLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284596472 334143988 /nfs/dbraw/zinc/14/39/88/334143988.db2.gz YGOURHRYDPYSEE-DGCLKSJQSA-N 1 2 316.361 2.574 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286158530 334151420 /nfs/dbraw/zinc/15/14/20/334151420.db2.gz ZTZPNPHHGHYXBU-KSSFIOAISA-N 1 2 314.433 2.865 20 30 DFEDLO NC(=[NH+]OCCOC1CCC1)c1cccc(C(F)(F)F)c1 ZINC000288403369 334160233 /nfs/dbraw/zinc/16/02/33/334160233.db2.gz BNODURKRTXMPGS-UHFFFAOYSA-N 1 2 302.296 2.911 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCC1(F)F ZINC000289886838 334169163 /nfs/dbraw/zinc/16/91/63/334169163.db2.gz RSDIAPBSZUSRAR-AWEZNQCLSA-N 1 2 321.371 2.910 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCC1(F)F ZINC000289886838 334169165 /nfs/dbraw/zinc/16/91/65/334169165.db2.gz RSDIAPBSZUSRAR-AWEZNQCLSA-N 1 2 321.371 2.910 20 30 DFEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000292348574 334186974 /nfs/dbraw/zinc/18/69/74/334186974.db2.gz PRNQDBVSJDVOKS-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO Cc1ccoc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000292348574 334186977 /nfs/dbraw/zinc/18/69/77/334186977.db2.gz PRNQDBVSJDVOKS-UHFFFAOYSA-N 1 2 303.406 2.705 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000292341068 334187048 /nfs/dbraw/zinc/18/70/48/334187048.db2.gz WYZGUCNNLWLFLB-MJGOQNOKSA-N 1 2 314.429 2.843 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000292341068 334187049 /nfs/dbraw/zinc/18/70/49/334187049.db2.gz WYZGUCNNLWLFLB-MJGOQNOKSA-N 1 2 314.429 2.843 20 30 DFEDLO CCC[C@@H](C)C(=O)NCC/[NH+]=C/c1cc(OCC)ccc1O ZINC000292356544 334187201 /nfs/dbraw/zinc/18/72/01/334187201.db2.gz QMKYLWJTHZRDCR-RNEAKCBISA-N 1 2 306.406 2.762 20 30 DFEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292386692 334187494 /nfs/dbraw/zinc/18/74/94/334187494.db2.gz KCFPEONXDCXCGJ-NXHRZFHOSA-N 1 2 311.429 2.627 20 30 DFEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292386692 334187495 /nfs/dbraw/zinc/18/74/95/334187495.db2.gz KCFPEONXDCXCGJ-NXHRZFHOSA-N 1 2 311.429 2.627 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000292855290 334193314 /nfs/dbraw/zinc/19/33/14/334193314.db2.gz USHVHURWLZXRND-CQSZACIVSA-N 1 2 302.374 2.529 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000292855290 334193315 /nfs/dbraw/zinc/19/33/15/334193315.db2.gz USHVHURWLZXRND-CQSZACIVSA-N 1 2 302.374 2.529 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293312741 334197161 /nfs/dbraw/zinc/19/71/61/334197161.db2.gz BXUVXCGRJSPSSF-QZTJIDSGSA-N 1 2 313.445 2.895 20 30 DFEDLO Cc1ccn2cc(CNC(=O)[C@]3(C#N)CC34CCCC4)[nH+]c2c1 ZINC000294670113 334212256 /nfs/dbraw/zinc/21/22/56/334212256.db2.gz WZAKKVWQOJOMFI-GOSISDBHSA-N 1 2 308.385 2.733 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccccc2OCC#N)CC1(C)C ZINC000297694034 334243104 /nfs/dbraw/zinc/24/31/04/334243104.db2.gz JDRNBIHFQAXPDG-HNNXBMFYSA-N 1 2 324.384 2.546 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000298525324 334249534 /nfs/dbraw/zinc/24/95/34/334249534.db2.gz CCGSORVHWQAPIZ-HIFRSBDPSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC000298525324 334249536 /nfs/dbraw/zinc/24/95/36/334249536.db2.gz CCGSORVHWQAPIZ-HIFRSBDPSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000299171533 334253780 /nfs/dbraw/zinc/25/37/80/334253780.db2.gz SFHHMEXDRDEKMP-CMPLNLGQSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000299171533 334253782 /nfs/dbraw/zinc/25/37/82/334253782.db2.gz SFHHMEXDRDEKMP-CMPLNLGQSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000353630106 334292222 /nfs/dbraw/zinc/29/22/22/334292222.db2.gz XSHBPKSBWHPXDF-NSHDSACASA-N 1 2 301.415 2.724 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000353630106 334292223 /nfs/dbraw/zinc/29/22/23/334292223.db2.gz XSHBPKSBWHPXDF-NSHDSACASA-N 1 2 301.415 2.724 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000121162948 334343586 /nfs/dbraw/zinc/34/35/86/334343586.db2.gz DYTYWMIBAFSQEH-CQSZACIVSA-N 1 2 313.357 2.668 20 30 DFEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000121162948 334343587 /nfs/dbraw/zinc/34/35/87/334343587.db2.gz DYTYWMIBAFSQEH-CQSZACIVSA-N 1 2 313.357 2.668 20 30 DFEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](CCC#N)C(C)C ZINC000535077154 334365263 /nfs/dbraw/zinc/36/52/63/334365263.db2.gz IEXJHURVISZOBB-UHFFFAOYSA-N 1 2 320.437 2.576 20 30 DFEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](CCC#N)C(C)C ZINC000535077154 334365264 /nfs/dbraw/zinc/36/52/64/334365264.db2.gz IEXJHURVISZOBB-UHFFFAOYSA-N 1 2 320.437 2.576 20 30 DFEDLO C#CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000164696731 334640615 /nfs/dbraw/zinc/64/06/15/334640615.db2.gz IOBOPFJCVAAWAC-UHFFFAOYSA-N 1 2 322.412 2.960 20 30 DFEDLO C[C@@H]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000328895246 334764214 /nfs/dbraw/zinc/76/42/14/334764214.db2.gz BGRXGEMEUUFUPQ-HIFRSBDPSA-N 1 2 320.437 2.534 20 30 DFEDLO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328928231 334769021 /nfs/dbraw/zinc/76/90/21/334769021.db2.gz GKBRONNNLTWIKG-USXIJHARSA-N 1 2 311.385 2.932 20 30 DFEDLO C[C@@H]1CC[C@H](C)N1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330988273 334828632 /nfs/dbraw/zinc/82/86/32/334828632.db2.gz RGDDCGMKAQIOBG-AOOOYVTPSA-N 1 2 304.316 2.732 20 30 DFEDLO CC(C)c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331304498 334856152 /nfs/dbraw/zinc/85/61/52/334856152.db2.gz AOZWIAFCIXLFDT-UHFFFAOYSA-N 1 2 305.422 2.620 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](CCCC(C)(C)C#N)C1 ZINC000344675017 335270949 /nfs/dbraw/zinc/27/09/49/335270949.db2.gz KCIYPNMBBWESLZ-KGLIPLIRSA-N 1 2 317.437 2.774 20 30 DFEDLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000344675017 335270951 /nfs/dbraw/zinc/27/09/51/335270951.db2.gz KCIYPNMBBWESLZ-KGLIPLIRSA-N 1 2 317.437 2.774 20 30 DFEDLO Cn1cc[nH+]c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000345442285 335330341 /nfs/dbraw/zinc/33/03/41/335330341.db2.gz QGYIRFYWXYGCSJ-UHFFFAOYSA-N 1 2 323.400 2.615 20 30 DFEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000346262527 335395975 /nfs/dbraw/zinc/39/59/75/335395975.db2.gz ORZCNYHYNAGWKF-CHWSQXEVSA-N 1 2 305.809 2.705 20 30 DFEDLO CCc1nocc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000350127587 335727644 /nfs/dbraw/zinc/72/76/44/335727644.db2.gz ZPPDOQAHORZYDE-GOSISDBHSA-N 1 2 310.401 2.619 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000350389971 335751903 /nfs/dbraw/zinc/75/19/03/335751903.db2.gz JIQSPHAMEMTDMT-ONGXEEELSA-N 1 2 310.300 2.799 20 30 DFEDLO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329255277 335956397 /nfs/dbraw/zinc/95/63/97/335956397.db2.gz ABPCKXMWJVUHMG-JKSUJKDBSA-N 1 2 310.401 2.949 20 30 DFEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329601452 336002929 /nfs/dbraw/zinc/00/29/29/336002929.db2.gz KPXMWJBOWUCFQX-CMPLNLGQSA-N 1 2 310.357 2.999 20 30 DFEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329601452 336002930 /nfs/dbraw/zinc/00/29/30/336002930.db2.gz KPXMWJBOWUCFQX-CMPLNLGQSA-N 1 2 310.357 2.999 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC2(C1)CCCCC2 ZINC000329606058 336004435 /nfs/dbraw/zinc/00/44/35/336004435.db2.gz ZPSWQTACOIKKDN-AWEZNQCLSA-N 1 2 302.422 2.941 20 30 DFEDLO [O-]C(N[C@H]1CSc2ccccc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329608293 336004812 /nfs/dbraw/zinc/00/48/12/336004812.db2.gz NAZMGWKCCVFEIO-YGRLFVJLSA-N 1 2 314.414 2.618 20 30 DFEDLO [O-]C(N[C@H]1CSc2ccccc21)=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329608293 336004814 /nfs/dbraw/zinc/00/48/14/336004814.db2.gz NAZMGWKCCVFEIO-YGRLFVJLSA-N 1 2 314.414 2.618 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329610689 336009871 /nfs/dbraw/zinc/00/98/71/336009871.db2.gz NVPPFECTKFNHDN-MRXNPFEDSA-N 1 2 314.433 2.898 20 30 DFEDLO C=CCCCC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351527804 336040339 /nfs/dbraw/zinc/04/03/39/336040339.db2.gz BOQUUGHQFBWFET-LSDHHAIUSA-N 1 2 323.412 2.676 20 30 DFEDLO C=CCCCC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351527804 336040340 /nfs/dbraw/zinc/04/03/40/336040340.db2.gz BOQUUGHQFBWFET-LSDHHAIUSA-N 1 2 323.412 2.676 20 30 DFEDLO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329726413 336070915 /nfs/dbraw/zinc/07/09/15/336070915.db2.gz OLKBJEOLEUTZCB-GHMZBOCLSA-N 1 2 316.430 2.862 20 30 DFEDLO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329726413 336070917 /nfs/dbraw/zinc/07/09/17/336070917.db2.gz OLKBJEOLEUTZCB-GHMZBOCLSA-N 1 2 316.430 2.862 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329751509 336078105 /nfs/dbraw/zinc/07/81/05/336078105.db2.gz VRFBWTYJRCTDOS-QWHCGFSZSA-N 1 2 322.478 2.789 20 30 DFEDLO CCS[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329751509 336078107 /nfs/dbraw/zinc/07/81/07/336078107.db2.gz VRFBWTYJRCTDOS-QWHCGFSZSA-N 1 2 322.478 2.789 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329773628 336080425 /nfs/dbraw/zinc/08/04/25/336080425.db2.gz ICAVSGXAFJAKEG-XJKSGUPXSA-N 1 2 320.437 2.514 20 30 DFEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329773628 336080426 /nfs/dbraw/zinc/08/04/26/336080426.db2.gz ICAVSGXAFJAKEG-XJKSGUPXSA-N 1 2 320.437 2.514 20 30 DFEDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329799245 336083149 /nfs/dbraw/zinc/08/31/49/336083149.db2.gz XTGJKOXGERQPKY-UHFFFAOYSA-N 1 2 321.446 2.722 20 30 DFEDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329799245 336083151 /nfs/dbraw/zinc/08/31/51/336083151.db2.gz XTGJKOXGERQPKY-UHFFFAOYSA-N 1 2 321.446 2.722 20 30 DFEDLO CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000329853063 336089438 /nfs/dbraw/zinc/08/94/38/336089438.db2.gz VEPBBIFEFATSAS-DYVFJYSZSA-N 1 2 316.405 2.981 20 30 DFEDLO O=C(C[C@@H]1CCOC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000329861284 336089904 /nfs/dbraw/zinc/08/99/04/336089904.db2.gz XTUSZDXOFVUMBU-AWEZNQCLSA-N 1 2 304.390 2.533 20 30 DFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CCOC1 ZINC000329862406 336090341 /nfs/dbraw/zinc/09/03/41/336090341.db2.gz YNAMTZUDYANUAP-MRXNPFEDSA-N 1 2 318.417 2.842 20 30 DFEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329898901 336093427 /nfs/dbraw/zinc/09/34/27/336093427.db2.gz MPBOKWFGZQQGRJ-ZBEGNZNMSA-N 1 2 318.373 2.503 20 30 DFEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329898901 336093429 /nfs/dbraw/zinc/09/34/29/336093429.db2.gz MPBOKWFGZQQGRJ-ZBEGNZNMSA-N 1 2 318.373 2.503 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000329904856 336094025 /nfs/dbraw/zinc/09/40/25/336094025.db2.gz AFUCWTAEKBMTEX-LSDHHAIUSA-N 1 2 317.433 2.933 20 30 DFEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000329904856 336094026 /nfs/dbraw/zinc/09/40/26/336094026.db2.gz AFUCWTAEKBMTEX-LSDHHAIUSA-N 1 2 317.433 2.933 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329924669 336095820 /nfs/dbraw/zinc/09/58/20/336095820.db2.gz HSMRQEXKLRZSBF-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329924669 336095822 /nfs/dbraw/zinc/09/58/22/336095822.db2.gz HSMRQEXKLRZSBF-CKEIUWERSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)[NH+]1CCOCC1 ZINC000329925640 336095944 /nfs/dbraw/zinc/09/59/44/336095944.db2.gz JZEUJTSIMMQYJT-XQLPTFJDSA-N 1 2 324.465 2.694 20 30 DFEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000329933229 336096965 /nfs/dbraw/zinc/09/69/65/336096965.db2.gz BIQUSIFTWJQBLE-NUEKZKHPSA-N 1 2 316.449 2.918 20 30 DFEDLO Cc1cn2cc(NC(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)ccc2[nH+]1 ZINC000329965479 336100839 /nfs/dbraw/zinc/10/08/39/336100839.db2.gz VEBRIIJCZZUQIX-SWLSCSKDSA-N 1 2 314.389 2.688 20 30 DFEDLO CC[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCOCC1 ZINC000329970083 336101308 /nfs/dbraw/zinc/10/13/08/336101308.db2.gz WXOPLHUZRBWPHU-OAHLLOKOSA-N 1 2 320.437 2.708 20 30 DFEDLO Cc1ccsc1CC[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329974035 336101498 /nfs/dbraw/zinc/10/14/98/336101498.db2.gz YYDJZBUCZLWPCL-CYBMUJFWSA-N 1 2 318.446 2.562 20 30 DFEDLO Cc1ccsc1CCNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329974035 336101499 /nfs/dbraw/zinc/10/14/99/336101499.db2.gz YYDJZBUCZLWPCL-CYBMUJFWSA-N 1 2 318.446 2.562 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000330030938 336107835 /nfs/dbraw/zinc/10/78/35/336107835.db2.gz SIBNROFFIKUIPU-AWEZNQCLSA-N 1 2 310.401 2.733 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1Cc2ccccc2C2(CC2)C1 ZINC000330030938 336107836 /nfs/dbraw/zinc/10/78/36/336107836.db2.gz SIBNROFFIKUIPU-AWEZNQCLSA-N 1 2 310.401 2.733 20 30 DFEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330137522 336116934 /nfs/dbraw/zinc/11/69/34/336116934.db2.gz UYAMTIUSCNQKAN-CPUCHLNUSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330137522 336116936 /nfs/dbraw/zinc/11/69/36/336116936.db2.gz UYAMTIUSCNQKAN-CPUCHLNUSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330196140 336123238 /nfs/dbraw/zinc/12/32/38/336123238.db2.gz PTRAVISFLZTILE-PVAVHDDUSA-N 1 2 324.428 2.990 20 30 DFEDLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330196140 336123239 /nfs/dbraw/zinc/12/32/39/336123239.db2.gz PTRAVISFLZTILE-PVAVHDDUSA-N 1 2 324.428 2.990 20 30 DFEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCc2ccccc21 ZINC000330241760 336128954 /nfs/dbraw/zinc/12/89/54/336128954.db2.gz BWVHGDGOCBHFAX-KXBFYZLASA-N 1 2 324.428 2.953 20 30 DFEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330261547 336130887 /nfs/dbraw/zinc/13/08/87/336130887.db2.gz UIUBFLDNZFXDKV-SNVBAGLBSA-N 1 2 313.361 2.649 20 30 DFEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000330278762 336132791 /nfs/dbraw/zinc/13/27/91/336132791.db2.gz QBQRUYKUNUDUJT-KBUPBQIOSA-N 1 2 302.422 2.622 20 30 DFEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000330278762 336132792 /nfs/dbraw/zinc/13/27/92/336132792.db2.gz QBQRUYKUNUDUJT-KBUPBQIOSA-N 1 2 302.422 2.622 20 30 DFEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000330277201 336132839 /nfs/dbraw/zinc/13/28/39/336132839.db2.gz NXSDZAIXQOFCHV-CYBMUJFWSA-N 1 2 304.438 2.870 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CCCO1 ZINC000330283633 336133222 /nfs/dbraw/zinc/13/32/22/336133222.db2.gz WIEDULSZRNKDGB-WMLDXEAASA-N 1 2 320.437 2.913 20 30 DFEDLO Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2)no1 ZINC000352087448 336194071 /nfs/dbraw/zinc/19/40/71/336194071.db2.gz NCDZORFSMMSMEV-LBPRGKRZSA-N 1 2 300.362 2.549 20 30 DFEDLO Cc1nc(COc2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2)no1 ZINC000352087448 336194072 /nfs/dbraw/zinc/19/40/72/336194072.db2.gz NCDZORFSMMSMEV-LBPRGKRZSA-N 1 2 300.362 2.549 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000352167607 336198657 /nfs/dbraw/zinc/19/86/57/336198657.db2.gz RNMWKEZENJAGLK-IAGOWNOFSA-N 1 2 322.412 2.997 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352196064 336200867 /nfs/dbraw/zinc/20/08/67/336200867.db2.gz WFDYBDZLRDKNGK-LBPRGKRZSA-N 1 2 301.381 2.552 20 30 DFEDLO C=CC[C@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000333309120 336201789 /nfs/dbraw/zinc/20/17/89/336201789.db2.gz NDWZSVWSVDYWHH-HUUCEWRRSA-N 1 2 316.449 2.974 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000333573037 336206193 /nfs/dbraw/zinc/20/61/93/336206193.db2.gz IWAIBWWUMSTWNY-VQISRLSMSA-N 1 2 321.783 2.866 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000333573032 336206204 /nfs/dbraw/zinc/20/62/04/336206204.db2.gz IWAIBWWUMSTWNY-COLVAYQJSA-N 1 2 321.783 2.866 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000333681520 336208113 /nfs/dbraw/zinc/20/81/13/336208113.db2.gz ZXVDIBMBPQDIRJ-QEJZJMRPSA-N 1 2 301.365 2.603 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352464019 336220537 /nfs/dbraw/zinc/22/05/37/336220537.db2.gz NQCLCORDDZLEOW-CYBMUJFWSA-N 1 2 321.371 2.500 20 30 DFEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc(F)cc1 ZINC000352462694 336220540 /nfs/dbraw/zinc/22/05/40/336220540.db2.gz GFJWUUYXEAVGSD-CHWSQXEVSA-N 1 2 321.371 2.719 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352468304 336220878 /nfs/dbraw/zinc/22/08/78/336220878.db2.gz QPJJWMCQZIWYIA-UHFFFAOYSA-N 1 2 321.371 2.502 20 30 DFEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352479723 336221249 /nfs/dbraw/zinc/22/12/49/336221249.db2.gz BOXQCIIAVJGJRY-CQSZACIVSA-N 1 2 315.392 2.682 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000352788563 336236734 /nfs/dbraw/zinc/23/67/34/336236734.db2.gz ABCWKWAYWFQCOP-ZDUSSCGKSA-N 1 2 317.389 2.715 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cn1 ZINC000352790020 336236841 /nfs/dbraw/zinc/23/68/41/336236841.db2.gz DBXRRVPMFTWWEE-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cn1 ZINC000352790020 336236842 /nfs/dbraw/zinc/23/68/42/336236842.db2.gz DBXRRVPMFTWWEE-UHFFFAOYSA-N 1 2 302.374 2.754 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000352794396 336237171 /nfs/dbraw/zinc/23/71/71/336237171.db2.gz ATNSEDGFVIJYAQ-CABCVRRESA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000352794396 336237172 /nfs/dbraw/zinc/23/71/72/336237172.db2.gz ATNSEDGFVIJYAQ-CABCVRRESA-N 1 2 322.449 2.843 20 30 DFEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000301751415 336327605 /nfs/dbraw/zinc/32/76/05/336327605.db2.gz UXCQHHXQRZPSRI-UHFFFAOYSA-N 1 2 322.412 2.965 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NCCCC)Cc1cnn(C(C)C)c1 ZINC000352902511 336375582 /nfs/dbraw/zinc/37/55/82/336375582.db2.gz NJZQOFLWJALEOZ-UHFFFAOYSA-N 1 2 306.454 2.758 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NCCCC)Cc1cnn(C(C)C)c1 ZINC000352902511 336375583 /nfs/dbraw/zinc/37/55/83/336375583.db2.gz NJZQOFLWJALEOZ-UHFFFAOYSA-N 1 2 306.454 2.758 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N(CC)CC)Cc1cnn(C(C)C)c1 ZINC000352913343 336376595 /nfs/dbraw/zinc/37/65/95/336376595.db2.gz HBNPVMWJPQAUEU-UHFFFAOYSA-N 1 2 306.454 2.711 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N(CC)CC)Cc1cnn(C(C)C)c1 ZINC000352913343 336376596 /nfs/dbraw/zinc/37/65/96/336376596.db2.gz HBNPVMWJPQAUEU-UHFFFAOYSA-N 1 2 306.454 2.711 20 30 DFEDLO C=CC1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000111438421 336398198 /nfs/dbraw/zinc/39/81/98/336398198.db2.gz NUQPDYKAXNQGNX-UHFFFAOYSA-N 1 2 312.417 2.952 20 30 DFEDLO C#CCOc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111765661 336398550 /nfs/dbraw/zinc/39/85/50/336398550.db2.gz LPQWEXTWLDSJNW-UHFFFAOYSA-N 1 2 324.384 2.764 20 30 DFEDLO C[C@@H](C#N)CN(C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354465467 336471703 /nfs/dbraw/zinc/47/17/03/336471703.db2.gz HOSVYPYZJNVUFD-ZDUSSCGKSA-N 1 2 310.401 2.922 20 30 DFEDLO Cc1cc(NC(=O)CSCC#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000356029101 336532859 /nfs/dbraw/zinc/53/28/59/336532859.db2.gz NGCUIRNPYVWHER-ZDUSSCGKSA-N 1 2 318.446 2.964 20 30 DFEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(CC#N)n1C ZINC000357104779 336573839 /nfs/dbraw/zinc/57/38/39/336573839.db2.gz LUGKENJVLWOARV-UHFFFAOYSA-N 1 2 324.413 2.668 20 30 DFEDLO C[C@@H]1C[NH+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)S1=O ZINC000361657989 336767597 /nfs/dbraw/zinc/76/75/97/336767597.db2.gz DYLXCBPPHCCIGC-HUUCEWRRSA-N 1 2 320.458 2.710 20 30 DFEDLO CCCCCCCCOCC(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000374186726 336983375 /nfs/dbraw/zinc/98/33/75/336983375.db2.gz FRAURISWCGJWLQ-HNNXBMFYSA-N 1 2 307.438 2.691 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000374713237 336995658 /nfs/dbraw/zinc/99/56/58/336995658.db2.gz FAOYEZDKNPONFS-HUUCEWRRSA-N 1 2 320.437 2.594 20 30 DFEDLO N#C[C@@H]1[N@H+](C[C@@H](O)C2CCCCC2)CCC[C@@]12CCCCO2 ZINC000375916262 337023118 /nfs/dbraw/zinc/02/31/18/337023118.db2.gz LHAPIRBBXJBCGJ-SQNIBIBYSA-N 1 2 306.450 2.855 20 30 DFEDLO N#C[C@@H]1[N@@H+](C[C@@H](O)C2CCCCC2)CCC[C@@]12CCCCO2 ZINC000375916262 337023119 /nfs/dbraw/zinc/02/31/19/337023119.db2.gz LHAPIRBBXJBCGJ-SQNIBIBYSA-N 1 2 306.450 2.855 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000376013435 337025273 /nfs/dbraw/zinc/02/52/73/337025273.db2.gz ODIRTMWNFNYEOU-OAHLLOKOSA-N 1 2 311.385 2.711 20 30 DFEDLO C=CCOc1ccc(CNC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000376013435 337025274 /nfs/dbraw/zinc/02/52/74/337025274.db2.gz ODIRTMWNFNYEOU-OAHLLOKOSA-N 1 2 311.385 2.711 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000377708279 337059088 /nfs/dbraw/zinc/05/90/88/337059088.db2.gz WZXPDROKBYRGLN-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000377708279 337059089 /nfs/dbraw/zinc/05/90/89/337059089.db2.gz WZXPDROKBYRGLN-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378079799 337066195 /nfs/dbraw/zinc/06/61/95/337066195.db2.gz NJFQCKQBEQYWEX-HUUCEWRRSA-N 1 2 323.400 2.611 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378079799 337066196 /nfs/dbraw/zinc/06/61/96/337066196.db2.gz NJFQCKQBEQYWEX-HUUCEWRRSA-N 1 2 323.400 2.611 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)cc2)CC1 ZINC000378521012 337075070 /nfs/dbraw/zinc/07/50/70/337075070.db2.gz OTRYMZSMCOCAPK-HNNXBMFYSA-N 1 2 306.369 2.942 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)CC1CC1 ZINC000176253759 337149862 /nfs/dbraw/zinc/14/98/62/337149862.db2.gz MTWWOMMUYNJEPK-IRXDYDNUSA-N 1 2 303.450 2.793 20 30 DFEDLO N#CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)CC1CC1 ZINC000176253759 337149863 /nfs/dbraw/zinc/14/98/63/337149863.db2.gz MTWWOMMUYNJEPK-IRXDYDNUSA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000177642869 337158125 /nfs/dbraw/zinc/15/81/25/337158125.db2.gz ULKQIOATPPXTPI-ZDUSSCGKSA-N 1 2 303.381 2.581 20 30 DFEDLO C=C(C)C[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000181271359 337180714 /nfs/dbraw/zinc/18/07/14/337180714.db2.gz XWNNZAYMGSNUCM-UHFFFAOYSA-N 1 2 311.311 2.689 20 30 DFEDLO C=C(C)C[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000181271359 337180715 /nfs/dbraw/zinc/18/07/15/337180715.db2.gz XWNNZAYMGSNUCM-UHFFFAOYSA-N 1 2 311.311 2.689 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1Cl ZINC000190969765 337291962 /nfs/dbraw/zinc/29/19/62/337291962.db2.gz PKYPTVMVADHOPU-UHFFFAOYSA-N 1 2 322.796 2.644 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418716749 337391749 /nfs/dbraw/zinc/39/17/49/337391749.db2.gz CIGPGAGEYSERIA-OAHLLOKOSA-N 1 2 323.387 2.629 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120428839 337395893 /nfs/dbraw/zinc/39/58/93/337395893.db2.gz BDFWWNXIGWCPQU-OAHLLOKOSA-N 1 2 301.434 2.970 20 30 DFEDLO COCCCn1c(C)cc(C(=O)C[NH+]2CCC(C#N)CC2)c1C ZINC000057906170 337458259 /nfs/dbraw/zinc/45/82/59/337458259.db2.gz ZVOCLPPTWOHCIO-UHFFFAOYSA-N 1 2 317.433 2.560 20 30 DFEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(C)CCC#N ZINC000070787452 337546650 /nfs/dbraw/zinc/54/66/50/337546650.db2.gz WZEFRFYWXBCBRX-RHSMWYFYSA-N 1 2 311.385 2.719 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000424293249 337816420 /nfs/dbraw/zinc/81/64/20/337816420.db2.gz IGWUBCWMLZLKLR-LBPRGKRZSA-N 1 2 301.350 2.532 20 30 DFEDLO COc1cc(/C=C/C(=O)Nc2cc[nH+]cc2C)ccc1OCC#N ZINC000107293308 337828356 /nfs/dbraw/zinc/82/83/56/337828356.db2.gz NXMWJNOKJKFZAL-GQCTYLIASA-N 1 2 323.352 2.953 20 30 DFEDLO N#CC1(CC[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)CCCCC1 ZINC000516255524 338008961 /nfs/dbraw/zinc/00/89/61/338008961.db2.gz VTRUTVJACWKBLW-UHFFFAOYSA-N 1 2 303.410 2.554 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000432085690 338145285 /nfs/dbraw/zinc/14/52/85/338145285.db2.gz RLHNXUPVTZJRND-UHFFFAOYSA-N 1 2 304.438 2.663 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433289125 338189466 /nfs/dbraw/zinc/18/94/66/338189466.db2.gz OWYAQTHLPCSVSR-OAHLLOKOSA-N 1 2 312.417 2.803 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433289125 338189467 /nfs/dbraw/zinc/18/94/67/338189467.db2.gz OWYAQTHLPCSVSR-OAHLLOKOSA-N 1 2 312.417 2.803 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433290121 338189630 /nfs/dbraw/zinc/18/96/30/338189630.db2.gz RWODPAASHDJJED-QWHCGFSZSA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433290121 338189631 /nfs/dbraw/zinc/18/96/31/338189631.db2.gz RWODPAASHDJJED-QWHCGFSZSA-N 1 2 305.397 2.873 20 30 DFEDLO C[C@H](CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311142 338191357 /nfs/dbraw/zinc/19/13/57/338191357.db2.gz GEQVFSZNYCNXSI-CABCVRRESA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311142 338191358 /nfs/dbraw/zinc/19/13/58/338191358.db2.gz GEQVFSZNYCNXSI-CABCVRRESA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CC(C)(C)C#N ZINC000433324459 338192478 /nfs/dbraw/zinc/19/24/78/338192478.db2.gz DNFACDOBYQVGHB-CYBMUJFWSA-N 1 2 305.397 2.654 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433324459 338192479 /nfs/dbraw/zinc/19/24/79/338192479.db2.gz DNFACDOBYQVGHB-CYBMUJFWSA-N 1 2 305.397 2.654 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433496232 338195878 /nfs/dbraw/zinc/19/58/78/338195878.db2.gz DVOCWSCKMLFUBA-OFQRWUPVSA-N 1 2 320.437 2.684 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000435584586 338242867 /nfs/dbraw/zinc/24/28/67/338242867.db2.gz MPKCZOVZSKNUFS-DOTOQJQBSA-N 1 2 310.401 2.662 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000438046092 338329047 /nfs/dbraw/zinc/32/90/47/338329047.db2.gz FEPMIVQMQYRQPE-GOSISDBHSA-N 1 2 319.449 2.773 20 30 DFEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000438201352 338336346 /nfs/dbraw/zinc/33/63/46/338336346.db2.gz PLCKTJRAMUUYQE-HNNXBMFYSA-N 1 2 311.385 2.755 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000438332807 338339963 /nfs/dbraw/zinc/33/99/63/338339963.db2.gz FLQUJIDKHDAXOP-KRWDZBQOSA-N 1 2 302.418 2.598 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000438332807 338339964 /nfs/dbraw/zinc/33/99/64/338339964.db2.gz FLQUJIDKHDAXOP-KRWDZBQOSA-N 1 2 302.418 2.598 20 30 DFEDLO CC#CCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000458576341 339001145 /nfs/dbraw/zinc/00/11/45/339001145.db2.gz PCDMHDVQJVHRBK-GOSISDBHSA-N 1 2 324.428 2.906 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000458806626 339005974 /nfs/dbraw/zinc/00/59/74/339005974.db2.gz BXRLTOCIYWHTAR-UHFFFAOYSA-N 1 2 304.438 2.963 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000458811123 339006247 /nfs/dbraw/zinc/00/62/47/339006247.db2.gz OJHGTMDNQOUCTK-HNNXBMFYSA-N 1 2 318.465 2.987 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459072230 339012698 /nfs/dbraw/zinc/01/26/98/339012698.db2.gz ZDWGGIXSRJYVLZ-AWEZNQCLSA-N 1 2 316.405 2.997 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459470033 339031111 /nfs/dbraw/zinc/03/11/11/339031111.db2.gz SXWXYQZAJSJXRK-GWCFXTLKSA-N 1 2 311.307 2.926 20 30 DFEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491095705 339848659 /nfs/dbraw/zinc/84/86/59/339848659.db2.gz MOARDUZMCGVITK-YVZNUBBCSA-N 1 2 303.724 2.706 20 30 DFEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)cc1F ZINC000491179696 339852093 /nfs/dbraw/zinc/85/20/93/339852093.db2.gz HAOOKTBEYOHVHS-HNNXBMFYSA-N 1 2 319.767 2.636 20 30 DFEDLO C#C[C@H](CCC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000491360100 339859227 /nfs/dbraw/zinc/85/92/27/339859227.db2.gz DFTSAMSHULYPRT-CQSZACIVSA-N 1 2 315.442 2.794 20 30 DFEDLO N#CC[C@@H](CC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000526004077 340708409 /nfs/dbraw/zinc/70/84/09/340708409.db2.gz NXYRZRXMIZGLLS-KRWDZBQOSA-N 1 2 310.401 2.867 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000032614161 340715639 /nfs/dbraw/zinc/71/56/39/340715639.db2.gz WXZZMXLFPYOPOP-UHFFFAOYSA-N 1 2 321.380 2.872 20 30 DFEDLO N#CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000543807073 341059779 /nfs/dbraw/zinc/05/97/79/341059779.db2.gz LCAMKKPPIWQATN-UHFFFAOYSA-N 1 2 318.446 2.586 20 30 DFEDLO CC(C)(C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000081931403 341310392 /nfs/dbraw/zinc/31/03/92/341310392.db2.gz UTQTZODPGYSXCK-UHFFFAOYSA-N 1 2 310.401 2.682 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245722574 341311835 /nfs/dbraw/zinc/31/18/35/341311835.db2.gz AYBUVKWDGSLUGR-GARNVTTQSA-N 1 2 318.465 2.787 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245722574 341311836 /nfs/dbraw/zinc/31/18/36/341311836.db2.gz AYBUVKWDGSLUGR-GARNVTTQSA-N 1 2 318.465 2.787 20 30 DFEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552035240 341363736 /nfs/dbraw/zinc/36/37/36/341363736.db2.gz PGUSEXBLRDAPCL-BZUAXINKSA-N 1 2 317.433 2.902 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000566429448 341557868 /nfs/dbraw/zinc/55/78/68/341557868.db2.gz VPMZAQBWGBORFT-LLVKDONJSA-N 1 2 324.222 2.978 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000311006011 534036989 /nfs/dbraw/zinc/03/69/89/534036989.db2.gz KTNROJJBFOOBLA-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000311006011 534036981 /nfs/dbraw/zinc/03/69/81/534036981.db2.gz KTNROJJBFOOBLA-YGRLFVJLSA-N 1 2 309.207 2.523 20 30 DFEDLO C=C(Br)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000373178645 517313780 /nfs/dbraw/zinc/31/37/80/517313780.db2.gz ICWISWFEGGMPNH-UHFFFAOYSA-N 1 2 315.186 2.973 20 30 DFEDLO C=C[C@H](C)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000362371903 517343896 /nfs/dbraw/zinc/34/38/96/517343896.db2.gz VQRRVCQFMTXGQM-HNNXBMFYSA-N 1 2 316.449 2.904 20 30 DFEDLO COc1cc[nH+]cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000157479540 524866091 /nfs/dbraw/zinc/86/60/91/524866091.db2.gz BLMUUBXZZPYPEW-UHFFFAOYSA-N 1 2 311.341 2.758 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000680999759 545579677 /nfs/dbraw/zinc/57/96/77/545579677.db2.gz NGUBSQCNLAFEFR-HIFRSBDPSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000680999759 545579682 /nfs/dbraw/zinc/57/96/82/545579682.db2.gz NGUBSQCNLAFEFR-HIFRSBDPSA-N 1 2 305.422 2.618 20 30 DFEDLO COCC#CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000683046852 545967089 /nfs/dbraw/zinc/96/70/89/545967089.db2.gz UVOYRKCJLKSGAR-UHFFFAOYSA-N 1 2 300.171 2.670 20 30 DFEDLO COCC#CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000683046852 545967091 /nfs/dbraw/zinc/96/70/91/545967091.db2.gz UVOYRKCJLKSGAR-UHFFFAOYSA-N 1 2 300.171 2.670 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)o3)C2)cc1 ZINC000683845559 546107446 /nfs/dbraw/zinc/10/74/46/546107446.db2.gz UWSMNAOJYFUKGG-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3nnc(C)o3)C2)cc1 ZINC000683845559 546107447 /nfs/dbraw/zinc/10/74/47/546107447.db2.gz UWSMNAOJYFUKGG-INIZCTEOSA-N 1 2 315.373 2.516 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000076719017 185035473 /nfs/dbraw/zinc/03/54/73/185035473.db2.gz LQERGKKJHCSFJF-LBPRGKRZSA-N 1 2 300.362 2.671 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000076719017 185035475 /nfs/dbraw/zinc/03/54/75/185035475.db2.gz LQERGKKJHCSFJF-LBPRGKRZSA-N 1 2 300.362 2.671 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3cncs3)CC2)c(Cl)c1 ZINC000278698710 214335991 /nfs/dbraw/zinc/33/59/91/214335991.db2.gz NMYIUHHYFMKDPB-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000278828321 214428679 /nfs/dbraw/zinc/42/86/79/214428679.db2.gz OPIAXHLUESGZKO-UHFFFAOYSA-N 1 2 311.389 2.582 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000007017702 398358012 /nfs/dbraw/zinc/35/80/12/398358012.db2.gz PIBYKZVUTTUOPG-INIZCTEOSA-N 1 2 307.825 2.826 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000007017702 398358014 /nfs/dbraw/zinc/35/80/14/398358014.db2.gz PIBYKZVUTTUOPG-INIZCTEOSA-N 1 2 307.825 2.826 20 30 DFEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000596194220 398353865 /nfs/dbraw/zinc/35/38/65/398353865.db2.gz GROLAWARXKHGLC-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000081513877 398354984 /nfs/dbraw/zinc/35/49/84/398354984.db2.gz BTGXZXSOKXRZCW-INIZCTEOSA-N 1 2 304.434 2.959 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000081513877 398354987 /nfs/dbraw/zinc/35/49/87/398354987.db2.gz BTGXZXSOKXRZCW-INIZCTEOSA-N 1 2 304.434 2.959 20 30 DFEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000591972364 398366403 /nfs/dbraw/zinc/36/64/03/398366403.db2.gz BGYGXJXOCHOLHD-OAHLLOKOSA-N 1 2 305.740 2.882 20 30 DFEDLO N#CC[C@]1(O)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000591972363 398366643 /nfs/dbraw/zinc/36/66/43/398366643.db2.gz BGYGXJXOCHOLHD-HNNXBMFYSA-N 1 2 305.740 2.882 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000007858092 398367035 /nfs/dbraw/zinc/36/70/35/398367035.db2.gz HZXKUFLFCAIWLN-SFHVURJKSA-N 1 2 317.408 2.845 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000007858092 398367038 /nfs/dbraw/zinc/36/70/38/398367038.db2.gz HZXKUFLFCAIWLN-SFHVURJKSA-N 1 2 317.408 2.845 20 30 DFEDLO CCc1ccc([C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566740059 398367959 /nfs/dbraw/zinc/36/79/59/398367959.db2.gz FMSQPPVDGZLHCY-KDOFPFPSSA-N 1 2 301.434 2.703 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000578186558 398370617 /nfs/dbraw/zinc/37/06/17/398370617.db2.gz YIZWHEIDZZYZID-CVEARBPZSA-N 1 2 311.385 2.674 20 30 DFEDLO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578295232 398372369 /nfs/dbraw/zinc/37/23/69/398372369.db2.gz JDGSQAKWJQXLLP-INIZCTEOSA-N 1 2 319.792 2.968 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)cc2n1C ZINC000578949080 398377076 /nfs/dbraw/zinc/37/70/76/398377076.db2.gz QRZHIWZNCJQKFW-AWEZNQCLSA-N 1 2 319.368 2.779 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000066470528 398380561 /nfs/dbraw/zinc/38/05/61/398380561.db2.gz CWUYYTGENUQVQV-JQWIXIFHSA-N 1 2 317.216 2.825 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000066470528 398380564 /nfs/dbraw/zinc/38/05/64/398380564.db2.gz CWUYYTGENUQVQV-JQWIXIFHSA-N 1 2 317.216 2.825 20 30 DFEDLO CC[N@@H+](Cc1ccncc1C#N)C[C@H]1COc2ccccc2O1 ZINC000592059569 398378387 /nfs/dbraw/zinc/37/83/87/398378387.db2.gz UCSPSOBEPPUXRI-INIZCTEOSA-N 1 2 309.369 2.615 20 30 DFEDLO CC[N@H+](Cc1ccncc1C#N)C[C@H]1COc2ccccc2O1 ZINC000592059569 398378388 /nfs/dbraw/zinc/37/83/88/398378388.db2.gz UCSPSOBEPPUXRI-INIZCTEOSA-N 1 2 309.369 2.615 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCCC[C@@H]3C#N)cn21 ZINC000596291486 398378408 /nfs/dbraw/zinc/37/84/08/398378408.db2.gz YEQAVNZYVQSLRO-UKRRQHHQSA-N 1 2 311.389 2.524 20 30 DFEDLO CCc1cc2c(C[N@H+](C)C[C@@H](C)C#N)cc(=O)oc2cc1O ZINC000066470184 398379726 /nfs/dbraw/zinc/37/97/26/398379726.db2.gz VUEYMQLKIPTZQC-NSHDSACASA-N 1 2 300.358 2.652 20 30 DFEDLO CCc1cc2c(C[N@@H+](C)C[C@@H](C)C#N)cc(=O)oc2cc1O ZINC000066470184 398379727 /nfs/dbraw/zinc/37/97/27/398379727.db2.gz VUEYMQLKIPTZQC-NSHDSACASA-N 1 2 300.358 2.652 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000592071375 398380077 /nfs/dbraw/zinc/38/00/77/398380077.db2.gz IHHWIWQFGRSBRE-GOSISDBHSA-N 1 2 315.417 2.503 20 30 DFEDLO N#CCCC1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000579587859 398382072 /nfs/dbraw/zinc/38/20/72/398382072.db2.gz ZARNZZZAIRIXPC-UHFFFAOYSA-N 1 2 300.328 2.961 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000579589147 398382183 /nfs/dbraw/zinc/38/21/83/398382183.db2.gz ZBXAJSXIZUGQJP-INIZCTEOSA-N 1 2 307.846 2.899 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000579589147 398382185 /nfs/dbraw/zinc/38/21/85/398382185.db2.gz ZBXAJSXIZUGQJP-INIZCTEOSA-N 1 2 307.846 2.899 20 30 DFEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592105209 398384544 /nfs/dbraw/zinc/38/45/44/398384544.db2.gz NTXMIHOJHDOCGE-LLVKDONJSA-N 1 2 315.348 2.960 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245403696 398383972 /nfs/dbraw/zinc/38/39/72/398383972.db2.gz MPYSHRQRYWDENY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245403696 398383974 /nfs/dbraw/zinc/38/39/74/398383974.db2.gz MPYSHRQRYWDENY-AEFFLSMTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000579906869 398383990 /nfs/dbraw/zinc/38/39/90/398383990.db2.gz SQBZUZIEMKKYJG-HUUCEWRRSA-N 1 2 302.422 2.819 20 30 DFEDLO Cc1cccc(CC2(O)CC[NH+](Cc3ccncc3C#N)CC2)c1 ZINC000592120886 398386481 /nfs/dbraw/zinc/38/64/81/398386481.db2.gz IFIWDQMQMISVOA-UHFFFAOYSA-N 1 2 321.424 2.831 20 30 DFEDLO N#Cc1cnccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000592116380 398386546 /nfs/dbraw/zinc/38/65/46/398386546.db2.gz KYZVRSRBTSBEJK-UHFFFAOYSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000581187278 398388599 /nfs/dbraw/zinc/38/85/99/398388599.db2.gz RFHNYRUQHYVJDE-YJYMSZOUSA-N 1 2 322.412 2.894 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1Cl ZINC000581226424 398389038 /nfs/dbraw/zinc/38/90/38/398389038.db2.gz BORGJQCHPQQKNO-ZDUSSCGKSA-N 1 2 300.189 2.567 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1C(=O)OC(C)(C)C ZINC000592134772 398389230 /nfs/dbraw/zinc/38/92/30/398389230.db2.gz JQHXZFSSPSIQTI-DGCLKSJQSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C(=O)OC(C)(C)C ZINC000592134772 398389233 /nfs/dbraw/zinc/38/92/33/398389233.db2.gz JQHXZFSSPSIQTI-DGCLKSJQSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000592134865 398389627 /nfs/dbraw/zinc/38/96/27/398389627.db2.gz OSPVXZQXSUYLPD-CZUORRHYSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000592134865 398389630 /nfs/dbraw/zinc/38/96/30/398389630.db2.gz OSPVXZQXSUYLPD-CZUORRHYSA-N 1 2 315.417 2.753 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581429916 398390675 /nfs/dbraw/zinc/39/06/75/398390675.db2.gz PFAZKGLPYKIGGJ-IBGZPJMESA-N 1 2 322.408 2.935 20 30 DFEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151805 398392038 /nfs/dbraw/zinc/39/20/38/398392038.db2.gz RLMJZIBTVPGBNJ-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151805 398392042 /nfs/dbraw/zinc/39/20/42/398392042.db2.gz RLMJZIBTVPGBNJ-HNNXBMFYSA-N 1 2 303.387 2.562 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000592151128 398392375 /nfs/dbraw/zinc/39/23/75/398392375.db2.gz MFJARFMFNZREMH-CQSZACIVSA-N 1 2 305.428 2.722 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000592151128 398392379 /nfs/dbraw/zinc/39/23/79/398392379.db2.gz MFJARFMFNZREMH-CQSZACIVSA-N 1 2 305.428 2.722 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000084072745 398392728 /nfs/dbraw/zinc/39/27/28/398392728.db2.gz VVRYLFYOXRYUDB-HNNXBMFYSA-N 1 2 322.393 2.873 20 30 DFEDLO C=CCCSCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000596413266 398406982 /nfs/dbraw/zinc/40/69/82/398406982.db2.gz IAJHELROVULTSE-UHFFFAOYSA-N 1 2 300.431 2.990 20 30 DFEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000596428002 398409442 /nfs/dbraw/zinc/40/94/42/398409442.db2.gz GJZOOWZIFUQVLX-KGLIPLIRSA-N 1 2 316.449 2.772 20 30 DFEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000596428002 398409447 /nfs/dbraw/zinc/40/94/47/398409447.db2.gz GJZOOWZIFUQVLX-KGLIPLIRSA-N 1 2 316.449 2.772 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H]1c1ccc(F)cc1 ZINC000596440689 398412919 /nfs/dbraw/zinc/41/29/19/398412919.db2.gz LCPMCNOUXHKEGZ-HNNXBMFYSA-N 1 2 322.347 2.830 20 30 DFEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000022136167 398416907 /nfs/dbraw/zinc/41/69/07/398416907.db2.gz PYPXCKDBWUUGBU-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO CCCCc1nc(CO[NH+]=C(N)c2cccc(Cl)c2)no1 ZINC000067097773 398417197 /nfs/dbraw/zinc/41/71/97/398417197.db2.gz VTLOYNJQSMHINK-UHFFFAOYSA-N 1 2 308.769 2.903 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286718994 219126497 /nfs/dbraw/zinc/12/64/97/219126497.db2.gz XEDFDARCEJPTMT-JSGCOSHPSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286718994 219126500 /nfs/dbraw/zinc/12/65/00/219126500.db2.gz XEDFDARCEJPTMT-JSGCOSHPSA-N 1 2 316.298 2.690 20 30 DFEDLO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000026323246 398452078 /nfs/dbraw/zinc/45/20/78/398452078.db2.gz POSGNIAYLBFGGD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000026323246 398452083 /nfs/dbraw/zinc/45/20/83/398452083.db2.gz POSGNIAYLBFGGD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000586778222 398457412 /nfs/dbraw/zinc/45/74/12/398457412.db2.gz ZDMLRFGYULPGPE-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000586778222 398457416 /nfs/dbraw/zinc/45/74/16/398457416.db2.gz ZDMLRFGYULPGPE-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000586806957 398463313 /nfs/dbraw/zinc/46/33/13/398463313.db2.gz XFXAPEBXCUFIBI-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)n1 ZINC000588018600 398477510 /nfs/dbraw/zinc/47/75/10/398477510.db2.gz WDEYVHZZNQMOMV-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO C=CCCSCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000596716047 398484432 /nfs/dbraw/zinc/48/44/32/398484432.db2.gz CXWHUVFQMQCFMH-LSDHHAIUSA-N 1 2 322.478 2.785 20 30 DFEDLO C=CCCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000280138553 334962498 /nfs/dbraw/zinc/96/24/98/334962498.db2.gz QTRINVBMVHGJGC-UHFFFAOYSA-N 1 2 302.422 2.837 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000091066740 398506736 /nfs/dbraw/zinc/50/67/36/398506736.db2.gz FALZUQORWWOLTR-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000091066740 398506740 /nfs/dbraw/zinc/50/67/40/398506740.db2.gz FALZUQORWWOLTR-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1sccc1C#N ZINC000589127130 398527958 /nfs/dbraw/zinc/52/79/58/398527958.db2.gz DHXKQWZRRFXIKC-GFCCVEGCSA-N 1 2 300.387 2.721 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCCC[C@H]1c1c[nH+]cn1C ZINC000589127922 398529085 /nfs/dbraw/zinc/52/90/85/398529085.db2.gz QWIDVRYJUNEBFO-INIZCTEOSA-N 1 2 308.385 2.968 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058074 398533803 /nfs/dbraw/zinc/53/38/03/398533803.db2.gz IUOWBSWWVUZCKW-HUUCEWRRSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058074 398533807 /nfs/dbraw/zinc/53/38/07/398533807.db2.gz IUOWBSWWVUZCKW-HUUCEWRRSA-N 1 2 303.362 2.856 20 30 DFEDLO N#Cc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091506111 398534907 /nfs/dbraw/zinc/53/49/07/398534907.db2.gz IGWFJEOENIGDOO-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO Cc1[nH+]cc(CN2CCC(Oc3cccc(C#N)c3)CC2)n1C ZINC000596987372 398541514 /nfs/dbraw/zinc/54/15/14/398541514.db2.gz DHGMMSXGRPLGIN-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000589287546 398543077 /nfs/dbraw/zinc/54/30/77/398543077.db2.gz LQGUKOIBPXPBRQ-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012986 398547027 /nfs/dbraw/zinc/54/70/27/398547027.db2.gz GTOXIDGQQSJWHS-YPENRWOSSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012986 398547031 /nfs/dbraw/zinc/54/70/31/398547031.db2.gz GTOXIDGQQSJWHS-YPENRWOSSA-N 1 2 302.443 2.583 20 30 DFEDLO Cn1cc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cn1 ZINC000597015148 398548011 /nfs/dbraw/zinc/54/80/11/398548011.db2.gz WDWWAGHFSFHXJZ-GOSISDBHSA-N 1 2 322.412 2.549 20 30 DFEDLO Cn1cc([C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cn1 ZINC000597015148 398548013 /nfs/dbraw/zinc/54/80/13/398548013.db2.gz WDWWAGHFSFHXJZ-GOSISDBHSA-N 1 2 322.412 2.549 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(F)(F)F)cn2)n1 ZINC000279744113 215109557 /nfs/dbraw/zinc/10/95/57/215109557.db2.gz PERCOJAAKYOUCB-UHFFFAOYSA-N 1 2 322.334 2.952 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(F)(F)F)cn2)n1 ZINC000279744113 215109560 /nfs/dbraw/zinc/10/95/60/215109560.db2.gz PERCOJAAKYOUCB-UHFFFAOYSA-N 1 2 322.334 2.952 20 30 DFEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593122295 398551841 /nfs/dbraw/zinc/55/18/41/398551841.db2.gz FQQUZJWICVQQES-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593122295 398551844 /nfs/dbraw/zinc/55/18/44/398551844.db2.gz FQQUZJWICVQQES-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000589487617 398555943 /nfs/dbraw/zinc/55/59/43/398555943.db2.gz YGLANWSSQLSTJH-IBGZPJMESA-N 1 2 322.412 2.626 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000589571024 398560909 /nfs/dbraw/zinc/56/09/09/398560909.db2.gz WQXQYLOCMJGBBV-CQSZACIVSA-N 1 2 311.345 2.932 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000069355476 398566154 /nfs/dbraw/zinc/56/61/54/398566154.db2.gz CIHIWGBZCZGIIF-HNNXBMFYSA-N 1 2 317.433 2.669 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000597113638 398568282 /nfs/dbraw/zinc/56/82/82/398568282.db2.gz QCFXBTPORBWIBI-GFENJXEQSA-N 1 2 302.443 2.583 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000597113638 398568284 /nfs/dbraw/zinc/56/82/84/398568284.db2.gz QCFXBTPORBWIBI-GFENJXEQSA-N 1 2 302.443 2.583 20 30 DFEDLO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C[C@H](C)OC ZINC000589753365 398574435 /nfs/dbraw/zinc/57/44/35/398574435.db2.gz PTBVZWLHSLDYQS-AWEZNQCLSA-N 1 2 312.417 2.909 20 30 DFEDLO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C[C@H](C)OC ZINC000589753365 398574437 /nfs/dbraw/zinc/57/44/37/398574437.db2.gz PTBVZWLHSLDYQS-AWEZNQCLSA-N 1 2 312.417 2.909 20 30 DFEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)c1C#N ZINC000287036110 219280503 /nfs/dbraw/zinc/28/05/03/219280503.db2.gz WGEHGXPEFZKXEH-ZDUSSCGKSA-N 1 2 313.430 2.601 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1OCCCC#N ZINC000597171660 398581599 /nfs/dbraw/zinc/58/15/99/398581599.db2.gz ZLRVNPPOFQNLCK-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1OCCCC#N ZINC000597171660 398581602 /nfs/dbraw/zinc/58/16/02/398581602.db2.gz ZLRVNPPOFQNLCK-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1OCCCC#N ZINC000597171660 398581603 /nfs/dbraw/zinc/58/16/03/398581603.db2.gz ZLRVNPPOFQNLCK-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1OCCCC#N ZINC000597171660 398581606 /nfs/dbraw/zinc/58/16/06/398581606.db2.gz ZLRVNPPOFQNLCK-UHFFFAOYSA-N 1 2 314.389 2.733 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000597189954 398586010 /nfs/dbraw/zinc/58/60/10/398586010.db2.gz FGWFDMSCPRREQE-HQVVEAJESA-N 1 2 316.401 2.971 20 30 DFEDLO COc1cccc([C@@H](CO)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000589990834 398588035 /nfs/dbraw/zinc/58/80/35/398588035.db2.gz NUKVRXRLIQDXPW-QGZVFWFLSA-N 1 2 300.333 2.529 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000287076227 219298093 /nfs/dbraw/zinc/29/80/93/219298093.db2.gz TWKSVKCPMYGGEM-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO N#CCC1C[NH+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000597204545 398590395 /nfs/dbraw/zinc/59/03/95/398590395.db2.gz ZYRORXGPJPXOSH-UHFFFAOYSA-N 1 2 305.809 2.522 20 30 DFEDLO CCOC(=O)C1(C)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000092825075 398602350 /nfs/dbraw/zinc/60/23/50/398602350.db2.gz ODPIXPLMYMLOGS-UHFFFAOYSA-N 1 2 304.365 2.863 20 30 DFEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000350338358 398603245 /nfs/dbraw/zinc/60/32/45/398603245.db2.gz YTCDDTSTLSQAPE-CVEARBPZSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000350338358 398603247 /nfs/dbraw/zinc/60/32/47/398603247.db2.gz YTCDDTSTLSQAPE-CVEARBPZSA-N 1 2 324.384 2.728 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000593388705 398616693 /nfs/dbraw/zinc/61/66/93/398616693.db2.gz JTZJHDWEHSMSFO-CQSZACIVSA-N 1 2 305.809 2.534 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CC1(C#N)CC1)CCCC2 ZINC000590345362 398615254 /nfs/dbraw/zinc/61/52/54/398615254.db2.gz VKLRYGVDUSDYTQ-HNNXBMFYSA-N 1 2 312.417 2.656 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000593416931 398622648 /nfs/dbraw/zinc/62/26/48/398622648.db2.gz FISNWLVQRVEBLV-NWDGAFQWSA-N 1 2 306.435 2.863 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000593416931 398622652 /nfs/dbraw/zinc/62/26/52/398622652.db2.gz FISNWLVQRVEBLV-NWDGAFQWSA-N 1 2 306.435 2.863 20 30 DFEDLO CC(C)(C)[C@@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597351059 398626537 /nfs/dbraw/zinc/62/65/37/398626537.db2.gz OMJKSWJXHHEWNK-HUUCEWRRSA-N 1 2 310.401 2.986 20 30 DFEDLO C[C@H](CC#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000597361639 398629134 /nfs/dbraw/zinc/62/91/34/398629134.db2.gz GLQNJYVAPHGCOB-OAHLLOKOSA-N 1 2 310.401 2.682 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)n2c1 ZINC000093438112 398637161 /nfs/dbraw/zinc/63/71/61/398637161.db2.gz MPESEYDOBHLQFY-INIZCTEOSA-N 1 2 306.373 2.656 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)n2c1 ZINC000093438112 398637163 /nfs/dbraw/zinc/63/71/63/398637163.db2.gz MPESEYDOBHLQFY-INIZCTEOSA-N 1 2 306.373 2.656 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C#N)CC)CC2)s1 ZINC000593481219 398642108 /nfs/dbraw/zinc/64/21/08/398642108.db2.gz YRFFBLYCTOZQAP-ZDUSSCGKSA-N 1 2 305.447 2.504 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000590638917 398643662 /nfs/dbraw/zinc/64/36/62/398643662.db2.gz ROWYTEYVJHSDRY-UHFFFAOYSA-N 1 2 316.380 2.588 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000590638917 398643666 /nfs/dbraw/zinc/64/36/66/398643666.db2.gz ROWYTEYVJHSDRY-UHFFFAOYSA-N 1 2 316.380 2.588 20 30 DFEDLO COCCN(C)c1ccc(CNc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000191841779 186261819 /nfs/dbraw/zinc/26/18/19/186261819.db2.gz MBTNTRCQFFDYAJ-UHFFFAOYSA-N 1 2 314.364 2.787 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC000072978301 398652341 /nfs/dbraw/zinc/65/23/41/398652341.db2.gz HOCZWANOQBLBGQ-KRWDZBQOSA-N 1 2 320.396 2.865 20 30 DFEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC000072978301 398652345 /nfs/dbraw/zinc/65/23/45/398652345.db2.gz HOCZWANOQBLBGQ-KRWDZBQOSA-N 1 2 320.396 2.865 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cnccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000094136635 398654236 /nfs/dbraw/zinc/65/42/36/398654236.db2.gz QNVPVXZYKOKKAL-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO CC(C)[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]1C(C)C ZINC000590723367 398658975 /nfs/dbraw/zinc/65/89/75/398658975.db2.gz RHLUBDUJBAGDJK-LSDHHAIUSA-N 1 2 312.421 2.857 20 30 DFEDLO C[C@]12CN(c3[nH+]cnc4c3cnn4CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590737999 398662357 /nfs/dbraw/zinc/66/23/57/398662357.db2.gz KZSORNNSBHZUJW-ZFHGCVPZSA-N 1 2 322.416 2.612 20 30 DFEDLO COc1cc(C[NH2+]CC2(C#N)CCCC2)c([N+](=O)[O-])cc1OC ZINC000593649436 398666169 /nfs/dbraw/zinc/66/61/69/398666169.db2.gz DEGDLZOECHYIKS-UHFFFAOYSA-N 1 2 319.361 2.786 20 30 DFEDLO N#Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000045217006 398666375 /nfs/dbraw/zinc/66/63/75/398666375.db2.gz NHHHVVBIANEBDX-UHFFFAOYSA-N 1 2 302.337 2.674 20 30 DFEDLO N#CC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000593650434 398666015 /nfs/dbraw/zinc/66/60/15/398666015.db2.gz RXEBPBOMJPHWPF-UHFFFAOYSA-N 1 2 317.345 2.540 20 30 DFEDLO N#CC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCC1 ZINC000045262714 398668622 /nfs/dbraw/zinc/66/86/22/398668622.db2.gz MBHPCVHMVUADKD-UHFFFAOYSA-N 1 2 302.765 2.688 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000590761769 398668949 /nfs/dbraw/zinc/66/89/49/398668949.db2.gz LEMBMFVNTOOHED-OAHLLOKOSA-N 1 2 311.389 2.779 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000597656887 398675109 /nfs/dbraw/zinc/67/51/09/398675109.db2.gz NJTNHQNODOKHCT-YJBOKZPZSA-N 1 2 322.412 2.767 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000597656887 398675112 /nfs/dbraw/zinc/67/51/12/398675112.db2.gz NJTNHQNODOKHCT-YJBOKZPZSA-N 1 2 322.412 2.767 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000173219750 198197371 /nfs/dbraw/zinc/19/73/71/198197371.db2.gz JKNLLESLEIXGGP-DTWKUNHWSA-N 1 2 321.368 2.893 20 30 DFEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173860624 198261132 /nfs/dbraw/zinc/26/11/32/198261132.db2.gz RJJYXJRFVBWVES-LBPRGKRZSA-N 1 2 309.460 2.632 20 30 DFEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173860624 198261134 /nfs/dbraw/zinc/26/11/34/198261134.db2.gz RJJYXJRFVBWVES-LBPRGKRZSA-N 1 2 309.460 2.632 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597784542 398695237 /nfs/dbraw/zinc/69/52/37/398695237.db2.gz HPYYDYMKEBZOGE-GOEBONIOSA-N 1 2 320.396 2.580 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597784542 398695241 /nfs/dbraw/zinc/69/52/41/398695241.db2.gz HPYYDYMKEBZOGE-GOEBONIOSA-N 1 2 320.396 2.580 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000593952956 398707147 /nfs/dbraw/zinc/70/71/47/398707147.db2.gz WAFVSTPSYNLDFA-INIZCTEOSA-N 1 2 314.364 2.849 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCC#N)c1cccc(F)c1 ZINC000593953150 398707282 /nfs/dbraw/zinc/70/72/82/398707282.db2.gz YSKGEPCFVVFEHP-INIZCTEOSA-N 1 2 314.364 2.849 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000590959267 398707848 /nfs/dbraw/zinc/70/78/48/398707848.db2.gz QIOKAFINGZCDPS-MWLCHTKSSA-N 1 2 314.414 2.667 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000593969894 398710497 /nfs/dbraw/zinc/71/04/97/398710497.db2.gz FMYYOPYVGIDXPM-CYBMUJFWSA-N 1 2 315.377 2.922 20 30 DFEDLO C#CCCCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281303052 334979883 /nfs/dbraw/zinc/97/98/83/334979883.db2.gz XFIMKGHGSDWVDH-OAHLLOKOSA-N 1 2 302.422 2.943 20 30 DFEDLO C=CC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000111448582 398727846 /nfs/dbraw/zinc/72/78/46/398727846.db2.gz YPWVCEMBTVAZBH-UHFFFAOYSA-N 1 2 314.433 2.789 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1CCC(C(F)F)CC1 ZINC000591178801 398736188 /nfs/dbraw/zinc/73/61/88/398736188.db2.gz ZJIUIVAMZCQSEI-UHFFFAOYSA-N 1 2 320.347 2.976 20 30 DFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615584 191331145 /nfs/dbraw/zinc/33/11/45/191331145.db2.gz FDNCOCCCMRNYIY-ZDUSSCGKSA-N 1 2 318.380 2.988 20 30 DFEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615584 191331146 /nfs/dbraw/zinc/33/11/46/191331146.db2.gz FDNCOCCCMRNYIY-ZDUSSCGKSA-N 1 2 318.380 2.988 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C(=O)OC ZINC000591260447 398742962 /nfs/dbraw/zinc/74/29/62/398742962.db2.gz AQKJLVQBTJWRKP-CJNGLKHVSA-N 1 2 323.820 2.531 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000186989948 283094095 /nfs/dbraw/zinc/09/40/95/283094095.db2.gz CWEGKUZTXFREJG-OAHLLOKOSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000186989948 283094096 /nfs/dbraw/zinc/09/40/96/283094096.db2.gz CWEGKUZTXFREJG-OAHLLOKOSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120225278 283097938 /nfs/dbraw/zinc/09/79/38/283097938.db2.gz CJPBATPGJZWKND-UHFFFAOYSA-N 1 2 315.392 2.674 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000598075109 398748478 /nfs/dbraw/zinc/74/84/78/398748478.db2.gz MWLUGZRZQCNMSD-SJORKVTESA-N 1 2 308.385 2.744 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000047417454 398748752 /nfs/dbraw/zinc/74/87/52/398748752.db2.gz HYMNYJUPSYJQTK-UHFFFAOYSA-N 1 2 320.396 2.874 20 30 DFEDLO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)nn1 ZINC000591616972 398777132 /nfs/dbraw/zinc/77/71/32/398777132.db2.gz ZGPWDKNFSJFWBG-KRWDZBQOSA-N 1 2 307.401 2.751 20 30 DFEDLO CN(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)nn1 ZINC000591616972 398777136 /nfs/dbraw/zinc/77/71/36/398777136.db2.gz ZGPWDKNFSJFWBG-KRWDZBQOSA-N 1 2 307.401 2.751 20 30 DFEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cs1 ZINC000184719872 199756155 /nfs/dbraw/zinc/75/61/55/199756155.db2.gz DMMTZZAAVKZBKQ-VIFPVBQESA-N 1 2 320.443 2.928 20 30 DFEDLO N#Cc1cccc(C2([NH2+]Cc3nnc([C@H]4CCCOC4)o3)CC2)c1 ZINC000591704499 398781899 /nfs/dbraw/zinc/78/18/99/398781899.db2.gz ZWVVYKPWHYYQLK-AWEZNQCLSA-N 1 2 324.384 2.614 20 30 DFEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000301065594 283243009 /nfs/dbraw/zinc/24/30/09/283243009.db2.gz DBMTUESPACKDEX-UHFFFAOYSA-N 1 2 315.380 2.828 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C[C@H](C)C#N ZINC000049982406 398801347 /nfs/dbraw/zinc/80/13/47/398801347.db2.gz KLOBIGRNYZXFGL-CRAIPNDOSA-N 1 2 301.434 2.981 20 30 DFEDLO CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C[C@H](C)C#N ZINC000049982406 398801351 /nfs/dbraw/zinc/80/13/51/398801351.db2.gz KLOBIGRNYZXFGL-CRAIPNDOSA-N 1 2 301.434 2.981 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179500038 199046096 /nfs/dbraw/zinc/04/60/96/199046096.db2.gz BEDVIPKMPXARON-MRXNPFEDSA-N 1 2 307.401 2.933 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179500038 199046098 /nfs/dbraw/zinc/04/60/98/199046098.db2.gz BEDVIPKMPXARON-MRXNPFEDSA-N 1 2 307.401 2.933 20 30 DFEDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1F ZINC000594511866 398813509 /nfs/dbraw/zinc/81/35/09/398813509.db2.gz QZKTZRXTRZVKPA-HZMBPMFUSA-N 1 2 315.352 2.518 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000052182846 398833920 /nfs/dbraw/zinc/83/39/20/398833920.db2.gz BYGNFDJHZWDQKO-UHFFFAOYSA-N 1 2 314.429 2.860 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000052182846 398833924 /nfs/dbraw/zinc/83/39/24/398833924.db2.gz BYGNFDJHZWDQKO-UHFFFAOYSA-N 1 2 314.429 2.860 20 30 DFEDLO N#CC1(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCCC1 ZINC000594658744 398838886 /nfs/dbraw/zinc/83/88/86/398838886.db2.gz ZYVCKBDQEFJWII-UHFFFAOYSA-N 1 2 313.380 2.791 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCCCC1 ZINC000598624264 398842922 /nfs/dbraw/zinc/84/29/22/398842922.db2.gz YLXYGUSPKDWFGD-CVEARBPZSA-N 1 2 324.465 2.779 20 30 DFEDLO CC[N@H+](Cc1cccc(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152827430 283341117 /nfs/dbraw/zinc/34/11/17/283341117.db2.gz KEIKGHNDABGDPR-KRWDZBQOSA-N 1 2 311.360 2.746 20 30 DFEDLO CC[N@@H+](Cc1cccc(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152827430 283341121 /nfs/dbraw/zinc/34/11/21/283341121.db2.gz KEIKGHNDABGDPR-KRWDZBQOSA-N 1 2 311.360 2.746 20 30 DFEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000052869474 398854094 /nfs/dbraw/zinc/85/40/94/398854094.db2.gz ZKDPYKAXMOJFKG-UHFFFAOYSA-N 1 2 315.373 2.928 20 30 DFEDLO CC(C)(C#N)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000598700916 398857672 /nfs/dbraw/zinc/85/76/72/398857672.db2.gz ROTPGUFWTCHIRJ-CQSZACIVSA-N 1 2 314.345 2.759 20 30 DFEDLO CCN(CCC#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000138362705 398877706 /nfs/dbraw/zinc/87/77/06/398877706.db2.gz DKCHMVHDAYSWQQ-UHFFFAOYSA-N 1 2 321.450 2.896 20 30 DFEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ncnn21 ZINC000594957128 398881406 /nfs/dbraw/zinc/88/14/06/398881406.db2.gz NBCRNKPIJYRROH-CZUORRHYSA-N 1 2 311.389 2.756 20 30 DFEDLO N#Cc1cccc(NCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000153375553 283365439 /nfs/dbraw/zinc/36/54/39/283365439.db2.gz ZPQLJKQALASMST-UHFFFAOYSA-N 1 2 317.352 2.795 20 30 DFEDLO C=CCN(CCc1ccccc1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077213489 398888522 /nfs/dbraw/zinc/88/85/22/398888522.db2.gz MRSCGGWCOZINFE-UHFFFAOYSA-N 1 2 305.385 2.897 20 30 DFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1cccc(C#N)c1 ZINC000598950766 398896194 /nfs/dbraw/zinc/89/61/94/398896194.db2.gz USQJNSJNGZTHJR-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000598950766 398896198 /nfs/dbraw/zinc/89/61/98/398896198.db2.gz USQJNSJNGZTHJR-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C#C[C@H](NC(=O)NCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000282047969 334988784 /nfs/dbraw/zinc/98/87/84/334988784.db2.gz ARKNTQDWRVTQAJ-HNNXBMFYSA-N 1 2 312.417 2.692 20 30 DFEDLO CN(C)C(=O)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187466354 200116091 /nfs/dbraw/zinc/11/60/91/200116091.db2.gz RVTFRDJBZZGMIZ-UHFFFAOYSA-N 1 2 319.836 2.902 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000187684480 200144056 /nfs/dbraw/zinc/14/40/56/200144056.db2.gz CVFAEFAVRWMPLC-MAUKXSAKSA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000187684480 200144057 /nfs/dbraw/zinc/14/40/57/200144057.db2.gz CVFAEFAVRWMPLC-MAUKXSAKSA-N 1 2 310.401 2.525 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595288327 398916124 /nfs/dbraw/zinc/91/61/24/398916124.db2.gz YVBLNDXCJCPLSN-IBGZPJMESA-N 1 2 320.392 2.701 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595288327 398916127 /nfs/dbraw/zinc/91/61/27/398916127.db2.gz YVBLNDXCJCPLSN-IBGZPJMESA-N 1 2 320.392 2.701 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000188917201 200321337 /nfs/dbraw/zinc/32/13/37/200321337.db2.gz QCASTCHAGPMRIE-QGZVFWFLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000188917201 200321338 /nfs/dbraw/zinc/32/13/38/200321338.db2.gz QCASTCHAGPMRIE-QGZVFWFLSA-N 1 2 316.445 2.573 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cncs2)CC1 ZINC000595428901 398936867 /nfs/dbraw/zinc/93/68/67/398936867.db2.gz PJHULVMVCANXGB-MRXNPFEDSA-N 1 2 316.405 2.665 20 30 DFEDLO CCCC[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000154069378 398939913 /nfs/dbraw/zinc/93/99/13/398939913.db2.gz MPEYKSHWZOJZAE-UHFFFAOYSA-N 1 2 312.417 2.647 20 30 DFEDLO CCCC[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000154069378 398939916 /nfs/dbraw/zinc/93/99/16/398939916.db2.gz MPEYKSHWZOJZAE-UHFFFAOYSA-N 1 2 312.417 2.647 20 30 DFEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000595449111 398941196 /nfs/dbraw/zinc/94/11/96/398941196.db2.gz NCTCBKUGDKUGNK-MJGOQNOKSA-N 1 2 303.365 2.847 20 30 DFEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000595449111 398941199 /nfs/dbraw/zinc/94/11/99/398941199.db2.gz NCTCBKUGDKUGNK-MJGOQNOKSA-N 1 2 303.365 2.847 20 30 DFEDLO N#CCN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000078207348 398942323 /nfs/dbraw/zinc/94/23/23/398942323.db2.gz IGVOJGDALSUFQZ-HNNXBMFYSA-N 1 2 312.417 2.593 20 30 DFEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1[C@H](C#N)c1ccc(Cl)cc1 ZINC000595494433 398949742 /nfs/dbraw/zinc/94/97/42/398949742.db2.gz YMBHFHGWDGIGDL-XOKHGSTOSA-N 1 2 319.836 2.700 20 30 DFEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(F)c(C#N)c2)n1 ZINC000595521208 398956066 /nfs/dbraw/zinc/95/60/66/398956066.db2.gz XZFKDVJGELIAFT-UHFFFAOYSA-N 1 2 300.337 2.526 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1C#N ZINC000599339911 398955974 /nfs/dbraw/zinc/95/59/74/398955974.db2.gz XYGBVIKXKPKAFB-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1C#N ZINC000599339911 398955977 /nfs/dbraw/zinc/95/59/77/398955977.db2.gz XYGBVIKXKPKAFB-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1C#N ZINC000599337596 398956483 /nfs/dbraw/zinc/95/64/83/398956483.db2.gz YQTAXFJPTBBOIU-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1C#N ZINC000599337596 398956485 /nfs/dbraw/zinc/95/64/85/398956485.db2.gz YQTAXFJPTBBOIU-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO CCC[N@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000281420785 216287936 /nfs/dbraw/zinc/28/79/36/216287936.db2.gz HZXKQRRDFAXZLZ-UHFFFAOYSA-N 1 2 301.369 2.531 20 30 DFEDLO CCC[N@@H+](Cc1ncnn1CCF)Cc1ccc(C#N)cc1 ZINC000281420785 216287940 /nfs/dbraw/zinc/28/79/40/216287940.db2.gz HZXKQRRDFAXZLZ-UHFFFAOYSA-N 1 2 301.369 2.531 20 30 DFEDLO C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1[nH+]ccn1C ZINC000595568852 398976956 /nfs/dbraw/zinc/97/69/56/398976956.db2.gz VXEGZPLIHKFMCO-DZGCQCFKSA-N 1 2 311.389 2.825 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)s1 ZINC000599440419 398983897 /nfs/dbraw/zinc/98/38/97/398983897.db2.gz SQUIJLSQGDCSGV-LLVKDONJSA-N 1 2 315.398 2.961 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611882 398999636 /nfs/dbraw/zinc/99/96/36/398999636.db2.gz OIYNVLKMHGCEGA-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611882 398999643 /nfs/dbraw/zinc/99/96/43/398999643.db2.gz OIYNVLKMHGCEGA-VXGBXAGGSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611963 398998623 /nfs/dbraw/zinc/99/86/23/398998623.db2.gz QMMGAILKLXTBPN-RYUDHWBXSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611963 398998632 /nfs/dbraw/zinc/99/86/32/398998632.db2.gz QMMGAILKLXTBPN-RYUDHWBXSA-N 1 2 307.344 2.917 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000595615980 399002878 /nfs/dbraw/zinc/00/28/78/399002878.db2.gz OZDMKHMQFAHRJV-KRWDZBQOSA-N 1 2 309.369 2.557 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000595619770 399004336 /nfs/dbraw/zinc/00/43/36/399004336.db2.gz GUYKDPRZNWDRED-LBPRGKRZSA-N 1 2 314.414 2.860 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000595619770 399004340 /nfs/dbraw/zinc/00/43/40/399004340.db2.gz GUYKDPRZNWDRED-LBPRGKRZSA-N 1 2 314.414 2.860 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630526 399010554 /nfs/dbraw/zinc/01/05/54/399010554.db2.gz YXZLZIVWPMGVRY-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)NCC2(C#N)CCCCC2)c2[nH+]ccn21 ZINC000595645167 399017275 /nfs/dbraw/zinc/01/72/75/399017275.db2.gz VYKOUFTXURUWLN-QWHCGFSZSA-N 1 2 301.394 2.662 20 30 DFEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000595657545 399023301 /nfs/dbraw/zinc/02/33/01/399023301.db2.gz NCQYSMPWICRGFV-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000595657545 399023306 /nfs/dbraw/zinc/02/33/06/399023306.db2.gz NCQYSMPWICRGFV-UHFFFAOYSA-N 1 2 305.381 2.864 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)NCc3cccc(C#N)c3)cn2c1 ZINC000057224691 399027232 /nfs/dbraw/zinc/02/72/32/399027232.db2.gz MGPCELRZHFBHLZ-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674741 399029108 /nfs/dbraw/zinc/02/91/08/399029108.db2.gz KSICQIQDYSJOIX-QGZVFWFLSA-N 1 2 315.417 2.959 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674741 399029110 /nfs/dbraw/zinc/02/91/10/399029110.db2.gz KSICQIQDYSJOIX-QGZVFWFLSA-N 1 2 315.417 2.959 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)/C=C/c3ccc(C#N)cc3)cn2c1 ZINC000057267848 399029312 /nfs/dbraw/zinc/02/93/12/399029312.db2.gz RJDUJJZLLMXPAK-VQHVLOKHSA-N 1 2 316.364 2.844 20 30 DFEDLO CC(C)(C#N)CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315359 399032175 /nfs/dbraw/zinc/03/21/75/399032175.db2.gz MAUIBEDFJNSWKW-CQSZACIVSA-N 1 2 300.337 2.694 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595679217 399031756 /nfs/dbraw/zinc/03/17/56/399031756.db2.gz CFXLRNUSHNFXRP-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595679217 399031762 /nfs/dbraw/zinc/03/17/62/399031762.db2.gz CFXLRNUSHNFXRP-CYBMUJFWSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000057374108 399034483 /nfs/dbraw/zinc/03/44/83/399034483.db2.gz VRXLBVNEAAKJCO-AWEZNQCLSA-N 1 2 311.389 2.595 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000091891205 193122509 /nfs/dbraw/zinc/12/25/09/193122509.db2.gz UHOPBMWFEIZBEX-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000091891205 193122511 /nfs/dbraw/zinc/12/25/11/193122511.db2.gz UHOPBMWFEIZBEX-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000595694411 399037543 /nfs/dbraw/zinc/03/75/43/399037543.db2.gz XYDKYIDHUPCTTA-OCCSQVGLSA-N 1 2 321.446 2.809 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)c1nnnn1C1CCCCC1 ZINC000595694524 399037774 /nfs/dbraw/zinc/03/77/74/399037774.db2.gz OCTNGGBXTUDFOQ-YDHLFZDLSA-N 1 2 302.426 2.911 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)sc1C ZINC000595704055 399046242 /nfs/dbraw/zinc/04/62/42/399046242.db2.gz PUZLAHIDVYHUDD-WCFLWFBJSA-N 1 2 306.435 2.759 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000595700298 399042551 /nfs/dbraw/zinc/04/25/51/399042551.db2.gz YTSARDXFWWUCDF-RYUDHWBXSA-N 1 2 323.343 2.898 20 30 DFEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOc1cccc(C#N)c1 ZINC000599649773 399043003 /nfs/dbraw/zinc/04/30/03/399043003.db2.gz PBQQJTRGWOPRHI-UHFFFAOYSA-N 1 2 304.390 2.647 20 30 DFEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595701803 399044470 /nfs/dbraw/zinc/04/44/70/399044470.db2.gz FQQDYSQVUUTJEX-BFHYXJOUSA-N 1 2 301.390 2.694 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000595704547 399045568 /nfs/dbraw/zinc/04/55/68/399045568.db2.gz SMJSLSGEOSGYED-XEZPLFJOSA-N 1 2 301.390 2.694 20 30 DFEDLO CC(C)(C)n1ncnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677810 399058856 /nfs/dbraw/zinc/05/88/56/399058856.db2.gz LSRGXZBKUJWASI-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO CC(C)(C)n1ncnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677810 399058863 /nfs/dbraw/zinc/05/88/63/399058863.db2.gz LSRGXZBKUJWASI-UHFFFAOYSA-N 1 2 309.417 2.657 20 30 DFEDLO C=CCn1c(C)nnc1SCc1[nH+]ccn1CC(F)(F)F ZINC000057744095 399060259 /nfs/dbraw/zinc/06/02/59/399060259.db2.gz SQAQMPXZSSDWTI-UHFFFAOYSA-N 1 2 317.340 2.824 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000599681818 399060749 /nfs/dbraw/zinc/06/07/49/399060749.db2.gz SYTDGWCKJKQCAK-SFHVURJKSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000599681818 399060750 /nfs/dbraw/zinc/06/07/50/399060750.db2.gz SYTDGWCKJKQCAK-SFHVURJKSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@@H]12 ZINC000595733074 399061866 /nfs/dbraw/zinc/06/18/66/399061866.db2.gz QMZSYTZYYLCRHH-BFHYXJOUSA-N 1 2 319.430 2.568 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@@H]12 ZINC000595733074 399061869 /nfs/dbraw/zinc/06/18/69/399061869.db2.gz QMZSYTZYYLCRHH-BFHYXJOUSA-N 1 2 319.430 2.568 20 30 DFEDLO CCc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000595763842 399075565 /nfs/dbraw/zinc/07/55/65/399075565.db2.gz DVLIVSJTJWXJHZ-UHFFFAOYSA-N 1 2 311.385 2.904 20 30 DFEDLO Cc1cc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(C)c[nH+]1 ZINC000599767612 399087244 /nfs/dbraw/zinc/08/72/44/399087244.db2.gz ZYLMXQDIBJLVQB-UHFFFAOYSA-N 1 2 320.396 2.777 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826484 399099477 /nfs/dbraw/zinc/09/94/77/399099477.db2.gz CWHLEJXUTSLFTN-GXTWGEPZSA-N 1 2 321.218 2.789 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826484 399099480 /nfs/dbraw/zinc/09/94/80/399099480.db2.gz CWHLEJXUTSLFTN-GXTWGEPZSA-N 1 2 321.218 2.789 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595832538 399103468 /nfs/dbraw/zinc/10/34/68/399103468.db2.gz BWECWMRICFITNL-JNEORBFBSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595832538 399103474 /nfs/dbraw/zinc/10/34/74/399103474.db2.gz BWECWMRICFITNL-JNEORBFBSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595832531 399104076 /nfs/dbraw/zinc/10/40/76/399104076.db2.gz BWECWMRICFITNL-FYSCAJFOSA-N 1 2 315.461 2.695 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595832531 399104079 /nfs/dbraw/zinc/10/40/79/399104079.db2.gz BWECWMRICFITNL-FYSCAJFOSA-N 1 2 315.461 2.695 20 30 DFEDLO CN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000595832301 399104432 /nfs/dbraw/zinc/10/44/32/399104432.db2.gz AERPWZXMTJKQAD-IEBWSBKVSA-N 1 2 311.429 2.758 20 30 DFEDLO CN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)[C@@H]1CCCc2ccccc21 ZINC000595832301 399104435 /nfs/dbraw/zinc/10/44/35/399104435.db2.gz AERPWZXMTJKQAD-IEBWSBKVSA-N 1 2 311.429 2.758 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)oc1C ZINC000093056285 193199326 /nfs/dbraw/zinc/19/93/26/193199326.db2.gz XKJXFEYNXPGOCU-UHFFFAOYSA-N 1 2 316.430 2.542 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838417 399106844 /nfs/dbraw/zinc/10/68/44/399106844.db2.gz BROHSOJFQFIKKL-LRDDRELGSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838417 399106847 /nfs/dbraw/zinc/10/68/47/399106847.db2.gz BROHSOJFQFIKKL-LRDDRELGSA-N 1 2 305.809 2.580 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595839629 399107426 /nfs/dbraw/zinc/10/74/26/399107426.db2.gz KMXKXILKPJQSKK-WMZOPIPTSA-N 1 2 315.392 2.865 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595839629 399107431 /nfs/dbraw/zinc/10/74/31/399107431.db2.gz KMXKXILKPJQSKK-WMZOPIPTSA-N 1 2 315.392 2.865 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841978 399109310 /nfs/dbraw/zinc/10/93/10/399109310.db2.gz PQUNPJCKRUERQC-RPVQJOFSSA-N 1 2 315.392 2.723 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595841978 399109312 /nfs/dbraw/zinc/10/93/12/399109312.db2.gz PQUNPJCKRUERQC-RPVQJOFSSA-N 1 2 315.392 2.723 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842515 399109191 /nfs/dbraw/zinc/10/91/91/399109191.db2.gz FEPPWBUOIJPQNX-XJKSGUPXSA-N 1 2 308.809 2.624 20 30 DFEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842515 399109195 /nfs/dbraw/zinc/10/91/95/399109195.db2.gz FEPPWBUOIJPQNX-XJKSGUPXSA-N 1 2 308.809 2.624 20 30 DFEDLO Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)cc1C#N ZINC000600661137 399111258 /nfs/dbraw/zinc/11/12/58/399111258.db2.gz PUJPITYAIHRVPP-UHFFFAOYSA-N 1 2 317.414 2.759 20 30 DFEDLO N#Cc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000060370363 399125141 /nfs/dbraw/zinc/12/51/41/399125141.db2.gz ZCGSWBMVBNFMSJ-UHFFFAOYSA-N 1 2 309.373 2.967 20 30 DFEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000179902349 399131740 /nfs/dbraw/zinc/13/17/40/399131740.db2.gz MAMYABYRSGUISY-SJCJKPOMSA-N 1 2 321.396 2.539 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000180439843 399134062 /nfs/dbraw/zinc/13/40/62/399134062.db2.gz JIYYHCRHSDIOHH-AWEZNQCLSA-N 1 2 300.406 2.921 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917439 399135032 /nfs/dbraw/zinc/13/50/32/399135032.db2.gz MLCGRFVNIGBMPG-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917439 399135037 /nfs/dbraw/zinc/13/50/37/399135037.db2.gz MLCGRFVNIGBMPG-WBMJQRKESA-N 1 2 310.344 2.682 20 30 DFEDLO N#Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000060616139 399140213 /nfs/dbraw/zinc/14/02/13/399140213.db2.gz BUHNVTBTHFDADK-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CCCC[C@H]2C#N)CC1(C)C ZINC000596008114 399147021 /nfs/dbraw/zinc/14/70/21/399147021.db2.gz IHNSXCGEYLOWLQ-MJBXVCDLSA-N 1 2 315.421 2.595 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000264660532 204060936 /nfs/dbraw/zinc/06/09/36/204060936.db2.gz QUUGIEGVGMLBCI-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)n1 ZINC000184236353 399157214 /nfs/dbraw/zinc/15/72/14/399157214.db2.gz XNKRHSUGQKRKBK-NSHDSACASA-N 1 2 300.387 2.613 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296038338 284294948 /nfs/dbraw/zinc/29/49/48/284294948.db2.gz OACUOBPGNQEGCV-CVEARBPZSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296038338 284294951 /nfs/dbraw/zinc/29/49/51/284294951.db2.gz OACUOBPGNQEGCV-CVEARBPZSA-N 1 2 316.401 2.519 20 30 DFEDLO Cc1nnc(NCCCc2[nH+]c3ccccc3n2C)c(C#N)c1C ZINC000080760473 399176517 /nfs/dbraw/zinc/17/65/17/399176517.db2.gz LOAGXSHOGVPZDH-UHFFFAOYSA-N 1 2 320.400 2.897 20 30 DFEDLO CC#CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000607723964 399189659 /nfs/dbraw/zinc/18/96/59/399189659.db2.gz XIZOKAQWYRJVLO-UHFFFAOYSA-N 1 2 317.742 2.899 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNc1nc2ncccc2cc1C#N ZINC000596147118 399191116 /nfs/dbraw/zinc/19/11/16/399191116.db2.gz UEMVBJVUHZSYCV-UHFFFAOYSA-N 1 2 306.373 2.966 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C2 ZINC000614268032 399194029 /nfs/dbraw/zinc/19/40/29/399194029.db2.gz DJZLCFIVLMPICP-IAQYHMDHSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000614268032 399194033 /nfs/dbraw/zinc/19/40/33/399194033.db2.gz DJZLCFIVLMPICP-IAQYHMDHSA-N 1 2 308.385 2.572 20 30 DFEDLO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2ccsc2)c1C ZINC000198444070 399195424 /nfs/dbraw/zinc/19/54/24/399195424.db2.gz BCTZJAJTNJFLFC-UHFFFAOYSA-N 1 2 317.414 2.872 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)c2ccccc2CC#N)c[nH+]1 ZINC000600998137 399198746 /nfs/dbraw/zinc/19/87/46/399198746.db2.gz FABWQWXOCRGBSX-UHFFFAOYSA-N 1 2 322.412 2.924 20 30 DFEDLO Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000266335008 205274842 /nfs/dbraw/zinc/27/48/42/205274842.db2.gz HKMQDTMRMITVRZ-UHFFFAOYSA-N 1 2 321.384 2.512 20 30 DFEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000618670512 399206121 /nfs/dbraw/zinc/20/61/21/399206121.db2.gz ROLSGHSYOPVJDZ-HNNXBMFYSA-N 1 2 310.401 2.760 20 30 DFEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000081040907 399207182 /nfs/dbraw/zinc/20/71/82/399207182.db2.gz PIAZJRJYTYBFDC-AWEZNQCLSA-N 1 2 316.405 2.576 20 30 DFEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000081040907 399207186 /nfs/dbraw/zinc/20/71/86/399207186.db2.gz PIAZJRJYTYBFDC-AWEZNQCLSA-N 1 2 316.405 2.576 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)C[C@H](C)C#N ZINC000064248810 399217518 /nfs/dbraw/zinc/21/75/18/399217518.db2.gz FENKZVIEOPLITF-KGLIPLIRSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)C[C@H](C)C#N ZINC000064248810 399217524 /nfs/dbraw/zinc/21/75/24/399217524.db2.gz FENKZVIEOPLITF-KGLIPLIRSA-N 1 2 305.447 2.893 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220737 399257365 /nfs/dbraw/zinc/25/73/65/399257365.db2.gz ACIIWZZFPMXXGL-ZWNOBZJWSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601220737 399257368 /nfs/dbraw/zinc/25/73/68/399257368.db2.gz ACIIWZZFPMXXGL-ZWNOBZJWSA-N 1 2 317.216 2.967 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608436151 399263654 /nfs/dbraw/zinc/26/36/54/399263654.db2.gz HDQKHYMHJLCRPH-ZBFHGGJFSA-N 1 2 312.417 2.968 20 30 DFEDLO N#CCCN1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000601261482 399265486 /nfs/dbraw/zinc/26/54/86/399265486.db2.gz GHOXICACYGKGMX-UHFFFAOYSA-N 1 2 300.793 2.924 20 30 DFEDLO N#Cc1cc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC000614777039 399267136 /nfs/dbraw/zinc/26/71/36/399267136.db2.gz GLTIGJKTIZSRCL-QGZVFWFLSA-N 1 2 307.401 2.892 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778175 399267387 /nfs/dbraw/zinc/26/73/87/399267387.db2.gz BTVBEFAJZDICES-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO Cn1c2c(nc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778175 399267388 /nfs/dbraw/zinc/26/73/88/399267388.db2.gz BTVBEFAJZDICES-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO Cn1c2c(nc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1)CCCC2 ZINC000614778175 399267393 /nfs/dbraw/zinc/26/73/93/399267393.db2.gz BTVBEFAJZDICES-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO C=CCCn1cc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)nn1 ZINC000622764317 399272841 /nfs/dbraw/zinc/27/28/41/399272841.db2.gz DDJPEHRGBABYGQ-HNNXBMFYSA-N 1 2 311.433 2.695 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)nn1 ZINC000622764317 399272843 /nfs/dbraw/zinc/27/28/43/399272843.db2.gz DDJPEHRGBABYGQ-HNNXBMFYSA-N 1 2 311.433 2.695 20 30 DFEDLO Cc1c([C@H](C)[NH+]2CCN(CCC#N)CC2)cnn1C(C)(C)C ZINC000601317023 399276368 /nfs/dbraw/zinc/27/63/68/399276368.db2.gz UKGRHEVGYHWXNC-AWEZNQCLSA-N 1 2 303.454 2.539 20 30 DFEDLO C[C@@H](c1cc(-c2ccccc2)nn1C)[NH+]1CCN(CCC#N)CC1 ZINC000601316006 399275577 /nfs/dbraw/zinc/27/55/77/399275577.db2.gz FOMKQFWNEJSQKI-INIZCTEOSA-N 1 2 323.444 2.679 20 30 DFEDLO N#CC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CC2(CC2)C1 ZINC000601355537 399280800 /nfs/dbraw/zinc/28/08/00/399280800.db2.gz UAKSSXZJUWAHIW-UHFFFAOYSA-N 1 2 305.341 2.643 20 30 DFEDLO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000609139379 399305436 /nfs/dbraw/zinc/30/54/36/399305436.db2.gz SLJOXDNKXVUIFQ-YOEHRIQHSA-N 1 2 323.400 2.862 20 30 DFEDLO N#CCn1c(C(=O)NCCCCn2cc[nH+]c2)cc2ccccc21 ZINC000609200897 399308863 /nfs/dbraw/zinc/30/88/63/399308863.db2.gz MTXOPCFSLJGDCQ-UHFFFAOYSA-N 1 2 321.384 2.572 20 30 DFEDLO N#CC1(C(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)CC2(CC2)C1 ZINC000601654154 399314981 /nfs/dbraw/zinc/31/49/81/399314981.db2.gz OTNKUEXBQRGKMU-UHFFFAOYSA-N 1 2 306.369 2.777 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000609894929 399335769 /nfs/dbraw/zinc/33/57/69/399335769.db2.gz OUZVHHCZSFPNHF-IBGZPJMESA-N 1 2 308.429 2.901 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004484 399338447 /nfs/dbraw/zinc/33/84/47/399338447.db2.gz MEXYFZWAGIKKDG-SCLBCKFNSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004484 399338450 /nfs/dbraw/zinc/33/84/50/399338450.db2.gz MEXYFZWAGIKKDG-SCLBCKFNSA-N 1 2 317.408 2.799 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610003968 399338584 /nfs/dbraw/zinc/33/85/84/399338584.db2.gz UVDITWMDZMDRDH-ZDUSSCGKSA-N 1 2 303.381 2.507 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610003968 399338585 /nfs/dbraw/zinc/33/85/85/399338585.db2.gz UVDITWMDZMDRDH-ZDUSSCGKSA-N 1 2 303.381 2.507 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601820573 399342839 /nfs/dbraw/zinc/34/28/39/399342839.db2.gz PDKHRCXQDCQCCI-DZGCQCFKSA-N 1 2 310.401 2.749 20 30 DFEDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C#N ZINC000601819522 399342882 /nfs/dbraw/zinc/34/28/82/399342882.db2.gz JDELNSZKTQKUJS-IRXDYDNUSA-N 1 2 308.385 2.696 20 30 DFEDLO C=CCCO[C@@H](C)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000273935975 211189744 /nfs/dbraw/zinc/18/97/44/211189744.db2.gz RRLVQQXDUBOSFZ-LBPRGKRZSA-N 1 2 311.345 2.971 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](Nc1cccc(C#N)n1)C1CCOCC1 ZINC000284696959 218139691 /nfs/dbraw/zinc/13/96/91/218139691.db2.gz ZLTFKMMFBHKKPL-INIZCTEOSA-N 1 2 311.389 2.749 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3cccc(CC#N)c3)[nH+]c12 ZINC000610434649 399367897 /nfs/dbraw/zinc/36/78/97/399367897.db2.gz DRCAQCBQMNHMSS-UHFFFAOYSA-N 1 2 318.380 2.681 20 30 DFEDLO N#C[C@]1(F)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000615652155 399368547 /nfs/dbraw/zinc/36/85/47/399368547.db2.gz QXCTUXYQOZVZJZ-CYBMUJFWSA-N 1 2 323.169 2.534 20 30 DFEDLO CCSCC[C@@H](C)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000610431578 399366989 /nfs/dbraw/zinc/36/69/89/399366989.db2.gz OVMOXPHAKVPZBO-GFCCVEGCSA-N 1 2 318.450 2.708 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000619621040 399368954 /nfs/dbraw/zinc/36/89/54/399368954.db2.gz NSPOXZHSDHSPAX-LJQANCHMSA-N 1 2 308.429 2.901 20 30 DFEDLO N#Cc1ccnc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c1 ZINC000285013083 218255691 /nfs/dbraw/zinc/25/56/91/218255691.db2.gz NYGBMDZIPWPWKY-MRXNPFEDSA-N 1 2 321.384 2.532 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1cccc(C#N)c1)C2 ZINC000106373990 194203167 /nfs/dbraw/zinc/20/31/67/194203167.db2.gz BITXGYCRYCYJAF-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000106373990 194203169 /nfs/dbraw/zinc/20/31/69/194203169.db2.gz BITXGYCRYCYJAF-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000106373990 194203172 /nfs/dbraw/zinc/20/31/72/194203172.db2.gz BITXGYCRYCYJAF-UHFFFAOYSA-N 1 2 324.428 2.852 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1[nH+]cnc2c1cnn2CCC#N ZINC000610575866 399381775 /nfs/dbraw/zinc/38/17/75/399381775.db2.gz FLXFXLMQSNCHKY-VNHYZAJKSA-N 1 2 310.405 2.897 20 30 DFEDLO Cc1csc([C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778522 399382030 /nfs/dbraw/zinc/38/20/30/399382030.db2.gz MXHDCAZJJXRMNN-CHWSQXEVSA-N 1 2 318.446 2.539 20 30 DFEDLO Cc1csc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000615778522 399382032 /nfs/dbraw/zinc/38/20/32/399382032.db2.gz MXHDCAZJJXRMNN-CHWSQXEVSA-N 1 2 318.446 2.539 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000619722281 399383705 /nfs/dbraw/zinc/38/37/05/399383705.db2.gz INKUGMNWAIOXHW-INIZCTEOSA-N 1 2 313.401 2.709 20 30 DFEDLO CC(C)c1nc(N2CCCN(c3ncccc3C#N)CC2)cc[nH+]1 ZINC000110273119 194319548 /nfs/dbraw/zinc/31/95/48/194319548.db2.gz QRGZOCBAULKTBD-UHFFFAOYSA-N 1 2 322.416 2.583 20 30 DFEDLO C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531425 269690343 /nfs/dbraw/zinc/69/03/43/269690343.db2.gz REFJNEWLBZAQQJ-MRXNPFEDSA-N 1 2 313.788 2.870 20 30 DFEDLO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531425 269690344 /nfs/dbraw/zinc/69/03/44/269690344.db2.gz REFJNEWLBZAQQJ-MRXNPFEDSA-N 1 2 313.788 2.870 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602136165 399400112 /nfs/dbraw/zinc/40/01/12/399400112.db2.gz QPDCEOGZSZVRBI-AAEUAGOBSA-N 1 2 314.311 2.529 20 30 DFEDLO CC1(C#N)CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602143632 399400828 /nfs/dbraw/zinc/40/08/28/399400828.db2.gz NNHMUBYKLQNFIZ-NSHDSACASA-N 1 2 314.311 2.529 20 30 DFEDLO CC(C)C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC000602157538 399402346 /nfs/dbraw/zinc/40/23/46/399402346.db2.gz HCAFUPWSNLJCLR-INIZCTEOSA-N 1 2 314.364 2.797 20 30 DFEDLO C[N@H+](CCOC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000610859862 399413095 /nfs/dbraw/zinc/41/30/95/399413095.db2.gz QYTVTYUGYCPWME-UHFFFAOYSA-N 1 2 314.389 2.855 20 30 DFEDLO C[N@@H+](CCOC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000610859862 399413096 /nfs/dbraw/zinc/41/30/96/399413096.db2.gz QYTVTYUGYCPWME-UHFFFAOYSA-N 1 2 314.389 2.855 20 30 DFEDLO C[C@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000610958750 399422059 /nfs/dbraw/zinc/42/20/59/399422059.db2.gz KGZUFVAUNDMWGB-XJKSGUPXSA-N 1 2 323.400 2.693 20 30 DFEDLO CCOc1ccccc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991317 399424975 /nfs/dbraw/zinc/42/49/75/399424975.db2.gz JKCMBBGMECYJIG-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)cc1Cl ZINC000611180434 399443166 /nfs/dbraw/zinc/44/31/66/399443166.db2.gz XOEFWBVIFBYUKI-JTQLQIEISA-N 1 2 313.735 2.737 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)cc1Cl ZINC000611180434 399443169 /nfs/dbraw/zinc/44/31/69/399443169.db2.gz XOEFWBVIFBYUKI-JTQLQIEISA-N 1 2 313.735 2.737 20 30 DFEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(CCC#N)CC1 ZINC000611175047 399441545 /nfs/dbraw/zinc/44/15/45/399441545.db2.gz RQXKSDNVKLXOBR-UHFFFAOYSA-N 1 2 316.430 2.743 20 30 DFEDLO CO[C@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000602427736 399441569 /nfs/dbraw/zinc/44/15/69/399441569.db2.gz JONIRPREFLTTFF-RTBURBONSA-N 1 2 313.445 2.511 20 30 DFEDLO CO[C@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000602427736 399441570 /nfs/dbraw/zinc/44/15/70/399441570.db2.gz JONIRPREFLTTFF-RTBURBONSA-N 1 2 313.445 2.511 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)n1 ZINC000602429634 399441772 /nfs/dbraw/zinc/44/17/72/399441772.db2.gz QLRCEFZIFOWECS-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602471812 399453537 /nfs/dbraw/zinc/45/35/37/399453537.db2.gz JDAZADZBWJZOTI-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602471812 399453540 /nfs/dbraw/zinc/45/35/40/399453540.db2.gz JDAZADZBWJZOTI-UHFFFAOYSA-N 1 2 323.396 2.561 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(I)s1 ZINC000602448420 399446924 /nfs/dbraw/zinc/44/69/24/399446924.db2.gz SVWJKKCPGNUVCY-MRVPVSSYSA-N 1 2 320.199 2.944 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(I)s1 ZINC000602448420 399446927 /nfs/dbraw/zinc/44/69/27/399446927.db2.gz SVWJKKCPGNUVCY-MRVPVSSYSA-N 1 2 320.199 2.944 20 30 DFEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602487016 399460047 /nfs/dbraw/zinc/46/00/47/399460047.db2.gz SBZKTIWSNJIYFL-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602487016 399460048 /nfs/dbraw/zinc/46/00/48/399460048.db2.gz SBZKTIWSNJIYFL-UHFFFAOYSA-N 1 2 319.206 2.686 20 30 DFEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1OCCCCO)C1CC1 ZINC000602485131 399459254 /nfs/dbraw/zinc/45/92/54/399459254.db2.gz QQYVFCIHOWCXCE-HNNXBMFYSA-N 1 2 302.418 2.962 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1OCCCCO)C1CC1 ZINC000602485131 399459255 /nfs/dbraw/zinc/45/92/55/399459255.db2.gz QQYVFCIHOWCXCE-HNNXBMFYSA-N 1 2 302.418 2.962 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCOC[C@@H]2C)c1C#N ZINC000611348447 399464719 /nfs/dbraw/zinc/46/47/19/399464719.db2.gz WDVJKSPOLHRHFQ-AWEZNQCLSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCOC[C@@H]2C)c1C#N ZINC000611348447 399464722 /nfs/dbraw/zinc/46/47/22/399464722.db2.gz WDVJKSPOLHRHFQ-AWEZNQCLSA-N 1 2 310.401 2.663 20 30 DFEDLO COC(C)(C)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348391 399464996 /nfs/dbraw/zinc/46/49/96/399464996.db2.gz WUJKWQHCJLELSL-UHFFFAOYSA-N 1 2 312.417 2.909 20 30 DFEDLO COC(C)(C)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348391 399465001 /nfs/dbraw/zinc/46/50/01/399465001.db2.gz WUJKWQHCJLELSL-UHFFFAOYSA-N 1 2 312.417 2.909 20 30 DFEDLO C[NH+](C)[C@@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602566291 399478264 /nfs/dbraw/zinc/47/82/64/399478264.db2.gz XDCQSMANTAWBTG-KRWDZBQOSA-N 1 2 314.820 2.999 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000611478324 399479822 /nfs/dbraw/zinc/47/98/22/399479822.db2.gz WNUVLRVUVXVGBQ-UHFFFAOYSA-N 1 2 319.364 2.540 20 30 DFEDLO C[C@H]1CN(c2ccc(NCc3cccc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000602593762 399486400 /nfs/dbraw/zinc/48/64/00/399486400.db2.gz MUYUJFWESNYQMC-KBPBESRZSA-N 1 2 323.400 2.574 20 30 DFEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623908423 399491869 /nfs/dbraw/zinc/49/18/69/399491869.db2.gz AMCXXGXLAKWZBU-UHFFFAOYSA-N 1 2 312.417 2.571 20 30 DFEDLO C[C@@H]1CC[C@@]2(CCN(c3[nH+]cnc4c3cnn4CCC#N)C2)C1 ZINC000611618070 399499722 /nfs/dbraw/zinc/49/97/22/399499722.db2.gz LOTAXERQKVGACQ-CXAGYDPISA-N 1 2 310.405 2.756 20 30 DFEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccco2)CC1 ZINC000119663624 195012450 /nfs/dbraw/zinc/01/24/50/195012450.db2.gz HMFIMLNETMFKRQ-UHFFFAOYSA-N 1 2 324.340 2.721 20 30 DFEDLO COC(=O)c1[nH]c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1C ZINC000602670757 399513891 /nfs/dbraw/zinc/51/38/91/399513891.db2.gz DACRAUJQGQBEMS-WBVHZDCISA-N 1 2 323.396 2.849 20 30 DFEDLO COC(=O)c1[nH]c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1C ZINC000602670757 399513894 /nfs/dbraw/zinc/51/38/94/399513894.db2.gz DACRAUJQGQBEMS-WBVHZDCISA-N 1 2 323.396 2.849 20 30 DFEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]c1C ZINC000602673862 399514612 /nfs/dbraw/zinc/51/46/12/399514612.db2.gz UGPIZNXMEMFNGB-QAPCUYQASA-N 1 2 323.396 2.849 20 30 DFEDLO COC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)[nH]c1C ZINC000602673862 399514616 /nfs/dbraw/zinc/51/46/16/399514616.db2.gz UGPIZNXMEMFNGB-QAPCUYQASA-N 1 2 323.396 2.849 20 30 DFEDLO Cc1cc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc[nH+]1 ZINC000120064226 195089700 /nfs/dbraw/zinc/08/97/00/195089700.db2.gz OBEWPDCAGZOPAE-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO N#Cc1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000269968205 208019267 /nfs/dbraw/zinc/01/92/67/208019267.db2.gz NPXNGKYRZNPIBS-ZDUSSCGKSA-N 1 2 323.356 2.800 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)[C@@H]1C(=O)OC(C)(C)C ZINC000602693100 399522888 /nfs/dbraw/zinc/52/28/88/399522888.db2.gz QIDCABCWFBVXOZ-BBRMVZONSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)[C@@H]1C(=O)OC(C)(C)C ZINC000602693100 399522890 /nfs/dbraw/zinc/52/28/90/399522890.db2.gz QIDCABCWFBVXOZ-BBRMVZONSA-N 1 2 315.417 2.895 20 30 DFEDLO C#CCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270237611 208302771 /nfs/dbraw/zinc/30/27/71/208302771.db2.gz OSYFNJAVTUZDER-HNNXBMFYSA-N 1 2 310.401 2.542 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)n1 ZINC000602719776 399537607 /nfs/dbraw/zinc/53/76/07/399537607.db2.gz SVQVWEQRZLJXLF-KRWDZBQOSA-N 1 2 309.369 2.900 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)n1 ZINC000602719776 399537610 /nfs/dbraw/zinc/53/76/10/399537610.db2.gz SVQVWEQRZLJXLF-KRWDZBQOSA-N 1 2 309.369 2.900 20 30 DFEDLO C=CCC[C@@H](CCC)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624082972 399547656 /nfs/dbraw/zinc/54/76/56/399547656.db2.gz YGHZGBCCUIBLEA-CQSZACIVSA-N 1 2 301.438 2.968 20 30 DFEDLO CC(C)c1ccc(C[NH+]2CCN(CCC#N)CC2)cc1[N+](=O)[O-] ZINC000602750994 399555940 /nfs/dbraw/zinc/55/59/40/399555940.db2.gz KZZIHBWALKXACP-UHFFFAOYSA-N 1 2 316.405 2.749 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCc2occc2C1 ZINC000288708668 220359923 /nfs/dbraw/zinc/35/99/23/220359923.db2.gz FENHROMQHGINKZ-ZDUSSCGKSA-N 1 2 309.369 2.927 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCc2occc2C1 ZINC000288708668 220359927 /nfs/dbraw/zinc/35/99/27/220359927.db2.gz FENHROMQHGINKZ-ZDUSSCGKSA-N 1 2 309.369 2.927 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000366374056 128277143 /nfs/dbraw/zinc/27/71/43/128277143.db2.gz HCPMVPNXARQMHR-QGZVFWFLSA-N 1 2 322.343 2.617 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000366374056 128277147 /nfs/dbraw/zinc/27/71/47/128277147.db2.gz HCPMVPNXARQMHR-QGZVFWFLSA-N 1 2 322.343 2.617 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000288295724 335051395 /nfs/dbraw/zinc/05/13/95/335051395.db2.gz WAUCZYJSAQCDEG-QGZVFWFLSA-N 1 2 323.440 2.588 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162761 399595460 /nfs/dbraw/zinc/59/54/60/399595460.db2.gz MFLRLJDWBAKOLV-MJGOQNOKSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162761 399595465 /nfs/dbraw/zinc/59/54/65/399595465.db2.gz MFLRLJDWBAKOLV-MJGOQNOKSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000612166174 399596926 /nfs/dbraw/zinc/59/69/26/399596926.db2.gz BVFTUOYGCRFUBN-BBRMVZONSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000612166174 399596928 /nfs/dbraw/zinc/59/69/28/399596928.db2.gz BVFTUOYGCRFUBN-BBRMVZONSA-N 1 2 308.809 2.705 20 30 DFEDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000120340806 195147444 /nfs/dbraw/zinc/14/74/44/195147444.db2.gz HJNBYULXBBMBEV-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000120340806 195147445 /nfs/dbraw/zinc/14/74/45/195147445.db2.gz HJNBYULXBBMBEV-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO C=CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000156582870 197125356 /nfs/dbraw/zinc/12/53/56/197125356.db2.gz DLBCCDOOKVXHBA-HUUCEWRRSA-N 1 2 317.433 2.946 20 30 DFEDLO CCC[C@@](C)([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC ZINC000156445576 197114522 /nfs/dbraw/zinc/11/45/22/197114522.db2.gz CAQPOFKZIGPNMX-QGZVFWFLSA-N 1 2 304.390 2.649 20 30 DFEDLO C#CCOc1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000155005412 197012139 /nfs/dbraw/zinc/01/21/39/197012139.db2.gz GOWZEDQDBSPPCV-UHFFFAOYSA-N 1 2 305.328 2.922 20 30 DFEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000155005412 197012141 /nfs/dbraw/zinc/01/21/41/197012141.db2.gz GOWZEDQDBSPPCV-UHFFFAOYSA-N 1 2 305.328 2.922 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000602861193 399606026 /nfs/dbraw/zinc/60/60/26/399606026.db2.gz FIMIZJAPTQXHNM-CXAGYDPISA-N 1 2 313.426 2.845 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000602865216 399607961 /nfs/dbraw/zinc/60/79/61/399607961.db2.gz UVQWGZGORIJLPF-VQIMIIECSA-N 1 2 321.424 2.978 20 30 DFEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CC#N)ccc1Cl ZINC000602861365 399608023 /nfs/dbraw/zinc/60/80/23/399608023.db2.gz HKPMUXLZEPUEQQ-ZDUSSCGKSA-N 1 2 318.808 2.787 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000602868178 399608827 /nfs/dbraw/zinc/60/88/27/399608827.db2.gz HRYYJQYSMSYWFL-QWHCGFSZSA-N 1 2 316.430 2.769 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000602866127 399609078 /nfs/dbraw/zinc/60/90/78/399609078.db2.gz YPFFMMVTDRFSDZ-MNOVXSKESA-N 1 2 324.222 2.518 20 30 DFEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000602870880 399609748 /nfs/dbraw/zinc/60/97/48/399609748.db2.gz YEQWGSDGOVGVAF-SNVBAGLBSA-N 1 2 318.377 2.779 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2C#N)c1C ZINC000052050634 542446685 /nfs/dbraw/zinc/44/66/85/542446685.db2.gz GINRDISKALLBQY-UHFFFAOYSA-N 1 2 315.398 2.912 20 30 DFEDLO Cc1cnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)nc1 ZINC000602894277 399618302 /nfs/dbraw/zinc/61/83/02/399618302.db2.gz JUEAVFQEWWBXAD-UHFFFAOYSA-N 1 2 307.401 2.733 20 30 DFEDLO Cc1nnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)s1 ZINC000602902190 399621356 /nfs/dbraw/zinc/62/13/56/399621356.db2.gz VCCJLIJJJWZVKJ-UHFFFAOYSA-N 1 2 313.430 2.795 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289846886 221266366 /nfs/dbraw/zinc/26/63/66/221266366.db2.gz PKOLVWFCKZUIGX-NWDGAFQWSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289846886 221266368 /nfs/dbraw/zinc/26/63/68/221266368.db2.gz PKOLVWFCKZUIGX-NWDGAFQWSA-N 1 2 307.344 2.862 20 30 DFEDLO C#CC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(F)cc1 ZINC000289337499 335057893 /nfs/dbraw/zinc/05/78/93/335057893.db2.gz LMJHHAZWWWKOPR-LBPRGKRZSA-N 1 2 304.390 2.971 20 30 DFEDLO C#CC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(F)cc1 ZINC000289337499 335057894 /nfs/dbraw/zinc/05/78/94/335057894.db2.gz LMJHHAZWWWKOPR-LBPRGKRZSA-N 1 2 304.390 2.971 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000603064467 399668709 /nfs/dbraw/zinc/66/87/09/399668709.db2.gz GNQPLKNVDYGDJC-OAHLLOKOSA-N 1 2 313.336 2.590 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406685 399644944 /nfs/dbraw/zinc/64/49/44/399644944.db2.gz RFGBXEHMHZZTCF-RDTXWAMCSA-N 1 2 316.401 2.753 20 30 DFEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406685 399644949 /nfs/dbraw/zinc/64/49/49/399644949.db2.gz RFGBXEHMHZZTCF-RDTXWAMCSA-N 1 2 316.401 2.753 20 30 DFEDLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[C@H]1C#N ZINC000602976839 399645435 /nfs/dbraw/zinc/64/54/35/399645435.db2.gz UGCGCAHMXIQAPV-WMZOPIPTSA-N 1 2 311.429 2.802 20 30 DFEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[C@H]1C#N ZINC000602976839 399645440 /nfs/dbraw/zinc/64/54/40/399645440.db2.gz UGCGCAHMXIQAPV-WMZOPIPTSA-N 1 2 311.429 2.802 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000602977911 399647025 /nfs/dbraw/zinc/64/70/25/399647025.db2.gz ISLZLFAGEMAVIE-WFASDCNBSA-N 1 2 305.447 2.551 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000602977911 399647029 /nfs/dbraw/zinc/64/70/29/399647029.db2.gz ISLZLFAGEMAVIE-WFASDCNBSA-N 1 2 305.447 2.551 20 30 DFEDLO N#Cc1cc(F)cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000603080650 399676102 /nfs/dbraw/zinc/67/61/02/399676102.db2.gz LFRXISRCUPZCEU-UHFFFAOYSA-N 1 2 313.336 2.552 20 30 DFEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000331898507 533626855 /nfs/dbraw/zinc/62/68/55/533626855.db2.gz WUYFXJIVSRWEDG-AAEUAGOBSA-N 1 2 300.387 2.540 20 30 DFEDLO CN(C(=O)NCCCC#N)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603429770 399773813 /nfs/dbraw/zinc/77/38/13/399773813.db2.gz BBXUZRXGHLPTKO-CQSZACIVSA-N 1 2 315.352 2.583 20 30 DFEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCCCC1 ZINC000617719027 399782964 /nfs/dbraw/zinc/78/29/64/399782964.db2.gz GRGQQVUUGWHGMQ-JKSUJKDBSA-N 1 2 308.466 2.738 20 30 DFEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCCCC1 ZINC000617719027 399782967 /nfs/dbraw/zinc/78/29/67/399782967.db2.gz GRGQQVUUGWHGMQ-JKSUJKDBSA-N 1 2 308.466 2.738 20 30 DFEDLO COc1ccc(OC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000603840524 399807752 /nfs/dbraw/zinc/80/77/52/399807752.db2.gz PITFKLSFFJQRQH-OAHLLOKOSA-N 1 2 313.401 2.982 20 30 DFEDLO COc1cc(OC)c(C2CC[NH+](CCC#N)CC2)c(OC)c1 ZINC000603846980 399808571 /nfs/dbraw/zinc/80/85/71/399808571.db2.gz USGMCPSSJDTGBY-UHFFFAOYSA-N 1 2 304.390 2.805 20 30 DFEDLO CCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000604274087 399834790 /nfs/dbraw/zinc/83/47/90/399834790.db2.gz XGDHMRCVZXSSMX-UHFFFAOYSA-N 1 2 321.808 2.651 20 30 DFEDLO CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000328746997 543096853 /nfs/dbraw/zinc/09/68/53/543096853.db2.gz ASZQKARWMBTCBY-CYBMUJFWSA-N 1 2 314.389 2.879 20 30 DFEDLO Cc1cnc([C@@H](C)NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000329263312 543101887 /nfs/dbraw/zinc/10/18/87/543101887.db2.gz DNBAULZMJKZLND-LLVKDONJSA-N 1 2 303.366 2.561 20 30 DFEDLO Cc1cnc([C@@H](C)NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000329263312 543101889 /nfs/dbraw/zinc/10/18/89/543101889.db2.gz DNBAULZMJKZLND-LLVKDONJSA-N 1 2 303.366 2.561 20 30 DFEDLO N#Cc1ccc(OCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000604484727 399849120 /nfs/dbraw/zinc/84/91/20/399849120.db2.gz KCIVRANLPBYAOT-UHFFFAOYSA-N 1 2 318.336 2.966 20 30 DFEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC000329409792 543103894 /nfs/dbraw/zinc/10/38/94/543103894.db2.gz CUNIHXWDSMFTFW-ZDUSSCGKSA-N 1 2 315.421 2.808 20 30 DFEDLO C[C@@H](CNC(=O)Nc1csc2ccccc12)[NH+]1CCOCC1 ZINC000329467869 543104431 /nfs/dbraw/zinc/10/44/31/543104431.db2.gz WXRFYXCZRFNKTI-LBPRGKRZSA-N 1 2 319.430 2.948 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H](C(F)(F)F)C1 ZINC000604559433 399856616 /nfs/dbraw/zinc/85/66/16/399856616.db2.gz SNDGIZDHIVBCQE-JTQLQIEISA-N 1 2 324.310 2.519 20 30 DFEDLO CCOc1cccc(CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604558736 399856346 /nfs/dbraw/zinc/85/63/46/399856346.db2.gz NXVJBTNNMNVRDA-UHFFFAOYSA-N 1 2 322.372 2.751 20 30 DFEDLO CCN(CCc1ccccc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000604558973 399856410 /nfs/dbraw/zinc/85/64/10/399856410.db2.gz XPHVUMMCCKJFKS-UHFFFAOYSA-N 1 2 320.400 2.809 20 30 DFEDLO N#Cc1cc(NC(=O)C[N@@H+]2CCc3sccc3C2)ccc1F ZINC000076880892 145194764 /nfs/dbraw/zinc/19/47/64/145194764.db2.gz HFFCKJSWKCWXKB-UHFFFAOYSA-N 1 2 315.373 2.756 20 30 DFEDLO N#Cc1cc(NC(=O)C[N@H+]2CCc3sccc3C2)ccc1F ZINC000076880892 145194767 /nfs/dbraw/zinc/19/47/67/145194767.db2.gz HFFCKJSWKCWXKB-UHFFFAOYSA-N 1 2 315.373 2.756 20 30 DFEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000630905964 399945690 /nfs/dbraw/zinc/94/56/90/399945690.db2.gz NDETXVAVSSCRGG-UHFFFAOYSA-N 1 2 305.447 2.534 20 30 DFEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000630905964 399945691 /nfs/dbraw/zinc/94/56/91/399945691.db2.gz NDETXVAVSSCRGG-UHFFFAOYSA-N 1 2 305.447 2.534 20 30 DFEDLO C=CCC(C)(C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304369 400012421 /nfs/dbraw/zinc/01/24/21/400012421.db2.gz DNHVXVZHARXDRX-UHFFFAOYSA-N 1 2 319.474 2.853 20 30 DFEDLO C=C1CC(C)(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634305251 400012830 /nfs/dbraw/zinc/01/28/30/400012830.db2.gz KSXQWWODXLCOJK-UHFFFAOYSA-N 1 2 317.458 2.607 20 30 DFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccsc2)O1 ZINC000248809537 146171562 /nfs/dbraw/zinc/17/15/62/146171562.db2.gz CHTHITVNISATJT-LRDDRELGSA-N 1 2 301.415 2.920 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](c2ccsc2)O1 ZINC000248809537 146171566 /nfs/dbraw/zinc/17/15/66/146171566.db2.gz CHTHITVNISATJT-LRDDRELGSA-N 1 2 301.415 2.920 20 30 DFEDLO N#Cc1nnc2ccccc2c1NCc1cn2c([nH+]1)CCCC2 ZINC000354340717 147000396 /nfs/dbraw/zinc/00/03/96/147000396.db2.gz NIYGQVDOOCDWKG-UHFFFAOYSA-N 1 2 304.357 2.646 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000355316135 147260607 /nfs/dbraw/zinc/26/06/07/147260607.db2.gz JGXUPPNJQZRGKI-CZUORRHYSA-N 1 2 324.384 2.701 20 30 DFEDLO N#Cc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1F ZINC000359530465 148683019 /nfs/dbraw/zinc/68/30/19/148683019.db2.gz MXBWBHGVEDNHMT-HNNXBMFYSA-N 1 2 306.287 2.799 20 30 DFEDLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000360161021 148824409 /nfs/dbraw/zinc/82/44/09/148824409.db2.gz DVMKSBGXNOXARW-CZUORRHYSA-N 1 2 308.385 2.791 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccsc3Cl)CC2)nc1 ZINC000361492163 149129599 /nfs/dbraw/zinc/12/95/99/149129599.db2.gz DZJDRWKHOJCZRH-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2c(cc1C#N)CCC2 ZINC000372989256 150213024 /nfs/dbraw/zinc/21/30/24/150213024.db2.gz IYIZLVOAZMNVQV-UHFFFAOYSA-N 1 2 307.401 2.611 20 30 DFEDLO CN(CCOc1ccccc1C#N)Cc1cn2c([nH+]1)CCCC2 ZINC000372998730 150214068 /nfs/dbraw/zinc/21/40/68/150214068.db2.gz HBQMXHXHLCUMQF-UHFFFAOYSA-N 1 2 310.401 2.602 20 30 DFEDLO Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000373005530 150214993 /nfs/dbraw/zinc/21/49/93/150214993.db2.gz PZVDKXKWXFYTIZ-QGZVFWFLSA-N 1 2 307.353 2.555 20 30 DFEDLO N#Cc1ccccc1C=CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374202593 150320847 /nfs/dbraw/zinc/32/08/47/150320847.db2.gz WDHBDCVDHUUNGK-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO N#Cc1ccccc1C=CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202593 150320851 /nfs/dbraw/zinc/32/08/51/150320851.db2.gz WDHBDCVDHUUNGK-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO Cc1ccc(CN(c2cccc(C#N)c2)S(C)(=O)=O)c(C)[nH+]1 ZINC000185308038 158053758 /nfs/dbraw/zinc/05/37/58/158053758.db2.gz FUUYBZXTOMKIED-UHFFFAOYSA-N 1 2 315.398 2.536 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360011303 158429346 /nfs/dbraw/zinc/42/93/46/158429346.db2.gz USUJBOABEWAMDO-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000053996820 425889141 /nfs/dbraw/zinc/88/91/41/425889141.db2.gz FSNOAXZVVUICDI-UHFFFAOYSA-N 1 2 300.406 2.952 20 30 DFEDLO CN1CCOc2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc21 ZINC000132995975 196303013 /nfs/dbraw/zinc/30/30/13/196303013.db2.gz KVLJKSXZNCTNAC-UHFFFAOYSA-N 1 2 319.368 2.647 20 30 DFEDLO C=CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541455 543626484 /nfs/dbraw/zinc/62/64/84/543626484.db2.gz QWOYYNOEGRWWQQ-MRXNPFEDSA-N 1 2 318.442 2.651 20 30 DFEDLO C=CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541455 543626487 /nfs/dbraw/zinc/62/64/87/543626487.db2.gz QWOYYNOEGRWWQQ-MRXNPFEDSA-N 1 2 318.442 2.651 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162750 543754992 /nfs/dbraw/zinc/75/49/92/543754992.db2.gz HALRLIAKUDURKB-CJNGLKHVSA-N 1 2 314.389 2.745 20 30 DFEDLO C=CC1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673775630 544197616 /nfs/dbraw/zinc/19/76/16/544197616.db2.gz JIVPZIGZZXAPRC-UHFFFAOYSA-N 1 2 312.417 2.793 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2sc(Br)cc2C1 ZINC000678049183 544588946 /nfs/dbraw/zinc/58/89/46/544588946.db2.gz GPLDEKGUHKYKBO-SNVBAGLBSA-N 1 2 302.237 2.806 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2sc(Br)cc2C1 ZINC000678049183 544588949 /nfs/dbraw/zinc/58/89/49/544588949.db2.gz GPLDEKGUHKYKBO-SNVBAGLBSA-N 1 2 302.237 2.806 20 30 DFEDLO COCC#CC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000679174927 544796184 /nfs/dbraw/zinc/79/61/84/544796184.db2.gz KBYHUWYTNZYAAV-INIZCTEOSA-N 1 2 316.449 2.682 20 30 DFEDLO COCC#CC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000679174927 544796186 /nfs/dbraw/zinc/79/61/86/544796186.db2.gz KBYHUWYTNZYAAV-INIZCTEOSA-N 1 2 316.449 2.682 20 30 DFEDLO CCn1cnnc1[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301771381 229883323 /nfs/dbraw/zinc/88/33/23/229883323.db2.gz JIUPELSIZLZQLV-CQSZACIVSA-N 1 2 310.405 2.566 20 30 DFEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000680427466 545007192 /nfs/dbraw/zinc/00/71/92/545007192.db2.gz ANXYBQIKDVUYIF-SWLSCSKDSA-N 1 2 301.390 2.887 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000680436331 545007492 /nfs/dbraw/zinc/00/74/92/545007492.db2.gz AMHAEMSOWXWZMY-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000680436331 545007494 /nfs/dbraw/zinc/00/74/94/545007494.db2.gz AMHAEMSOWXWZMY-AWEZNQCLSA-N 1 2 314.198 2.883 20 30 DFEDLO COc1cc(C)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(C)n1 ZINC000459607362 269768753 /nfs/dbraw/zinc/76/87/53/269768753.db2.gz GKFONUBOQWDMGS-UHFFFAOYSA-N 1 2 323.396 2.842 20 30 DFEDLO C#CC[N@H+](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066539198 425904780 /nfs/dbraw/zinc/90/47/80/425904780.db2.gz WZIBYUTXKUODCG-AWEZNQCLSA-N 1 2 319.451 2.524 20 30 DFEDLO C#CC[N@@H+](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066539198 425904781 /nfs/dbraw/zinc/90/47/81/425904781.db2.gz WZIBYUTXKUODCG-AWEZNQCLSA-N 1 2 319.451 2.524 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066852915 425907271 /nfs/dbraw/zinc/90/72/71/425907271.db2.gz WPBNGGJTRUAHQQ-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066852915 425907272 /nfs/dbraw/zinc/90/72/72/425907272.db2.gz WPBNGGJTRUAHQQ-WMZOPIPTSA-N 1 2 314.429 2.649 20 30 DFEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)c(C#N)c[nH+]1 ZINC000425232814 269914807 /nfs/dbraw/zinc/91/48/07/269914807.db2.gz XHUGTDWPFPYNLS-UHFFFAOYSA-N 1 2 321.359 2.599 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421015944 270000600 /nfs/dbraw/zinc/00/06/00/270000600.db2.gz ITEMUKDCVGLNDS-CQSZACIVSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421015944 270000601 /nfs/dbraw/zinc/00/06/01/270000601.db2.gz ITEMUKDCVGLNDS-CQSZACIVSA-N 1 2 307.191 2.686 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(C#N)c(C)c2)CC[S@]1=O ZINC000488037400 270002220 /nfs/dbraw/zinc/00/22/20/270002220.db2.gz DSJCBEFBLRXBRV-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(C)c2)CC[S@]1=O ZINC000488037400 270002221 /nfs/dbraw/zinc/00/22/21/270002221.db2.gz DSJCBEFBLRXBRV-NRFANRHFSA-N 1 2 304.459 2.990 20 30 DFEDLO N#Cc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000490764704 270002516 /nfs/dbraw/zinc/00/25/16/270002516.db2.gz UWLZSBNTSPIUBZ-FPLPWBNLSA-N 1 2 321.380 2.509 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2scnc2C)c1C#N ZINC000534469335 270003121 /nfs/dbraw/zinc/00/31/21/270003121.db2.gz GSYUIMMVUOXPJW-UHFFFAOYSA-N 1 2 315.398 2.742 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2scnc2C)c1C#N ZINC000534469335 270003122 /nfs/dbraw/zinc/00/31/22/270003122.db2.gz GSYUIMMVUOXPJW-UHFFFAOYSA-N 1 2 315.398 2.742 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000156266557 425933938 /nfs/dbraw/zinc/93/39/38/425933938.db2.gz XIQGZPOMBSNKGR-PPYMECGQSA-N 1 2 308.385 2.894 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000156664935 425935279 /nfs/dbraw/zinc/93/52/79/425935279.db2.gz DRPNPYCTTFQPTA-OAHLLOKOSA-N 1 2 300.793 2.657 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000156664935 425935281 /nfs/dbraw/zinc/93/52/81/425935281.db2.gz DRPNPYCTTFQPTA-OAHLLOKOSA-N 1 2 300.793 2.657 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000103138556 425937207 /nfs/dbraw/zinc/93/72/07/425937207.db2.gz IKVHWVQERAAYPL-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1nnc2ccccn21 ZINC000352838889 266079799 /nfs/dbraw/zinc/07/97/99/266079799.db2.gz GWRBFMGTPFEQAK-LBPRGKRZSA-N 1 2 312.402 2.688 20 30 DFEDLO CC[C@]1(C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342415795 266433762 /nfs/dbraw/zinc/43/37/62/266433762.db2.gz BDMTUUAQEWSXMR-PKOBYXMFSA-N 1 2 311.429 2.639 20 30 DFEDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676182 267077524 /nfs/dbraw/zinc/07/75/24/267077524.db2.gz VIBQVKYITZMBQS-VXGBXAGGSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676182 267077525 /nfs/dbraw/zinc/07/75/25/267077525.db2.gz VIBQVKYITZMBQS-VXGBXAGGSA-N 1 2 323.234 2.771 20 30 DFEDLO CCOC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1 ZINC000425215357 267132154 /nfs/dbraw/zinc/13/21/54/267132154.db2.gz MXSCRCGDSAFOQI-MRXNPFEDSA-N 1 2 323.396 2.518 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488395390 267145290 /nfs/dbraw/zinc/14/52/90/267145290.db2.gz HQKRDWJPMDOPCO-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488395390 267145292 /nfs/dbraw/zinc/14/52/92/267145292.db2.gz HQKRDWJPMDOPCO-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353217898 267182570 /nfs/dbraw/zinc/18/25/70/267182570.db2.gz IFOUNUASWWIDCZ-JTQLQIEISA-N 1 2 316.311 2.521 20 30 DFEDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C#N)c1 ZINC000393328539 267185103 /nfs/dbraw/zinc/18/51/03/267185103.db2.gz XCHWCTFQVPWUQK-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CN1C(C)=O ZINC000472325962 267231288 /nfs/dbraw/zinc/23/12/88/267231288.db2.gz ZEEZRCPNAMXQEW-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CN1C(C)=O ZINC000472325962 267231291 /nfs/dbraw/zinc/23/12/91/267231291.db2.gz ZEEZRCPNAMXQEW-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763436 267258016 /nfs/dbraw/zinc/25/80/16/267258016.db2.gz PCRUKEJKCGZENE-SECBINFHSA-N 1 2 318.768 2.706 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000350158054 267286176 /nfs/dbraw/zinc/28/61/76/267286176.db2.gz OLOZUABHOPERID-OAHLLOKOSA-N 1 2 309.373 2.873 20 30 DFEDLO C[N@H+](Cc1nncn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000444597288 267324884 /nfs/dbraw/zinc/32/48/84/267324884.db2.gz ZFOIKBIYVQRKQN-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1nncn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000444597288 267324886 /nfs/dbraw/zinc/32/48/86/267324886.db2.gz ZFOIKBIYVQRKQN-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000444587777 267325303 /nfs/dbraw/zinc/32/53/03/267325303.db2.gz CAVWRAUSJXHBCK-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000444587777 267325307 /nfs/dbraw/zinc/32/53/07/267325307.db2.gz CAVWRAUSJXHBCK-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000027457398 267388786 /nfs/dbraw/zinc/38/87/86/267388786.db2.gz NESPXPMHZVXRNS-UHFFFAOYSA-N 1 2 323.371 2.655 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000016588948 425785578 /nfs/dbraw/zinc/78/55/78/425785578.db2.gz XXFXGCGDTHKOOR-ZDUSSCGKSA-N 1 2 301.415 2.735 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000016588948 425785582 /nfs/dbraw/zinc/78/55/82/425785582.db2.gz XXFXGCGDTHKOOR-ZDUSSCGKSA-N 1 2 301.415 2.735 20 30 DFEDLO N#CCCC[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780317 425796264 /nfs/dbraw/zinc/79/62/64/425796264.db2.gz LIPPFEDXIILYFR-UHFFFAOYSA-N 1 2 300.431 2.718 20 30 DFEDLO N#Cc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ccn1 ZINC000342918070 268000942 /nfs/dbraw/zinc/00/09/42/268000942.db2.gz PAECYDMYYMFYRV-UHFFFAOYSA-N 1 2 301.353 2.702 20 30 DFEDLO N#Cc1ccc(CC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000342014760 268056517 /nfs/dbraw/zinc/05/65/17/268056517.db2.gz AUXHCULLYYDZHT-UHFFFAOYSA-N 1 2 316.364 2.807 20 30 DFEDLO Cc1cccc2[nH+]cc(CN3CC(Oc4ccc(C#N)cc4)C3)n21 ZINC000459610004 268059925 /nfs/dbraw/zinc/05/99/25/268059925.db2.gz KEBVFMFPSSWQIS-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C/c1ccc(C#N)cc1)CCC2 ZINC000492239734 268069594 /nfs/dbraw/zinc/06/95/94/268069594.db2.gz PPBGTCDLRIIRHL-KBOKABMXSA-N 1 2 320.396 2.770 20 30 DFEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000047258914 425868732 /nfs/dbraw/zinc/86/87/32/425868732.db2.gz KOJHATRGHIJSOJ-NSHDSACASA-N 1 2 314.414 2.782 20 30 DFEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000047258914 425868733 /nfs/dbraw/zinc/86/87/33/425868733.db2.gz KOJHATRGHIJSOJ-NSHDSACASA-N 1 2 314.414 2.782 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)c(OC(F)F)c1 ZINC000346151500 268076703 /nfs/dbraw/zinc/07/67/03/268076703.db2.gz QDCFHRHBNBXQKB-CYBMUJFWSA-N 1 2 322.311 2.966 20 30 DFEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)oc1C ZINC000528783642 268077004 /nfs/dbraw/zinc/07/70/04/268077004.db2.gz PBVAZJAMCNRTRE-UHFFFAOYSA-N 1 2 311.385 2.959 20 30 DFEDLO Cc1[nH]c(C#N)cc1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000448701334 268081085 /nfs/dbraw/zinc/08/10/85/268081085.db2.gz ZXTIWGYBVSYBEO-UHFFFAOYSA-N 1 2 321.384 2.673 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC(C)=C[C@@H](C)C2)c(C#N)c1C ZINC000430286102 268104776 /nfs/dbraw/zinc/10/47/76/268104776.db2.gz WMVNCMSTXRAIEN-MFKMUULPSA-N 1 2 301.390 2.993 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC(C)=C[C@@H](C)C2)c(C#N)c1C ZINC000430286102 268104779 /nfs/dbraw/zinc/10/47/79/268104779.db2.gz WMVNCMSTXRAIEN-MFKMUULPSA-N 1 2 301.390 2.993 20 30 DFEDLO Cc1oc2nc(C[N@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000493826905 268106088 /nfs/dbraw/zinc/10/60/88/268106088.db2.gz YETXNOCPGGXQLQ-UHFFFAOYSA-N 1 2 321.384 2.926 20 30 DFEDLO Cc1oc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000493826905 268106092 /nfs/dbraw/zinc/10/60/92/268106092.db2.gz YETXNOCPGGXQLQ-UHFFFAOYSA-N 1 2 321.384 2.926 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/C3CCC3)CC2)cc1 ZINC000492079089 268218786 /nfs/dbraw/zinc/21/87/86/268218786.db2.gz BBWVJPRIDKVGHO-CMDGGOBGSA-N 1 2 309.413 2.559 20 30 DFEDLO N#Cc1ccc2[nH+]cc(C=Cc3cc(=O)[nH]c(C4CC4)n3)n2c1 ZINC000352026950 268224149 /nfs/dbraw/zinc/22/41/49/268224149.db2.gz LVBOCJHQTVBZMN-SNAWJCMRSA-N 1 2 303.325 2.749 20 30 DFEDLO N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000422213457 268227545 /nfs/dbraw/zinc/22/75/45/268227545.db2.gz GATBJRFDRPSKNX-ZDUSSCGKSA-N 1 2 315.402 2.780 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000174579162 268246820 /nfs/dbraw/zinc/24/68/20/268246820.db2.gz FMGZFEWSONEDKW-FQEVSTJZSA-N 1 2 316.408 2.941 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)cc2F)C(N)=O)cc1 ZINC000488129318 268263906 /nfs/dbraw/zinc/26/39/06/268263906.db2.gz RAWNMGJQQCHSQH-HNNXBMFYSA-N 1 2 317.751 2.667 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000329808732 268305741 /nfs/dbraw/zinc/30/57/41/268305741.db2.gz PNXUGZKENPASDE-UHFFFAOYSA-N 1 2 318.402 2.650 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(C#N)cs2)CC1(C)C ZINC000333111209 268374827 /nfs/dbraw/zinc/37/48/27/268374827.db2.gz SDJCOEOCLIFDDA-GFCCVEGCSA-N 1 2 300.387 2.577 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000049924351 425880746 /nfs/dbraw/zinc/88/07/46/425880746.db2.gz CFRGCFNCGMMOAL-UHFFFAOYSA-N 1 2 311.429 2.805 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124797909 425939001 /nfs/dbraw/zinc/93/90/01/425939001.db2.gz RWEXYOCWMGAWFC-QAPCUYQASA-N 1 2 315.417 2.924 20 30 DFEDLO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124797909 425939004 /nfs/dbraw/zinc/93/90/04/425939004.db2.gz RWEXYOCWMGAWFC-QAPCUYQASA-N 1 2 315.417 2.924 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000336792034 268434806 /nfs/dbraw/zinc/43/48/06/268434806.db2.gz QEOOZTFSFVKSKU-NSHDSACASA-N 1 2 309.207 2.525 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000336792034 268434807 /nfs/dbraw/zinc/43/48/07/268434807.db2.gz QEOOZTFSFVKSKU-NSHDSACASA-N 1 2 309.207 2.525 20 30 DFEDLO C[N@H+](CCC(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000104678024 425964560 /nfs/dbraw/zinc/96/45/60/425964560.db2.gz XRDCQDVHHZMWSS-ZDUSSCGKSA-N 1 2 311.307 2.548 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000104678024 425964565 /nfs/dbraw/zinc/96/45/65/425964565.db2.gz XRDCQDVHHZMWSS-ZDUSSCGKSA-N 1 2 311.307 2.548 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1C#N ZINC000106242995 425972231 /nfs/dbraw/zinc/97/22/31/425972231.db2.gz JABDJBHRFJQARI-QWRGUYRKSA-N 1 2 300.387 2.693 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000073868143 426033596 /nfs/dbraw/zinc/03/35/96/426033596.db2.gz UQAYJAKEVDFYBJ-QGZVFWFLSA-N 1 2 309.369 2.697 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000073868143 426033598 /nfs/dbraw/zinc/03/35/98/426033598.db2.gz UQAYJAKEVDFYBJ-QGZVFWFLSA-N 1 2 309.369 2.697 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000161665360 426034221 /nfs/dbraw/zinc/03/42/21/426034221.db2.gz YKJUTFPEQGHRHM-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO C=C(Br)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000127240600 426057011 /nfs/dbraw/zinc/05/70/11/426057011.db2.gz KKXGCZQXXFMKSC-LBPRGKRZSA-N 1 2 317.614 2.539 20 30 DFEDLO C=C(Br)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000127240424 426057343 /nfs/dbraw/zinc/05/73/43/426057343.db2.gz KKXGCZQXXFMKSC-GFCCVEGCSA-N 1 2 317.614 2.539 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072073600 426009360 /nfs/dbraw/zinc/00/93/60/426009360.db2.gz SVNKVGBECHBRDB-UHFFFAOYSA-N 1 2 322.368 2.789 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000128004545 426096540 /nfs/dbraw/zinc/09/65/40/426096540.db2.gz MFHMJCUDXCLNOM-QGZVFWFLSA-N 1 2 307.353 2.748 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000128304070 426111392 /nfs/dbraw/zinc/11/13/92/426111392.db2.gz WYGMGSAMGDYYLW-UHFFFAOYSA-N 1 2 316.445 2.942 20 30 DFEDLO C=CCCCN(C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164871832 426118591 /nfs/dbraw/zinc/11/85/91/426118591.db2.gz HUWHFDDXGVBLCF-HNNXBMFYSA-N 1 2 302.422 2.658 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000128508619 426120396 /nfs/dbraw/zinc/12/03/96/426120396.db2.gz ANYIDOGTUZIURC-UHFFFAOYSA-N 1 2 305.378 2.594 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000128508619 426120398 /nfs/dbraw/zinc/12/03/98/426120398.db2.gz ANYIDOGTUZIURC-UHFFFAOYSA-N 1 2 305.378 2.594 20 30 DFEDLO COCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000112353027 426074262 /nfs/dbraw/zinc/07/42/62/426074262.db2.gz XNBAJOUGULXHHO-UHFFFAOYSA-N 1 2 321.808 2.509 20 30 DFEDLO N#Cc1cnc(NCc2cccnc2-n2cc[nH+]c2)c(Cl)c1 ZINC000114708740 426142145 /nfs/dbraw/zinc/14/21/45/426142145.db2.gz DWMYDFSBOGWURY-UHFFFAOYSA-N 1 2 310.748 2.799 20 30 DFEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000114725079 426143918 /nfs/dbraw/zinc/14/39/18/426143918.db2.gz CBYPXBYGVVKGEQ-OAHLLOKOSA-N 1 2 317.433 2.525 20 30 DFEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000114725079 426143920 /nfs/dbraw/zinc/14/39/20/426143920.db2.gz CBYPXBYGVVKGEQ-OAHLLOKOSA-N 1 2 317.433 2.525 20 30 DFEDLO N#Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)s1 ZINC000130170408 426149990 /nfs/dbraw/zinc/14/99/90/426149990.db2.gz GLSMSWJDIBHHOX-UHFFFAOYSA-N 1 2 305.428 2.852 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000130870908 426162487 /nfs/dbraw/zinc/16/24/87/426162487.db2.gz IOPYPJVRWQYQJM-GUYCJALGSA-N 1 2 314.385 2.658 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000115535744 426166767 /nfs/dbraw/zinc/16/67/67/426166767.db2.gz XBHCKLQOJANXSD-HZPDHXFCSA-N 1 2 311.410 2.983 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000115535744 426166768 /nfs/dbraw/zinc/16/67/68/426166768.db2.gz XBHCKLQOJANXSD-HZPDHXFCSA-N 1 2 311.410 2.983 20 30 DFEDLO N#CCc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000078396388 426168359 /nfs/dbraw/zinc/16/83/59/426168359.db2.gz CUMNOJKLTLPUNL-UHFFFAOYSA-N 1 2 311.410 2.811 20 30 DFEDLO N#CCc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000078396388 426168360 /nfs/dbraw/zinc/16/83/60/426168360.db2.gz CUMNOJKLTLPUNL-UHFFFAOYSA-N 1 2 311.410 2.811 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1SCC#N ZINC000078636184 426178264 /nfs/dbraw/zinc/17/82/64/426178264.db2.gz ATNAMAIPJYNWDF-UHFFFAOYSA-N 1 2 301.415 2.915 20 30 DFEDLO N#CCC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)CC1CC1 ZINC000081514784 426223397 /nfs/dbraw/zinc/22/33/97/426223397.db2.gz ODGCTAGVVVSITD-UHFFFAOYSA-N 1 2 311.429 2.803 20 30 DFEDLO N#CCC[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)CC1CC1 ZINC000081514784 426223401 /nfs/dbraw/zinc/22/34/01/426223401.db2.gz ODGCTAGVVVSITD-UHFFFAOYSA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1C#N ZINC000172536745 426227948 /nfs/dbraw/zinc/22/79/48/426227948.db2.gz MWANNKCHUORJDL-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1C#N ZINC000172536745 426227952 /nfs/dbraw/zinc/22/79/52/426227952.db2.gz MWANNKCHUORJDL-ZDUSSCGKSA-N 1 2 304.390 2.599 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000136060673 426234738 /nfs/dbraw/zinc/23/47/38/426234738.db2.gz DFBHCMDPMHXWEB-LBPRGKRZSA-N 1 2 313.243 2.947 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000136060673 426234741 /nfs/dbraw/zinc/23/47/41/426234741.db2.gz DFBHCMDPMHXWEB-LBPRGKRZSA-N 1 2 313.243 2.947 20 30 DFEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000118414625 426235877 /nfs/dbraw/zinc/23/58/77/426235877.db2.gz HXPOSQUJDPLXRR-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000118414625 426235879 /nfs/dbraw/zinc/23/58/79/426235879.db2.gz HXPOSQUJDPLXRR-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118959435 426252557 /nfs/dbraw/zinc/25/25/57/426252557.db2.gz MJHSSMZKCYUXPJ-WMLDXEAASA-N 1 2 322.412 2.927 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000174259697 426252724 /nfs/dbraw/zinc/25/27/24/426252724.db2.gz NWNBZWLQZISRSX-MRXNPFEDSA-N 1 2 310.332 2.903 20 30 DFEDLO N#Cc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174571561 426260653 /nfs/dbraw/zinc/26/06/53/426260653.db2.gz RZIPEHDHQNGGNA-HXUWFJFHSA-N 1 2 316.408 2.941 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120450658 426310855 /nfs/dbraw/zinc/31/08/55/426310855.db2.gz ZENDAMPFWOJJAW-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120450658 426310857 /nfs/dbraw/zinc/31/08/57/426310857.db2.gz ZENDAMPFWOJJAW-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO N#CCC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000121002237 426319365 /nfs/dbraw/zinc/31/93/65/426319365.db2.gz RPEOIWBULPXVOM-HOTGVXAUSA-N 1 2 308.385 2.607 20 30 DFEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000121304646 426333133 /nfs/dbraw/zinc/33/31/33/426333133.db2.gz ICISECIDQNRFKT-ZDUSSCGKSA-N 1 2 303.431 2.995 20 30 DFEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000121304646 426333136 /nfs/dbraw/zinc/33/31/36/426333136.db2.gz ICISECIDQNRFKT-ZDUSSCGKSA-N 1 2 303.431 2.995 20 30 DFEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000121336320 426334852 /nfs/dbraw/zinc/33/48/52/426334852.db2.gz AUVZWJRMUZAUFI-LJQANCHMSA-N 1 2 322.383 2.915 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000121336320 426334855 /nfs/dbraw/zinc/33/48/55/426334855.db2.gz AUVZWJRMUZAUFI-LJQANCHMSA-N 1 2 322.383 2.915 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176607232 426397740 /nfs/dbraw/zinc/39/77/40/426397740.db2.gz TXYMWGUTAPHPTF-GJZGRUSLSA-N 1 2 322.474 2.982 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176607232 426397743 /nfs/dbraw/zinc/39/77/43/426397743.db2.gz TXYMWGUTAPHPTF-GJZGRUSLSA-N 1 2 322.474 2.982 20 30 DFEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091981861 426345658 /nfs/dbraw/zinc/34/56/58/426345658.db2.gz XMZAQSCEFVLMDQ-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091981861 426345663 /nfs/dbraw/zinc/34/56/63/426345663.db2.gz XMZAQSCEFVLMDQ-INIZCTEOSA-N 1 2 318.417 2.989 20 30 DFEDLO C=CC[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092360937 426348624 /nfs/dbraw/zinc/34/86/24/426348624.db2.gz DGGIYTVRIVTCDM-QGZVFWFLSA-N 1 2 307.459 2.787 20 30 DFEDLO C=CC[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092360937 426348626 /nfs/dbraw/zinc/34/86/26/426348626.db2.gz DGGIYTVRIVTCDM-QGZVFWFLSA-N 1 2 307.459 2.787 20 30 DFEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176074012 426349698 /nfs/dbraw/zinc/34/96/98/426349698.db2.gz WHEODTLNODFXID-LBPRGKRZSA-N 1 2 305.341 2.563 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000093647591 426357902 /nfs/dbraw/zinc/35/79/02/426357902.db2.gz QEYIXMFBCMGLKH-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000093647591 426357905 /nfs/dbraw/zinc/35/79/05/426357905.db2.gz QEYIXMFBCMGLKH-SFHVURJKSA-N 1 2 313.401 2.558 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154398212 426439499 /nfs/dbraw/zinc/43/94/99/426439499.db2.gz XGXYOOGQFLVLLZ-INIZCTEOSA-N 1 2 305.378 2.890 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154398212 426439503 /nfs/dbraw/zinc/43/95/03/426439503.db2.gz XGXYOOGQFLVLLZ-INIZCTEOSA-N 1 2 305.378 2.890 20 30 DFEDLO Cn1cc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000154585730 426445767 /nfs/dbraw/zinc/44/57/67/426445767.db2.gz WVIYSQFSAUXIIA-UHFFFAOYSA-N 1 2 323.318 2.802 20 30 DFEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000154585730 426445769 /nfs/dbraw/zinc/44/57/69/426445769.db2.gz WVIYSQFSAUXIIA-UHFFFAOYSA-N 1 2 323.318 2.802 20 30 DFEDLO COc1cc[nH+]cc1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000341405029 269072640 /nfs/dbraw/zinc/07/26/40/269072640.db2.gz WVMJTEHSPLFCNV-UHFFFAOYSA-N 1 2 305.341 2.577 20 30 DFEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439435 269077330 /nfs/dbraw/zinc/07/73/30/269077330.db2.gz KPMKMPZJFKEJHN-DOTOQJQBSA-N 1 2 309.369 2.823 20 30 DFEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000341439435 269077332 /nfs/dbraw/zinc/07/73/32/269077332.db2.gz KPMKMPZJFKEJHN-DOTOQJQBSA-N 1 2 309.369 2.823 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000177164803 426450655 /nfs/dbraw/zinc/45/06/55/426450655.db2.gz HEOHEVPWJUVEMY-CHWSQXEVSA-N 1 2 321.471 2.552 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000177164803 426450658 /nfs/dbraw/zinc/45/06/58/426450658.db2.gz HEOHEVPWJUVEMY-CHWSQXEVSA-N 1 2 321.471 2.552 20 30 DFEDLO CC#CCCO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000154866471 426458963 /nfs/dbraw/zinc/45/89/63/426458963.db2.gz FYHBMQXVWVHATP-UHFFFAOYSA-N 1 2 310.401 2.599 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155274565 426467312 /nfs/dbraw/zinc/46/73/12/426467312.db2.gz DJANLGISSGQLJN-XJKSGUPXSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](CC)C[C@@H](C)C#N ZINC000155274565 426467316 /nfs/dbraw/zinc/46/73/16/426467316.db2.gz DJANLGISSGQLJN-XJKSGUPXSA-N 1 2 303.406 2.894 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177341176 426470009 /nfs/dbraw/zinc/47/00/09/426470009.db2.gz INTNDUMFFGULHH-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177341176 426470011 /nfs/dbraw/zinc/47/00/11/426470011.db2.gz INTNDUMFFGULHH-CYBMUJFWSA-N 1 2 304.365 2.861 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000101558197 426484557 /nfs/dbraw/zinc/48/45/57/426484557.db2.gz NHNGTJJZMGBFMG-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO N#Cc1ccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000194742963 426491786 /nfs/dbraw/zinc/49/17/86/426491786.db2.gz INGWTWJVLZBPLE-UHFFFAOYSA-N 1 2 302.337 2.925 20 30 DFEDLO CC[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272601558 426569136 /nfs/dbraw/zinc/56/91/36/426569136.db2.gz OVGFTZMABLCXDQ-HOTGVXAUSA-N 1 2 313.445 2.885 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000265257537 426607660 /nfs/dbraw/zinc/60/76/60/426607660.db2.gz BAWJYHZNKXSUSC-WFASDCNBSA-N 1 2 316.380 2.912 20 30 DFEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(/C=C/c3ccc(C#N)cc3)n2)C1 ZINC000272565104 426561701 /nfs/dbraw/zinc/56/17/01/426561701.db2.gz CKPPMXJFPZAKQP-WAVCKPEOSA-N 1 2 324.384 2.893 20 30 DFEDLO CC(C)[N@H+]1CCO[C@H](c2noc(/C=C/c3ccc(C#N)cc3)n2)C1 ZINC000272565104 426561704 /nfs/dbraw/zinc/56/17/04/426561704.db2.gz CKPPMXJFPZAKQP-WAVCKPEOSA-N 1 2 324.384 2.893 20 30 DFEDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000265460370 426640807 /nfs/dbraw/zinc/64/08/07/426640807.db2.gz FIRRGCQTCYKXJP-INIZCTEOSA-N 1 2 306.413 2.832 20 30 DFEDLO Cc1ccnc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000273314971 426641283 /nfs/dbraw/zinc/64/12/83/426641283.db2.gz JDDKFSHYKSQTCX-UHFFFAOYSA-N 1 2 309.295 2.657 20 30 DFEDLO Cc1ccnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000273324638 426643761 /nfs/dbraw/zinc/64/37/61/426643761.db2.gz KZXPKAAXUSGGEF-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO N#Cc1cccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000265598872 426659536 /nfs/dbraw/zinc/65/95/36/426659536.db2.gz ZGEZTVDQZVDGIU-CQSZACIVSA-N 1 2 314.414 2.500 20 30 DFEDLO N#CC[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000265641931 426666040 /nfs/dbraw/zinc/66/60/40/426666040.db2.gz KBXDTQHPWGOJMB-QGZVFWFLSA-N 1 2 322.836 2.986 20 30 DFEDLO N#CC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCC1 ZINC000265641931 426666045 /nfs/dbraw/zinc/66/60/45/426666045.db2.gz KBXDTQHPWGOJMB-QGZVFWFLSA-N 1 2 322.836 2.986 20 30 DFEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000281350013 426714187 /nfs/dbraw/zinc/71/41/87/426714187.db2.gz NBROHZNPRTZZCG-BDAKNGLRSA-N 1 2 319.352 2.599 20 30 DFEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1=O ZINC000281409970 426719079 /nfs/dbraw/zinc/71/90/79/426719079.db2.gz RADZPCYWHUAPNO-RTBURBONSA-N 1 2 321.424 2.856 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000281492093 426721350 /nfs/dbraw/zinc/72/13/50/426721350.db2.gz WFIWRZTXVJUVEY-CYBMUJFWSA-N 1 2 324.494 2.550 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179203448 426768769 /nfs/dbraw/zinc/76/87/69/426768769.db2.gz IHEIHAOSZSFXLS-OAHLLOKOSA-N 1 2 321.384 2.662 20 30 DFEDLO C#CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)C1CC1 ZINC000274196300 426723308 /nfs/dbraw/zinc/72/33/08/426723308.db2.gz QVWPCBRSPGEHIM-UHFFFAOYSA-N 1 2 311.410 2.507 20 30 DFEDLO C#CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)C1CC1 ZINC000274196300 426723314 /nfs/dbraw/zinc/72/33/14/426723314.db2.gz QVWPCBRSPGEHIM-UHFFFAOYSA-N 1 2 311.410 2.507 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000274240414 426729750 /nfs/dbraw/zinc/72/97/50/426729750.db2.gz HESURVSKJJEHEY-ZDUSSCGKSA-N 1 2 309.329 2.552 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274259412 426731439 /nfs/dbraw/zinc/73/14/39/426731439.db2.gz BFXHRNJPPHVCNC-SJLPKXTDSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274259412 426731445 /nfs/dbraw/zinc/73/14/45/426731445.db2.gz BFXHRNJPPHVCNC-SJLPKXTDSA-N 1 2 316.445 2.606 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000266890155 426789131 /nfs/dbraw/zinc/78/91/31/426789131.db2.gz CPBSRJLVEDXVCB-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000266890155 426789135 /nfs/dbraw/zinc/78/91/35/426789135.db2.gz CPBSRJLVEDXVCB-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000266967237 426805556 /nfs/dbraw/zinc/80/55/56/426805556.db2.gz YPVACFXABLSPAT-INIZCTEOSA-N 1 2 324.428 2.771 20 30 DFEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000266967237 426805561 /nfs/dbraw/zinc/80/55/61/426805561.db2.gz YPVACFXABLSPAT-INIZCTEOSA-N 1 2 324.428 2.771 20 30 DFEDLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000267176710 426837824 /nfs/dbraw/zinc/83/78/24/426837824.db2.gz FWQBWIXVGLTMDQ-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000189431511 426853138 /nfs/dbraw/zinc/85/31/38/426853138.db2.gz CHQPNUSSWPNNHK-ZDUSSCGKSA-N 1 2 305.727 2.937 20 30 DFEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000189431511 426853141 /nfs/dbraw/zinc/85/31/41/426853141.db2.gz CHQPNUSSWPNNHK-ZDUSSCGKSA-N 1 2 305.727 2.937 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267337946 426874356 /nfs/dbraw/zinc/87/43/56/426874356.db2.gz KOXHMKQKTVCFAK-OAHLLOKOSA-N 1 2 305.809 2.849 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267337946 426874361 /nfs/dbraw/zinc/87/43/61/426874361.db2.gz KOXHMKQKTVCFAK-OAHLLOKOSA-N 1 2 305.809 2.849 20 30 DFEDLO C=CCCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275760219 426910875 /nfs/dbraw/zinc/91/08/75/426910875.db2.gz WUKIGIARNCYUBI-OAHLLOKOSA-N 1 2 315.417 2.628 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275953910 426954665 /nfs/dbraw/zinc/95/46/65/426954665.db2.gz ALKNZHHORACOQB-PKOBYXMFSA-N 1 2 316.445 2.606 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275953910 426954671 /nfs/dbraw/zinc/95/46/71/426954671.db2.gz ALKNZHHORACOQB-PKOBYXMFSA-N 1 2 316.445 2.606 20 30 DFEDLO O=C(N[C@@H]1CCCC12CCOCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328637633 426983379 /nfs/dbraw/zinc/98/33/79/426983379.db2.gz AZSVKCFVOBOLKG-DZGCQCFKSA-N 1 2 303.406 2.751 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)c1nnc2n1CCCC2 ZINC000181836084 426985049 /nfs/dbraw/zinc/98/50/49/426985049.db2.gz SUWKFXUOBNYSCA-WDEREUQCSA-N 1 2 301.419 2.959 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ncoc1C1CC1 ZINC000328789365 427000006 /nfs/dbraw/zinc/00/00/06/427000006.db2.gz YEMKHWPKXUCTCJ-UHFFFAOYSA-N 1 2 300.362 2.632 20 30 DFEDLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000328855906 427003610 /nfs/dbraw/zinc/00/36/10/427003610.db2.gz UCCQIIFQCOQSKJ-LBPRGKRZSA-N 1 2 312.364 2.857 20 30 DFEDLO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000328855906 427003614 /nfs/dbraw/zinc/00/36/14/427003614.db2.gz UCCQIIFQCOQSKJ-LBPRGKRZSA-N 1 2 312.364 2.857 20 30 DFEDLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000328855905 427003974 /nfs/dbraw/zinc/00/39/74/427003974.db2.gz UCCQIIFQCOQSKJ-GFCCVEGCSA-N 1 2 312.364 2.857 20 30 DFEDLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000328855905 427003981 /nfs/dbraw/zinc/00/39/81/427003981.db2.gz UCCQIIFQCOQSKJ-GFCCVEGCSA-N 1 2 312.364 2.857 20 30 DFEDLO Cc1cccc([C@H](CNc2ccnc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000283407151 427011066 /nfs/dbraw/zinc/01/10/66/427011066.db2.gz APFUVWQRZUQVGR-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CCCCCC1 ZINC000328994655 427021153 /nfs/dbraw/zinc/02/11/53/427021153.db2.gz WCOTZBBHCIUPAA-BBWFWOEESA-N 1 2 324.465 2.528 20 30 DFEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CCCCCC1 ZINC000328994655 427021156 /nfs/dbraw/zinc/02/11/56/427021156.db2.gz WCOTZBBHCIUPAA-BBWFWOEESA-N 1 2 324.465 2.528 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000329027276 427027662 /nfs/dbraw/zinc/02/76/62/427027662.db2.gz OMYTVEKYWCPNFR-MCIONIFRSA-N 1 2 317.437 2.880 20 30 DFEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000329027276 427027669 /nfs/dbraw/zinc/02/76/69/427027669.db2.gz OMYTVEKYWCPNFR-MCIONIFRSA-N 1 2 317.437 2.880 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3cccs3)C2)n1 ZINC000329032554 427030401 /nfs/dbraw/zinc/03/04/01/427030401.db2.gz LUDOOTKTIVNDAI-CMPLNLGQSA-N 1 2 320.418 2.947 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)c3cccs3)C2)n1 ZINC000329032554 427030407 /nfs/dbraw/zinc/03/04/07/427030407.db2.gz LUDOOTKTIVNDAI-CMPLNLGQSA-N 1 2 320.418 2.947 20 30 DFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)n1 ZINC000329044179 427031729 /nfs/dbraw/zinc/03/17/29/427031729.db2.gz PFSVJDBLKAGXHK-NSHDSACASA-N 1 2 304.325 2.595 20 30 DFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)n1 ZINC000329044179 427031737 /nfs/dbraw/zinc/03/17/37/427031737.db2.gz PFSVJDBLKAGXHK-NSHDSACASA-N 1 2 304.325 2.595 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000190153073 427034085 /nfs/dbraw/zinc/03/40/85/427034085.db2.gz IPRJTKHHSXQZKS-WFASDCNBSA-N 1 2 322.836 2.991 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000190153073 427034095 /nfs/dbraw/zinc/03/40/95/427034095.db2.gz IPRJTKHHSXQZKS-WFASDCNBSA-N 1 2 322.836 2.991 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329070560 427036960 /nfs/dbraw/zinc/03/69/60/427036960.db2.gz NKFHVWZTYGPOTL-MUQADHOPSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329070560 427036963 /nfs/dbraw/zinc/03/69/63/427036963.db2.gz NKFHVWZTYGPOTL-MUQADHOPSA-N 1 2 324.465 2.792 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC12CCCCC2 ZINC000329129710 427049155 /nfs/dbraw/zinc/04/91/55/427049155.db2.gz WHFUNCAGACMJEM-UONOGXRCSA-N 1 2 302.422 2.987 20 30 DFEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000329141518 427052185 /nfs/dbraw/zinc/05/21/85/427052185.db2.gz KKUPMMHHQIVWTO-ZNMIVQPWSA-N 1 2 320.437 2.707 20 30 DFEDLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1CCCCO1 ZINC000329256058 427076853 /nfs/dbraw/zinc/07/68/53/427076853.db2.gz ATJHSBRHZRRECI-FPCVCCKLSA-N 1 2 320.437 2.638 20 30 DFEDLO C[C@@H]([NH+]=C([O-])N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1CCCCO1 ZINC000329256058 427076859 /nfs/dbraw/zinc/07/68/59/427076859.db2.gz ATJHSBRHZRRECI-FPCVCCKLSA-N 1 2 320.437 2.638 20 30 DFEDLO CC(C)n1ncc2c1C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000329269316 427079649 /nfs/dbraw/zinc/07/96/49/427079649.db2.gz GXZJRIZEEZXHHG-CYBMUJFWSA-N 1 2 301.394 2.634 20 30 DFEDLO N#Cc1ccccc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292088036 427086345 /nfs/dbraw/zinc/08/63/45/427086345.db2.gz FEWUBNPXUILVPV-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccccc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292088036 427086351 /nfs/dbraw/zinc/08/63/51/427086351.db2.gz FEWUBNPXUILVPV-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO O=C(NCC1(C(F)(F)F)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329312868 427086741 /nfs/dbraw/zinc/08/67/41/427086741.db2.gz GOOAUXBRLURQIW-UHFFFAOYSA-N 1 2 316.327 2.846 20 30 DFEDLO O=C(NCC1(C(F)(F)F)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329312868 427086747 /nfs/dbraw/zinc/08/67/47/427086747.db2.gz GOOAUXBRLURQIW-UHFFFAOYSA-N 1 2 316.327 2.846 20 30 DFEDLO CCC1(CC)[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C[C@H]1OC ZINC000329324768 427090397 /nfs/dbraw/zinc/09/03/97/427090397.db2.gz IHQGWUNQODSPJH-HUUCEWRRSA-N 1 2 324.465 2.792 20 30 DFEDLO Cc1ccsc1CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329327074 427094256 /nfs/dbraw/zinc/09/42/56/427094256.db2.gz UKRNMSGVBJCBRI-AWEZNQCLSA-N 1 2 318.446 2.874 20 30 DFEDLO Cc1ccsc1CC[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329327074 427094262 /nfs/dbraw/zinc/09/42/62/427094262.db2.gz UKRNMSGVBJCBRI-AWEZNQCLSA-N 1 2 318.446 2.874 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329375829 427101049 /nfs/dbraw/zinc/10/10/49/427101049.db2.gz KZXUYTJFKKOMIU-DMRZNYOFSA-N 1 2 324.465 2.646 20 30 DFEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329375829 427101057 /nfs/dbraw/zinc/10/10/57/427101057.db2.gz KZXUYTJFKKOMIU-DMRZNYOFSA-N 1 2 324.465 2.646 20 30 DFEDLO NC(=O)C1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329454402 427119000 /nfs/dbraw/zinc/11/90/00/427119000.db2.gz POQPZROXPDNOSV-SSDMNJCBSA-N 1 2 323.437 2.680 20 30 DFEDLO NC(=O)C1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329454402 427119006 /nfs/dbraw/zinc/11/90/06/427119006.db2.gz POQPZROXPDNOSV-SSDMNJCBSA-N 1 2 323.437 2.680 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1O ZINC000268941210 427136907 /nfs/dbraw/zinc/13/69/07/427136907.db2.gz DYNLAEAJCJHNBH-JFWOLLPZSA-N 1 2 308.381 2.593 20 30 DFEDLO [O-]C(NC[C@@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329538754 427137061 /nfs/dbraw/zinc/13/70/61/427137061.db2.gz CELQXRLGPKTLIN-GHMZBOCLSA-N 1 2 312.364 2.596 20 30 DFEDLO C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329536601 427138721 /nfs/dbraw/zinc/13/87/21/427138721.db2.gz BDNRCTJWFFBXHX-TZMCWYRMSA-N 1 2 310.401 2.800 20 30 DFEDLO C=C(C)[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000292615323 427195352 /nfs/dbraw/zinc/19/53/52/427195352.db2.gz ULVUPUZTWQTKER-HNNXBMFYSA-N 1 2 320.343 2.815 20 30 DFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330240133 427208426 /nfs/dbraw/zinc/20/84/26/427208426.db2.gz VUYXUTTVPMEGFP-AWEZNQCLSA-N 1 2 318.421 2.605 20 30 DFEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330240133 427208433 /nfs/dbraw/zinc/20/84/33/427208433.db2.gz VUYXUTTVPMEGFP-AWEZNQCLSA-N 1 2 318.421 2.605 20 30 DFEDLO CC(=O)NCC[N@H+](CC#Cc1ccccc1)Cc1ccsc1 ZINC000338319055 427259955 /nfs/dbraw/zinc/25/99/55/427259955.db2.gz BEMOBMCEJVIUDC-UHFFFAOYSA-N 1 2 312.438 2.738 20 30 DFEDLO CC(=O)NCC[N@@H+](CC#Cc1ccccc1)Cc1ccsc1 ZINC000338319055 427259961 /nfs/dbraw/zinc/25/99/61/427259961.db2.gz BEMOBMCEJVIUDC-UHFFFAOYSA-N 1 2 312.438 2.738 20 30 DFEDLO C[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330535490 427261130 /nfs/dbraw/zinc/26/11/30/427261130.db2.gz OXGCCEZSADNYFK-SNVBAGLBSA-N 1 2 304.316 2.591 20 30 DFEDLO CCC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277637422 427269653 /nfs/dbraw/zinc/26/96/53/427269653.db2.gz BUPXYLMIOAFBOC-UHFFFAOYSA-N 1 2 305.809 2.703 20 30 DFEDLO CCc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000330611036 427273802 /nfs/dbraw/zinc/27/38/02/427273802.db2.gz VGHAAHMSAGICRQ-AWEZNQCLSA-N 1 2 305.422 2.604 20 30 DFEDLO Cc1cc(NC(=O)NCC[C@H](C)O)c[nH+]c1N1CCCC[C@H]1C ZINC000330782378 427301357 /nfs/dbraw/zinc/30/13/57/427301357.db2.gz PLHMFQVBGZHSFO-KGLIPLIRSA-N 1 2 320.437 2.866 20 30 DFEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCn1cc[nH+]c1 ZINC000338401139 427305150 /nfs/dbraw/zinc/30/51/50/427305150.db2.gz SKRUWZXDUDMOEK-UHFFFAOYSA-N 1 2 312.760 2.732 20 30 DFEDLO O=C(NCC(F)(F)F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000330838996 427307984 /nfs/dbraw/zinc/30/79/84/427307984.db2.gz MSKNWNSEPRWLDS-XYPYZODXSA-N 1 2 316.327 2.871 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000330833711 427308417 /nfs/dbraw/zinc/30/84/17/427308417.db2.gz VKZKNWYTLNMKSV-RHSMWYFYSA-N 1 2 303.406 2.861 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000330833711 427308424 /nfs/dbraw/zinc/30/84/24/427308424.db2.gz VKZKNWYTLNMKSV-RHSMWYFYSA-N 1 2 303.406 2.861 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H](OC)C(C)C)C1 ZINC000330958261 427321084 /nfs/dbraw/zinc/32/10/84/427321084.db2.gz WLVLJIFXFQRWLG-CABCVRRESA-N 1 2 322.453 2.667 20 30 DFEDLO N#Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338637641 271568596 /nfs/dbraw/zinc/56/85/96/271568596.db2.gz UYGVEJHRTFYTGK-UHFFFAOYSA-N 1 2 307.313 2.997 20 30 DFEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000331082129 427340732 /nfs/dbraw/zinc/34/07/32/427340732.db2.gz AXVCKPMWHFAPTC-UHFFFAOYSA-N 1 2 320.824 2.643 20 30 DFEDLO CC(C)CC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331119177 427350342 /nfs/dbraw/zinc/35/03/42/427350342.db2.gz NPGYEAWRWQYFIN-ROUUACIJSA-N 1 2 302.418 2.729 20 30 DFEDLO CC(C)CC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331119177 427350345 /nfs/dbraw/zinc/35/03/45/427350345.db2.gz NPGYEAWRWQYFIN-ROUUACIJSA-N 1 2 302.418 2.729 20 30 DFEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1C#N ZINC000285618921 427291729 /nfs/dbraw/zinc/29/17/29/427291729.db2.gz KQHILZWDPFIONL-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1C#N ZINC000285618921 427291736 /nfs/dbraw/zinc/29/17/36/427291736.db2.gz KQHILZWDPFIONL-OAHLLOKOSA-N 1 2 312.373 2.986 20 30 DFEDLO CC(C)c1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000331229279 427374981 /nfs/dbraw/zinc/37/49/81/427374981.db2.gz GHGANFJPJNXOFN-ZDUSSCGKSA-N 1 2 306.406 2.541 20 30 DFEDLO Cc1cc(C[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]n1 ZINC000331241827 427377811 /nfs/dbraw/zinc/37/78/11/427377811.db2.gz QQFZDNJXFOPFSE-NSHDSACASA-N 1 2 301.394 2.995 20 30 DFEDLO Cc1cc(C[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)n[nH]1 ZINC000331241827 427377815 /nfs/dbraw/zinc/37/78/15/427377815.db2.gz QQFZDNJXFOPFSE-NSHDSACASA-N 1 2 301.394 2.995 20 30 DFEDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000331250386 427381173 /nfs/dbraw/zinc/38/11/73/427381173.db2.gz YRWFKFOIBFYXQB-QMMMGPOBSA-N 1 2 303.189 2.955 20 30 DFEDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000331250386 427381179 /nfs/dbraw/zinc/38/11/79/427381179.db2.gz YRWFKFOIBFYXQB-QMMMGPOBSA-N 1 2 303.189 2.955 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000271049279 427389928 /nfs/dbraw/zinc/38/99/28/427389928.db2.gz UIRPBTZZHCIZHF-UHFFFAOYSA-N 1 2 322.437 2.809 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000271049279 427389932 /nfs/dbraw/zinc/38/99/32/427389932.db2.gz UIRPBTZZHCIZHF-UHFFFAOYSA-N 1 2 322.437 2.809 20 30 DFEDLO Cc1cc(C)c(NC(=O)N(CCO)C2CCSCC2)c(C)[nH+]1 ZINC000331316027 427396569 /nfs/dbraw/zinc/39/65/69/427396569.db2.gz JCBBBUUVKIZBHC-UHFFFAOYSA-N 1 2 323.462 2.742 20 30 DFEDLO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331305727 427396631 /nfs/dbraw/zinc/39/66/31/427396631.db2.gz WXPNOQUMYUPWDZ-GHMZBOCLSA-N 1 2 318.343 2.980 20 30 DFEDLO CC[N@H+](Cc1oncc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000286049761 427410850 /nfs/dbraw/zinc/41/08/50/427410850.db2.gz RBPPRDRMXNROBD-GFCCVEGCSA-N 1 2 313.357 2.916 20 30 DFEDLO CC[N@@H+](Cc1oncc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000286049761 427410858 /nfs/dbraw/zinc/41/08/58/427410858.db2.gz RBPPRDRMXNROBD-GFCCVEGCSA-N 1 2 313.357 2.916 20 30 DFEDLO C#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000297530278 427413546 /nfs/dbraw/zinc/41/35/46/427413546.db2.gz IDZGSRBTQPOCOB-INIZCTEOSA-N 1 2 308.385 2.828 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nccs2)c(C#N)c1C ZINC000184403931 427453250 /nfs/dbraw/zinc/45/32/50/427453250.db2.gz KYTKBKIYCXQSCZ-ZJUUUORDSA-N 1 2 318.402 2.902 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OC ZINC000271181654 427435215 /nfs/dbraw/zinc/43/52/15/427435215.db2.gz HSVXZVPPBCNVGX-QLEMLULZSA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1OC ZINC000271181654 427435221 /nfs/dbraw/zinc/43/52/21/427435221.db2.gz HSVXZVPPBCNVGX-QLEMLULZSA-N 1 2 323.458 2.601 20 30 DFEDLO CC[N@H+](CC#Cc1ccccc1)CC(=O)NCc1ccc(F)cc1 ZINC000191868831 427436464 /nfs/dbraw/zinc/43/64/64/427436464.db2.gz SMMBJNRGMDGVDG-UHFFFAOYSA-N 1 2 324.399 2.816 20 30 DFEDLO CC[N@@H+](CC#Cc1ccccc1)CC(=O)NCc1ccc(F)cc1 ZINC000191868831 427436469 /nfs/dbraw/zinc/43/64/69/427436469.db2.gz SMMBJNRGMDGVDG-UHFFFAOYSA-N 1 2 324.399 2.816 20 30 DFEDLO Cc1noc(C)c1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331544121 427438196 /nfs/dbraw/zinc/43/81/96/427438196.db2.gz CUQSBNQWJBNKHO-GOSISDBHSA-N 1 2 311.385 2.779 20 30 DFEDLO Cc1noc(C)c1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331544121 427438202 /nfs/dbraw/zinc/43/82/02/427438202.db2.gz CUQSBNQWJBNKHO-GOSISDBHSA-N 1 2 311.385 2.779 20 30 DFEDLO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000341100683 271779731 /nfs/dbraw/zinc/77/97/31/271779731.db2.gz OJRCTKVHTGUYRC-SCLBCKFNSA-N 1 2 323.396 2.834 20 30 DFEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000184609986 427503309 /nfs/dbraw/zinc/50/33/09/427503309.db2.gz BTPDXUBEHAHSMZ-AWEZNQCLSA-N 1 2 312.442 2.894 20 30 DFEDLO C#CCCCCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000271350169 427504053 /nfs/dbraw/zinc/50/40/53/427504053.db2.gz GHTLJDVGZBYKTJ-UHFFFAOYSA-N 1 2 301.312 2.597 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000192224217 427506029 /nfs/dbraw/zinc/50/60/29/427506029.db2.gz LYUGNZUIXOLEAD-QGZVFWFLSA-N 1 2 316.401 2.658 20 30 DFEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000192224217 427506034 /nfs/dbraw/zinc/50/60/34/427506034.db2.gz LYUGNZUIXOLEAD-QGZVFWFLSA-N 1 2 316.401 2.658 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)C1CC1 ZINC000271398221 427524761 /nfs/dbraw/zinc/52/47/61/427524761.db2.gz LDONVVBZNGTCIO-UHFFFAOYSA-N 1 2 301.415 2.910 20 30 DFEDLO C=CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)C1CC1 ZINC000271398221 427524766 /nfs/dbraw/zinc/52/47/66/427524766.db2.gz LDONVVBZNGTCIO-UHFFFAOYSA-N 1 2 301.415 2.910 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298216749 427536519 /nfs/dbraw/zinc/53/65/19/427536519.db2.gz FFRSKPKPYSSICF-XFJVYGCCSA-N 1 2 319.355 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298216749 427536524 /nfs/dbraw/zinc/53/65/24/427536524.db2.gz FFRSKPKPYSSICF-XFJVYGCCSA-N 1 2 319.355 2.862 20 30 DFEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCOCCC#N)CC1 ZINC000338896075 427544941 /nfs/dbraw/zinc/54/49/41/427544941.db2.gz VAEUVZXJELGGMZ-HNNXBMFYSA-N 1 2 321.852 2.949 20 30 DFEDLO C#Cc1ccc(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc1 ZINC000279069945 427547026 /nfs/dbraw/zinc/54/70/26/427547026.db2.gz ROCRFLQATZOKKF-KRWDZBQOSA-N 1 2 323.392 2.734 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc1 ZINC000279069945 427547034 /nfs/dbraw/zinc/54/70/34/427547034.db2.gz ROCRFLQATZOKKF-KRWDZBQOSA-N 1 2 323.392 2.734 20 30 DFEDLO C[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338906286 427549299 /nfs/dbraw/zinc/54/92/99/427549299.db2.gz FFZIPOOWXDGNNX-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338906286 427549304 /nfs/dbraw/zinc/54/93/04/427549304.db2.gz FFZIPOOWXDGNNX-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338921314 427561895 /nfs/dbraw/zinc/56/18/95/427561895.db2.gz TVVAXMRPGNZGDW-DOMZBBRYSA-N 1 2 314.389 2.549 20 30 DFEDLO Cn1c2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2[nH+]c1C1CC1 ZINC000298441386 427610123 /nfs/dbraw/zinc/61/01/23/427610123.db2.gz PJHQLKDTPBLYNQ-UHFFFAOYSA-N 1 2 319.368 2.580 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC000279237736 427610582 /nfs/dbraw/zinc/61/05/82/427610582.db2.gz NQOJMAKXEFZIQN-UHFFFAOYSA-N 1 2 308.784 2.569 20 30 DFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017410 427628095 /nfs/dbraw/zinc/62/80/95/427628095.db2.gz LQRNFGOHZPVYDX-CJNGLKHVSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1 ZINC000339017410 427628097 /nfs/dbraw/zinc/62/80/97/427628097.db2.gz LQRNFGOHZPVYDX-CJNGLKHVSA-N 1 2 317.820 2.676 20 30 DFEDLO COc1ccc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1C#N ZINC000294762683 427655036 /nfs/dbraw/zinc/65/50/36/427655036.db2.gz JFRILDICFCJCKI-INIZCTEOSA-N 1 2 310.401 2.883 20 30 DFEDLO Cc1nn(C)c2ncc(C[N@H+](C)Cc3cc(C#N)ccc3F)cc12 ZINC000339104211 427675867 /nfs/dbraw/zinc/67/58/67/427675867.db2.gz VJNYIBOMNATIRL-UHFFFAOYSA-N 1 2 323.375 2.920 20 30 DFEDLO Cc1nn(C)c2ncc(C[N@@H+](C)Cc3cc(C#N)ccc3F)cc12 ZINC000339104211 427675877 /nfs/dbraw/zinc/67/58/77/427675877.db2.gz VJNYIBOMNATIRL-UHFFFAOYSA-N 1 2 323.375 2.920 20 30 DFEDLO COc1cncc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000343708838 272204858 /nfs/dbraw/zinc/20/48/58/272204858.db2.gz JUTCHZAXKNMOAU-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cncc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000343708838 272204860 /nfs/dbraw/zinc/20/48/60/272204860.db2.gz JUTCHZAXKNMOAU-GOSISDBHSA-N 1 2 309.369 2.535 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000287735056 427681520 /nfs/dbraw/zinc/68/15/20/427681520.db2.gz KWINGPKFDFRKIG-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1CO ZINC000287735056 427681525 /nfs/dbraw/zinc/68/15/25/427681525.db2.gz KWINGPKFDFRKIG-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272247792 427683156 /nfs/dbraw/zinc/68/31/56/427683156.db2.gz HUXPKHBLNNGVQN-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc2n1CCCCC2 ZINC000272292885 427698042 /nfs/dbraw/zinc/69/80/42/427698042.db2.gz OKIBJDQTQJFFDS-UHFFFAOYSA-N 1 2 300.406 2.828 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc2n1CCCCC2 ZINC000272292885 427698048 /nfs/dbraw/zinc/69/80/48/427698048.db2.gz OKIBJDQTQJFFDS-UHFFFAOYSA-N 1 2 300.406 2.828 20 30 DFEDLO C=CCOCCN1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000339154655 427706282 /nfs/dbraw/zinc/70/62/82/427706282.db2.gz AKRWWKMDEUHZHB-KRWDZBQOSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOCCN1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000339154655 427706288 /nfs/dbraw/zinc/70/62/88/427706288.db2.gz AKRWWKMDEUHZHB-KRWDZBQOSA-N 1 2 318.461 2.794 20 30 DFEDLO C[C@H](c1ccccn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000194155865 427734219 /nfs/dbraw/zinc/73/42/19/427734219.db2.gz VKHXLSAJCOFLDS-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO N#Cc1nc(Oc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000302712843 427857249 /nfs/dbraw/zinc/85/72/49/427857249.db2.gz IMCQVJCOPNRMPL-UHFFFAOYSA-N 1 2 307.269 2.839 20 30 DFEDLO C[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337134545 427803811 /nfs/dbraw/zinc/80/38/11/427803811.db2.gz NBIPDHOPGNDEFL-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337134545 427803814 /nfs/dbraw/zinc/80/38/14/427803814.db2.gz NBIPDHOPGNDEFL-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO N#Cc1nc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000302721226 427858072 /nfs/dbraw/zinc/85/80/72/427858072.db2.gz LJEMWNIILLRSIS-UHFFFAOYSA-N 1 2 310.317 2.600 20 30 DFEDLO Cc1cc(NCC(=O)N2CCc3ccccc32)c(C#N)c(C)[nH+]1 ZINC000301757427 427821775 /nfs/dbraw/zinc/82/17/75/427821775.db2.gz DZTFYPUGFJHFGE-UHFFFAOYSA-N 1 2 306.369 2.571 20 30 DFEDLO CCNC(=O)c1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301764221 427822733 /nfs/dbraw/zinc/82/27/33/427822733.db2.gz GSKBNYHAWZKQSD-UHFFFAOYSA-N 1 2 308.385 2.932 20 30 DFEDLO Cc1cc(N2CC[C@@H](OCc3ccncc3)C2)c(C#N)c(C)[nH+]1 ZINC000301780017 427823244 /nfs/dbraw/zinc/82/32/44/427823244.db2.gz IGNSCHMPEFAEHJ-MRXNPFEDSA-N 1 2 308.385 2.761 20 30 DFEDLO Cc1cc(N2CCC(OC[C@H]3CCCO3)CC2)c(C#N)c(C)[nH+]1 ZINC000301789272 427824514 /nfs/dbraw/zinc/82/45/14/427824514.db2.gz QASNSDINURCLCI-MRXNPFEDSA-N 1 2 315.417 2.735 20 30 DFEDLO Cc1cc(NCCN2C(=S)N=NC2C(C)C)c(C#N)c(C)[nH+]1 ZINC000301788510 427824574 /nfs/dbraw/zinc/82/45/74/427824574.db2.gz PVHYUDMMFHCJBX-UHFFFAOYSA-N 1 2 316.434 2.686 20 30 DFEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000339764613 427825093 /nfs/dbraw/zinc/82/50/93/427825093.db2.gz VWERYYGFTJJLAD-CQSZACIVSA-N 1 2 310.319 2.766 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000339764613 427825096 /nfs/dbraw/zinc/82/50/96/427825096.db2.gz VWERYYGFTJJLAD-CQSZACIVSA-N 1 2 310.319 2.766 20 30 DFEDLO CCOC(=O)CC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301800881 427825109 /nfs/dbraw/zinc/82/51/09/427825109.db2.gz VXRJREYTUUVRKA-UHFFFAOYSA-N 1 2 301.390 2.740 20 30 DFEDLO Cc1cc(Nc2ccc(CC(=O)N(C)C)cc2)c(C#N)c(C)[nH+]1 ZINC000301796131 427825119 /nfs/dbraw/zinc/82/51/19/427825119.db2.gz SYGCGNGPQVPFKS-UHFFFAOYSA-N 1 2 308.385 2.944 20 30 DFEDLO CCC(CC)(CNc1cc(C)[nH+]c(C)c1C#N)S(C)(=O)=O ZINC000301798497 427825445 /nfs/dbraw/zinc/82/54/45/427825445.db2.gz UWIMFWKCJXFEFB-UHFFFAOYSA-N 1 2 309.435 2.585 20 30 DFEDLO Cc1cc(NCC[S@@](=O)Cc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301811759 427825791 /nfs/dbraw/zinc/82/57/91/427825791.db2.gz ZRBBLOUQVKXHHX-JOCHJYFZSA-N 1 2 313.426 2.931 20 30 DFEDLO CN(C)c1ccc(CN(C)c2ccc(Cl)c(C#N)n2)c[nH+]1 ZINC000301812321 427826254 /nfs/dbraw/zinc/82/62/54/427826254.db2.gz BUJKLTSGHXIRHR-UHFFFAOYSA-N 1 2 301.781 2.704 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(c3c(C#N)cccc3C#N)CC2)s1 ZINC000302873941 427882728 /nfs/dbraw/zinc/88/27/28/427882728.db2.gz DPEVNYLANDXTPP-UHFFFAOYSA-N 1 2 323.425 2.517 20 30 DFEDLO N#Cc1cccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355770862 427884552 /nfs/dbraw/zinc/88/45/52/427884552.db2.gz LGLZYONDNAPKFV-UHFFFAOYSA-N 1 2 301.309 2.847 20 30 DFEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000304034848 427914225 /nfs/dbraw/zinc/91/42/25/427914225.db2.gz HGWZVXZHTOPBJG-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000304034848 427914231 /nfs/dbraw/zinc/91/42/31/427914231.db2.gz HGWZVXZHTOPBJG-SFHVURJKSA-N 1 2 314.360 2.871 20 30 DFEDLO Cc1nc(N(C)CCOCc2ccc(C#N)cc2)c(C)c(C)[nH+]1 ZINC000341032663 427972756 /nfs/dbraw/zinc/97/27/56/427972756.db2.gz HIKQOBPJOLDVAN-UHFFFAOYSA-N 1 2 310.401 2.927 20 30 DFEDLO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000350810006 427974002 /nfs/dbraw/zinc/97/40/02/427974002.db2.gz GHJXLPGUHXRZBY-UHFFFAOYSA-N 1 2 317.190 2.533 20 30 DFEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000359729508 427992171 /nfs/dbraw/zinc/99/21/71/427992171.db2.gz NYQQHIJFJHVWPK-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000359729508 427992177 /nfs/dbraw/zinc/99/21/77/427992177.db2.gz NYQQHIJFJHVWPK-CQSZACIVSA-N 1 2 305.809 2.927 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000345848259 427929409 /nfs/dbraw/zinc/92/94/09/427929409.db2.gz ACKBYNSFLMJNNN-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000345848259 427929413 /nfs/dbraw/zinc/92/94/13/427929413.db2.gz ACKBYNSFLMJNNN-CYBMUJFWSA-N 1 2 302.271 2.587 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369542671 427995052 /nfs/dbraw/zinc/99/50/52/427995052.db2.gz WNJQRGARDWVPRD-MSOLQXFVSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCCOC2)O1 ZINC000369542671 427995057 /nfs/dbraw/zinc/99/50/57/427995057.db2.gz WNJQRGARDWVPRD-MSOLQXFVSA-N 1 2 318.392 2.857 20 30 DFEDLO COC(=O)[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1 ZINC000341259254 428031619 /nfs/dbraw/zinc/03/16/19/428031619.db2.gz QFYYHHKKYUJQPW-CQSZACIVSA-N 1 2 308.328 2.940 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(NCCc3cn(C)c[nH+]3)c2c1 ZINC000413377116 428033780 /nfs/dbraw/zinc/03/37/80/428033780.db2.gz CTHFVFLUONWJJT-UHFFFAOYSA-N 1 2 305.385 2.533 20 30 DFEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)n1 ZINC000341461032 428072304 /nfs/dbraw/zinc/07/23/04/428072304.db2.gz GMZNWQTYDGEGFM-OAHLLOKOSA-N 1 2 322.347 2.731 20 30 DFEDLO COCc1nc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)no1 ZINC000356237497 428082993 /nfs/dbraw/zinc/08/29/93/428082993.db2.gz XELSCBNNXUCGMO-UHFFFAOYSA-N 1 2 314.389 2.746 20 30 DFEDLO COCc1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)no1 ZINC000356237497 428082996 /nfs/dbraw/zinc/08/29/96/428082996.db2.gz XELSCBNNXUCGMO-UHFFFAOYSA-N 1 2 314.389 2.746 20 30 DFEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000377309434 428104925 /nfs/dbraw/zinc/10/49/25/428104925.db2.gz RCWMMEZQBHHHJK-ZDUSSCGKSA-N 1 2 320.400 2.730 20 30 DFEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000377309434 428104929 /nfs/dbraw/zinc/10/49/29/428104929.db2.gz RCWMMEZQBHHHJK-ZDUSSCGKSA-N 1 2 320.400 2.730 20 30 DFEDLO C[N@H+](Cc1ccoc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976819 428122781 /nfs/dbraw/zinc/12/27/81/428122781.db2.gz CFICWLPUHQDYDT-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO C[N@@H+](Cc1ccoc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976819 428122785 /nfs/dbraw/zinc/12/27/85/428122785.db2.gz CFICWLPUHQDYDT-KRWDZBQOSA-N 1 2 309.369 2.779 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)s2)C(N)=O)cc1 ZINC000360063172 428139798 /nfs/dbraw/zinc/13/97/98/428139798.db2.gz ZYXBCZQWRHXUPA-CYBMUJFWSA-N 1 2 305.790 2.589 20 30 DFEDLO N#Cc1cc(NCc2cn3c([nH+]2)CCCC3)nc2ccccc12 ZINC000346403428 428157786 /nfs/dbraw/zinc/15/77/86/428157786.db2.gz HKDCLZRCRWKMQP-UHFFFAOYSA-N 1 2 303.369 3.251 20 30 DFEDLO C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C#N)c1 ZINC000360158097 428184773 /nfs/dbraw/zinc/18/47/73/428184773.db2.gz XGEKSJPWLTWWOA-AWEZNQCLSA-N 1 2 308.385 2.722 20 30 DFEDLO C=CC[N@@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000356403335 428164071 /nfs/dbraw/zinc/16/40/71/428164071.db2.gz AQYDYJUIERKVOC-UHFFFAOYSA-N 1 2 307.195 2.648 20 30 DFEDLO C=CC[N@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000356403335 428164075 /nfs/dbraw/zinc/16/40/75/428164075.db2.gz AQYDYJUIERKVOC-UHFFFAOYSA-N 1 2 307.195 2.648 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000370472822 428217795 /nfs/dbraw/zinc/21/77/95/428217795.db2.gz WYIHCCRJXYJPEY-CYBMUJFWSA-N 1 2 303.431 2.620 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000370472822 428217802 /nfs/dbraw/zinc/21/78/02/428217802.db2.gz WYIHCCRJXYJPEY-CYBMUJFWSA-N 1 2 303.431 2.620 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000414147332 428220609 /nfs/dbraw/zinc/22/06/09/428220609.db2.gz RHJXGHSXVXVMCW-LBPRGKRZSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000414147332 428220613 /nfs/dbraw/zinc/22/06/13/428220613.db2.gz RHJXGHSXVXVMCW-LBPRGKRZSA-N 1 2 303.189 2.579 20 30 DFEDLO N#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000360198132 428199930 /nfs/dbraw/zinc/19/99/30/428199930.db2.gz JMPDHAAUBGWBHM-CYBMUJFWSA-N 1 2 321.371 2.739 20 30 DFEDLO N#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000360198132 428199935 /nfs/dbraw/zinc/19/99/35/428199935.db2.gz JMPDHAAUBGWBHM-CYBMUJFWSA-N 1 2 321.371 2.739 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000377705046 428201029 /nfs/dbraw/zinc/20/10/29/428201029.db2.gz RWVDOTMPMUHBJF-LBPRGKRZSA-N 1 2 319.405 2.596 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCOC(C)(C)C2)c(C#N)c1C ZINC000377705046 428201032 /nfs/dbraw/zinc/20/10/32/428201032.db2.gz RWVDOTMPMUHBJF-LBPRGKRZSA-N 1 2 319.405 2.596 20 30 DFEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352841926 428273883 /nfs/dbraw/zinc/27/38/83/428273883.db2.gz UJOHCQBBERGUAG-HNNXBMFYSA-N 1 2 304.463 2.803 20 30 DFEDLO CN(C(=O)c1ccc(C#N)o1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352783895 428247664 /nfs/dbraw/zinc/24/76/64/428247664.db2.gz OUTVNWYIBMONJS-OAHLLOKOSA-N 1 2 306.325 2.736 20 30 DFEDLO C[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C#N)c1 ZINC000360325252 428252784 /nfs/dbraw/zinc/25/27/84/428252784.db2.gz AEOAKSSCADMFGN-KSSFIOAISA-N 1 2 321.380 2.737 20 30 DFEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346830171 428336973 /nfs/dbraw/zinc/33/69/73/428336973.db2.gz PPRWDVHTLYPEEW-QGZVFWFLSA-N 1 2 318.380 2.723 20 30 DFEDLO C=CCn1cccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346878185 428356219 /nfs/dbraw/zinc/35/62/19/428356219.db2.gz LRXWBYWBCXHQLB-UKRRQHHQSA-N 1 2 314.389 2.650 20 30 DFEDLO C=CCn1cccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346878185 428356228 /nfs/dbraw/zinc/35/62/28/428356228.db2.gz LRXWBYWBCXHQLB-UKRRQHHQSA-N 1 2 314.389 2.650 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CCCCC[C@H]32)c(C#N)c1C ZINC000378254859 428348074 /nfs/dbraw/zinc/34/80/74/428348074.db2.gz TYEGLCCHBFPLAH-UKRRQHHQSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3CCCCC[C@H]32)c(C#N)c1C ZINC000378254859 428348079 /nfs/dbraw/zinc/34/80/79/428348079.db2.gz TYEGLCCHBFPLAH-UKRRQHHQSA-N 1 2 301.390 2.971 20 30 DFEDLO C#CCOc1ccccc1C[NH2+]Cc1nc(C)n2c1CCCC2 ZINC000371460884 428391348 /nfs/dbraw/zinc/39/13/48/428391348.db2.gz ZUFFOJJVXXAMES-UHFFFAOYSA-N 1 2 309.413 2.830 20 30 DFEDLO C=CCOc1ccc(CN2CCn3cc(C)[nH+]c3C2)cc1OC ZINC000371674500 428400879 /nfs/dbraw/zinc/40/08/79/428400879.db2.gz GVLPSBUXNXBRHS-UHFFFAOYSA-N 1 2 313.401 2.781 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360615110 428368570 /nfs/dbraw/zinc/36/85/70/428368570.db2.gz ASKIZLAXAUPZFD-HNNXBMFYSA-N 1 2 305.381 2.968 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360615110 428368573 /nfs/dbraw/zinc/36/85/73/428368573.db2.gz ASKIZLAXAUPZFD-HNNXBMFYSA-N 1 2 305.381 2.968 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342765866 428449009 /nfs/dbraw/zinc/44/90/09/428449009.db2.gz RAQVNMVLWLMHLI-IBGZPJMESA-N 1 2 320.392 2.853 20 30 DFEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342765866 428449012 /nfs/dbraw/zinc/44/90/12/428449012.db2.gz RAQVNMVLWLMHLI-IBGZPJMESA-N 1 2 320.392 2.853 20 30 DFEDLO COC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(C)o1 ZINC000342770745 428450995 /nfs/dbraw/zinc/45/09/95/428450995.db2.gz ZOMXEKGIZBDRKI-OAHLLOKOSA-N 1 2 310.357 2.585 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000342783111 428453181 /nfs/dbraw/zinc/45/31/81/428453181.db2.gz HPRBSCGXFWPUCB-HUUCEWRRSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000342783111 428453185 /nfs/dbraw/zinc/45/31/85/428453185.db2.gz HPRBSCGXFWPUCB-HUUCEWRRSA-N 1 2 304.438 2.842 20 30 DFEDLO COc1cc(NCc2cc(C#N)cs2)[nH+]cc1Br ZINC000342820110 428464815 /nfs/dbraw/zinc/46/48/15/428464815.db2.gz GQGDVVDAUPNSGW-UHFFFAOYSA-N 1 2 324.203 3.398 20 30 DFEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1Cc1ccccc1 ZINC000342839060 428466987 /nfs/dbraw/zinc/46/69/87/428466987.db2.gz GJRGOGOOHWSOIL-QGZVFWFLSA-N 1 2 311.454 2.978 20 30 DFEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1Cc1ccccc1 ZINC000342839060 428466993 /nfs/dbraw/zinc/46/69/93/428466993.db2.gz GJRGOGOOHWSOIL-QGZVFWFLSA-N 1 2 311.454 2.978 20 30 DFEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1 ZINC000372124426 428416698 /nfs/dbraw/zinc/41/66/98/428416698.db2.gz NTLCFTHOTBIECE-LJQANCHMSA-N 1 2 317.429 2.715 20 30 DFEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1 ZINC000372124426 428416702 /nfs/dbraw/zinc/41/67/02/428416702.db2.gz NTLCFTHOTBIECE-LJQANCHMSA-N 1 2 317.429 2.715 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342969711 428496452 /nfs/dbraw/zinc/49/64/52/428496452.db2.gz HNURVCJMFFNISQ-OAHLLOKOSA-N 1 2 305.422 2.852 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000353371107 428505330 /nfs/dbraw/zinc/50/53/30/428505330.db2.gz QRGFAOWLPLGYOL-QGZVFWFLSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000353371107 428505335 /nfs/dbraw/zinc/50/53/35/428505335.db2.gz QRGFAOWLPLGYOL-QGZVFWFLSA-N 1 2 318.461 2.794 20 30 DFEDLO C=CCSCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343100574 428519608 /nfs/dbraw/zinc/51/96/08/428519608.db2.gz VVWAMLRNKHVEMU-HNNXBMFYSA-N 1 2 315.442 2.967 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000361110867 428538532 /nfs/dbraw/zinc/53/85/32/428538532.db2.gz RHVZNQILJSSDRX-AAEUAGOBSA-N 1 2 305.365 2.534 20 30 DFEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000343344271 428544622 /nfs/dbraw/zinc/54/46/22/428544622.db2.gz OSYPESWHKXUGQX-CQSZACIVSA-N 1 2 308.809 2.837 20 30 DFEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000343344271 428544628 /nfs/dbraw/zinc/54/46/28/428544628.db2.gz OSYPESWHKXUGQX-CQSZACIVSA-N 1 2 308.809 2.837 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347340705 428554058 /nfs/dbraw/zinc/55/40/58/428554058.db2.gz FSRLZVYQMGOPGE-ZUZCIYMTSA-N 1 2 309.772 2.973 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347340705 428554063 /nfs/dbraw/zinc/55/40/63/428554063.db2.gz FSRLZVYQMGOPGE-ZUZCIYMTSA-N 1 2 309.772 2.973 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCCCN1CCOC[C@H]1C#N ZINC000361323708 428557141 /nfs/dbraw/zinc/55/71/41/428557141.db2.gz IIUUQEVRXJHIFN-MRXNPFEDSA-N 1 2 312.417 2.739 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347351905 428561537 /nfs/dbraw/zinc/56/15/37/428561537.db2.gz NMIBNZUNISMQHI-HTUOJYHCSA-N 1 2 309.429 2.740 20 30 DFEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](C)(F)C1 ZINC000347351905 428561541 /nfs/dbraw/zinc/56/15/41/428561541.db2.gz NMIBNZUNISMQHI-HTUOJYHCSA-N 1 2 309.429 2.740 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000404691232 428571938 /nfs/dbraw/zinc/57/19/38/428571938.db2.gz SFJQQFOUFVHWEB-SECBINFHSA-N 1 2 319.361 2.791 20 30 DFEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000357985232 428574594 /nfs/dbraw/zinc/57/45/94/428574594.db2.gz WXOXGRSRBUMQEW-ZDUSSCGKSA-N 1 2 310.401 2.922 20 30 DFEDLO N#CCN1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000361578750 428579458 /nfs/dbraw/zinc/57/94/58/428579458.db2.gz PQTJWVIFRADIGP-UHFFFAOYSA-N 1 2 317.339 2.866 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000361940269 428605451 /nfs/dbraw/zinc/60/54/51/428605451.db2.gz AZZPZJMHCDMHOQ-CQSZACIVSA-N 1 2 320.458 2.872 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000361940269 428605456 /nfs/dbraw/zinc/60/54/56/428605456.db2.gz AZZPZJMHCDMHOQ-CQSZACIVSA-N 1 2 320.458 2.872 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000347732435 428623524 /nfs/dbraw/zinc/62/35/24/428623524.db2.gz ZOOUTWUYGYOYLO-MRXNPFEDSA-N 1 2 310.332 2.903 20 30 DFEDLO Cc1nnc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344112262 428624688 /nfs/dbraw/zinc/62/46/88/428624688.db2.gz LEJBRZHCPNXJTD-LBPRGKRZSA-N 1 2 316.430 2.928 20 30 DFEDLO Cc1nnc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344112262 428624692 /nfs/dbraw/zinc/62/46/92/428624692.db2.gz LEJBRZHCPNXJTD-LBPRGKRZSA-N 1 2 316.430 2.928 20 30 DFEDLO N#CCc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000347794086 428625289 /nfs/dbraw/zinc/62/52/89/428625289.db2.gz YLWCMIKXTRJNMT-UHFFFAOYSA-N 1 2 308.341 2.614 20 30 DFEDLO N#CCc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000347794086 428625291 /nfs/dbraw/zinc/62/52/91/428625291.db2.gz YLWCMIKXTRJNMT-UHFFFAOYSA-N 1 2 308.341 2.614 20 30 DFEDLO CC[NH+](CC)Cc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1 ZINC000347860325 428626889 /nfs/dbraw/zinc/62/68/89/428626889.db2.gz IZTXSYGCOOKHBV-MRXNPFEDSA-N 1 2 308.385 2.808 20 30 DFEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1 ZINC000347860325 428626898 /nfs/dbraw/zinc/62/68/98/428626898.db2.gz IZTXSYGCOOKHBV-MRXNPFEDSA-N 1 2 308.385 2.808 20 30 DFEDLO C=CC[N@@H+](Cc1c(C)cnn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000347846473 428627842 /nfs/dbraw/zinc/62/78/42/428627842.db2.gz NKLJDMDIYPJDDN-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO C=CC[N@H+](Cc1c(C)cnn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000347846473 428627844 /nfs/dbraw/zinc/62/78/44/428627844.db2.gz NKLJDMDIYPJDDN-UHFFFAOYSA-N 1 2 300.362 2.825 20 30 DFEDLO COc1cc(CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)ccc1C#N ZINC000353630677 428631837 /nfs/dbraw/zinc/63/18/37/428631837.db2.gz NGYJMUIVGGSCHD-KRWDZBQOSA-N 1 2 319.368 2.564 20 30 DFEDLO C#CC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000361779016 428596236 /nfs/dbraw/zinc/59/62/36/428596236.db2.gz FHZMYBHQCJEERT-IAGOWNOFSA-N 1 2 322.412 2.684 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373816628 428648293 /nfs/dbraw/zinc/64/82/93/428648293.db2.gz WKLZECKKALFARV-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373816628 428648302 /nfs/dbraw/zinc/64/83/02/428648302.db2.gz WKLZECKKALFARV-QAPCUYQASA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccc(C#N)cc1 ZINC000362234169 428669175 /nfs/dbraw/zinc/66/91/75/428669175.db2.gz DRNDKOIBXVSTLA-GFCCVEGCSA-N 1 2 305.341 2.854 20 30 DFEDLO Cc1ccccc1C1=CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000374613270 428712118 /nfs/dbraw/zinc/71/21/18/428712118.db2.gz ODQKMTCTCSAOMG-HXUWFJFHSA-N 1 2 323.440 2.893 20 30 DFEDLO Cc1ccccc1C1=CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000374613270 428712122 /nfs/dbraw/zinc/71/21/22/428712122.db2.gz ODQKMTCTCSAOMG-HXUWFJFHSA-N 1 2 323.440 2.893 20 30 DFEDLO C=CCOCC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000358912445 428726867 /nfs/dbraw/zinc/72/68/67/428726867.db2.gz WUTOLAWPGMALNX-AWEZNQCLSA-N 1 2 322.836 2.748 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)CCc3ccc(C#N)cc3)cn21 ZINC000344957770 428727427 /nfs/dbraw/zinc/72/74/27/428727427.db2.gz PMHAIIGOYJEYOJ-UHFFFAOYSA-N 1 2 318.380 2.763 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411189131 428756950 /nfs/dbraw/zinc/75/69/50/428756950.db2.gz MRVAORPWSVVNMK-AWEZNQCLSA-N 1 2 315.392 2.765 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411189131 428756957 /nfs/dbraw/zinc/75/69/57/428756957.db2.gz MRVAORPWSVVNMK-AWEZNQCLSA-N 1 2 315.392 2.765 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411197968 428757219 /nfs/dbraw/zinc/75/72/19/428757219.db2.gz XDPFUHGTHFUZQR-KGLIPLIRSA-N 1 2 319.405 2.886 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411197968 428757221 /nfs/dbraw/zinc/75/72/21/428757221.db2.gz XDPFUHGTHFUZQR-KGLIPLIRSA-N 1 2 319.405 2.886 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000348550820 428786507 /nfs/dbraw/zinc/78/65/07/428786507.db2.gz UAFCUCAPMDELCC-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000348550820 428786514 /nfs/dbraw/zinc/78/65/14/428786514.db2.gz UAFCUCAPMDELCC-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362436893 428743714 /nfs/dbraw/zinc/74/37/14/428743714.db2.gz HZVCAPVDKDALFL-MSOLQXFVSA-N 1 2 311.429 2.627 20 30 DFEDLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362436893 428743720 /nfs/dbraw/zinc/74/37/20/428743720.db2.gz HZVCAPVDKDALFL-MSOLQXFVSA-N 1 2 311.429 2.627 20 30 DFEDLO N#Cc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)s1 ZINC000374780745 428749874 /nfs/dbraw/zinc/74/98/74/428749874.db2.gz MQNPXWMTEKGPDG-UHFFFAOYSA-N 1 2 321.409 2.935 20 30 DFEDLO Cc1cccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000348573389 428794689 /nfs/dbraw/zinc/79/46/89/428794689.db2.gz FMSQBNDIKHGJKN-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000348573389 428794694 /nfs/dbraw/zinc/79/46/94/428794694.db2.gz FMSQBNDIKHGJKN-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO N#Cc1ccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000345245304 428812246 /nfs/dbraw/zinc/81/22/46/428812246.db2.gz DOVAGESWWANBGZ-INIZCTEOSA-N 1 2 319.836 2.508 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000362962508 428824312 /nfs/dbraw/zinc/82/43/12/428824312.db2.gz DUJOUFWSPOPGHI-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)CC(C)(C)C#N ZINC000354019539 428826346 /nfs/dbraw/zinc/82/63/46/428826346.db2.gz ZJMQNMUEPIOTEI-UHFFFAOYSA-N 1 2 312.316 2.998 20 30 DFEDLO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)CC(C)(C)C#N ZINC000354019539 428826350 /nfs/dbraw/zinc/82/63/50/428826350.db2.gz ZJMQNMUEPIOTEI-UHFFFAOYSA-N 1 2 312.316 2.998 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@H](c2noc(CC)n2)C1 ZINC000363443175 428916494 /nfs/dbraw/zinc/91/64/94/428916494.db2.gz CXSLSNONYJXWQV-JTQLQIEISA-N 1 2 300.200 2.720 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2noc(CC)n2)C1 ZINC000363443175 428916500 /nfs/dbraw/zinc/91/65/00/428916500.db2.gz CXSLSNONYJXWQV-JTQLQIEISA-N 1 2 300.200 2.720 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000349617898 429015897 /nfs/dbraw/zinc/01/58/97/429015897.db2.gz AVZBOOYUJFWBKU-UHFFFAOYSA-N 1 2 309.373 2.732 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000355034474 429025661 /nfs/dbraw/zinc/02/56/61/429025661.db2.gz HTHWEHSQVAHEJD-MSOLQXFVSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000355034474 429025663 /nfs/dbraw/zinc/02/56/63/429025663.db2.gz HTHWEHSQVAHEJD-MSOLQXFVSA-N 1 2 315.413 2.821 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1=O ZINC000451976518 429031518 /nfs/dbraw/zinc/03/15/18/429031518.db2.gz YKSLFUVZWJDVSF-JKSUJKDBSA-N 1 2 306.356 2.889 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1=O ZINC000451976518 429031523 /nfs/dbraw/zinc/03/15/23/429031523.db2.gz YKSLFUVZWJDVSF-JKSUJKDBSA-N 1 2 306.356 2.889 20 30 DFEDLO CN(C)c1[nH+]cccc1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000354573571 428999664 /nfs/dbraw/zinc/99/96/64/428999664.db2.gz RONFJIDSEWOOPU-MRXNPFEDSA-N 1 2 322.412 2.851 20 30 DFEDLO O[C@H]([C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887841 429007249 /nfs/dbraw/zinc/00/72/49/429007249.db2.gz KKVGJNYZNAZXRH-TZMCWYRMSA-N 1 2 317.738 2.937 20 30 DFEDLO O[C@H]([C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000451887841 429007254 /nfs/dbraw/zinc/00/72/54/429007254.db2.gz KKVGJNYZNAZXRH-TZMCWYRMSA-N 1 2 317.738 2.937 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000487298173 429147841 /nfs/dbraw/zinc/14/78/41/429147841.db2.gz AVJDYWCIKPLEDJ-ZDUSSCGKSA-N 1 2 307.825 2.742 20 30 DFEDLO N#Cc1ccc(N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000301504790 274923971 /nfs/dbraw/zinc/92/39/71/274923971.db2.gz IIHVHIJCNVXQCC-UHFFFAOYSA-N 1 2 318.384 2.546 20 30 DFEDLO CCc1nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)cc(C)[nH+]1 ZINC000376394665 429103980 /nfs/dbraw/zinc/10/39/80/429103980.db2.gz HQEGBAAWIMUFFB-MRXNPFEDSA-N 1 2 308.385 2.797 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000424201363 429109165 /nfs/dbraw/zinc/10/91/65/429109165.db2.gz OHDAQPVKMQYJAK-NSHDSACASA-N 1 2 315.398 2.961 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000424294286 429120992 /nfs/dbraw/zinc/12/09/92/429120992.db2.gz KFVLOSGYGLMXJU-LBPRGKRZSA-N 1 2 301.350 2.532 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000376548398 429133257 /nfs/dbraw/zinc/13/32/57/429133257.db2.gz XFWHABBFAKZDJA-HNNXBMFYSA-N 1 2 321.218 2.933 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000376548398 429133263 /nfs/dbraw/zinc/13/32/63/429133263.db2.gz XFWHABBFAKZDJA-HNNXBMFYSA-N 1 2 321.218 2.933 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000376548401 429133642 /nfs/dbraw/zinc/13/36/42/429133642.db2.gz XFWHABBFAKZDJA-OAHLLOKOSA-N 1 2 321.218 2.933 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000376548401 429133648 /nfs/dbraw/zinc/13/36/48/429133648.db2.gz XFWHABBFAKZDJA-OAHLLOKOSA-N 1 2 321.218 2.933 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000494655774 429137632 /nfs/dbraw/zinc/13/76/32/429137632.db2.gz MBYLJEANHJJNSG-MRXNPFEDSA-N 1 2 314.433 2.801 20 30 DFEDLO C=CC(C)(C)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000452777068 429137619 /nfs/dbraw/zinc/13/76/19/429137619.db2.gz UAMUKDBCXWSSBY-UHFFFAOYSA-N 1 2 324.428 3.339 20 30 DFEDLO C=C(C)C(C)(C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000424592280 429160850 /nfs/dbraw/zinc/16/08/50/429160850.db2.gz BMGQUWCVQQZWMG-UHFFFAOYSA-N 1 2 315.461 2.975 20 30 DFEDLO CC[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000487889344 429171342 /nfs/dbraw/zinc/17/13/42/429171342.db2.gz OWYOZVMYEOYJDD-CYBMUJFWSA-N 1 2 302.374 2.512 20 30 DFEDLO CC[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000487889344 429171345 /nfs/dbraw/zinc/17/13/45/429171345.db2.gz OWYOZVMYEOYJDD-CYBMUJFWSA-N 1 2 302.374 2.512 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000454923600 429175732 /nfs/dbraw/zinc/17/57/32/429175732.db2.gz HTSRWGYRMVVYAN-OAHLLOKOSA-N 1 2 320.437 2.636 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)ccc1C#N ZINC000488466769 429180017 /nfs/dbraw/zinc/18/00/17/429180017.db2.gz VIZGGEMACRNDHD-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO C=C(Cl)C[N@H+]1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495282661 429196249 /nfs/dbraw/zinc/19/62/49/429196249.db2.gz WJTKMMGEUGQYJJ-QWHCGFSZSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495282661 429196253 /nfs/dbraw/zinc/19/62/53/429196253.db2.gz WJTKMMGEUGQYJJ-QWHCGFSZSA-N 1 2 318.845 2.743 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000455525201 429190342 /nfs/dbraw/zinc/19/03/42/429190342.db2.gz QTKKJNOOOKNGOM-ZDUSSCGKSA-N 1 2 304.438 2.761 20 30 DFEDLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000455536919 429192292 /nfs/dbraw/zinc/19/22/92/429192292.db2.gz CGLFJFJZMMRKDJ-UHFFFAOYSA-N 1 2 308.385 2.912 20 30 DFEDLO CC(C)O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495423966 429207569 /nfs/dbraw/zinc/20/75/69/429207569.db2.gz FKRRUTWNBPVPPX-UHFFFAOYSA-N 1 2 307.394 2.757 20 30 DFEDLO C#C[C@H](C)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000274746814 275386614 /nfs/dbraw/zinc/38/66/14/275386614.db2.gz DRCFQURTAOMWHN-ZFWWWQNUSA-N 1 2 310.401 2.540 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(F)c1C#N)CCC2 ZINC000364468915 429209439 /nfs/dbraw/zinc/20/94/39/429209439.db2.gz SHJIHUNWXQUPLF-LBPRGKRZSA-N 1 2 312.348 2.510 20 30 DFEDLO CC(C)(C)Oc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1C#N ZINC000455779831 429211323 /nfs/dbraw/zinc/21/13/23/429211323.db2.gz WRRRCPRKDOGMFE-UHFFFAOYSA-N 1 2 313.361 2.780 20 30 DFEDLO C=CCn1cccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000489040015 429215364 /nfs/dbraw/zinc/21/53/64/429215364.db2.gz FQBCUBHWBYZMQA-HNNXBMFYSA-N 1 2 312.417 2.503 20 30 DFEDLO C[C@]([NH2+]Cc1ccc(C#N)cc1Cl)(C(N)=O)c1ccccc1 ZINC000439435903 429216944 /nfs/dbraw/zinc/21/69/44/429216944.db2.gz HMILBXHCDMHXAC-QGZVFWFLSA-N 1 2 313.788 2.702 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000424825400 429197436 /nfs/dbraw/zinc/19/74/36/429197436.db2.gz DLUYUPWDCFHOSY-GOSISDBHSA-N 1 2 324.465 2.511 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425138406 429238052 /nfs/dbraw/zinc/23/80/52/429238052.db2.gz AJSTYFHXIUBHRY-GDBMZVCRSA-N 1 2 310.401 2.940 20 30 DFEDLO Cc1cc(N2CCC(c3nnc4ccccn43)CC2)c(C#N)c[nH+]1 ZINC000425199976 429244140 /nfs/dbraw/zinc/24/41/40/429244140.db2.gz JHZUQVZJSAYSBP-UHFFFAOYSA-N 1 2 318.384 2.688 20 30 DFEDLO Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)c(C#N)cn1 ZINC000425203233 429244695 /nfs/dbraw/zinc/24/46/95/429244695.db2.gz DXVNQCJJKIHTMA-UHFFFAOYSA-N 1 2 307.401 2.681 20 30 DFEDLO Cc1cc(N2CCN(c3cccc(F)c3F)CC2)c(C#N)c[nH+]1 ZINC000425224452 429248375 /nfs/dbraw/zinc/24/83/75/429248375.db2.gz JSMYHDWXSWIFFH-UHFFFAOYSA-N 1 2 314.339 2.867 20 30 DFEDLO CC[C@@](CNc1cc(C)[nH+]cc1C#N)(C(=O)OC)c1ccccc1 ZINC000425270729 429255063 /nfs/dbraw/zinc/25/50/63/429255063.db2.gz UCUDDDYADIQXEY-IBGZPJMESA-N 1 2 323.396 2.617 20 30 DFEDLO N#CCCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)c2ccccc21 ZINC000444271081 429267042 /nfs/dbraw/zinc/26/70/42/429267042.db2.gz SVLAFFMFBDRMNY-UHFFFAOYSA-N 1 2 321.384 2.641 20 30 DFEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000444672737 429273849 /nfs/dbraw/zinc/27/38/49/429273849.db2.gz GKIVPZQIJGEKEM-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000444672737 429273851 /nfs/dbraw/zinc/27/38/51/429273851.db2.gz GKIVPZQIJGEKEM-UHFFFAOYSA-N 1 2 316.832 2.636 20 30 DFEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000444743701 429277692 /nfs/dbraw/zinc/27/76/92/429277692.db2.gz ZZFKLEFEEAJLQK-QGZVFWFLSA-N 1 2 305.397 2.620 20 30 DFEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000444743701 429277696 /nfs/dbraw/zinc/27/76/96/429277696.db2.gz ZZFKLEFEEAJLQK-QGZVFWFLSA-N 1 2 305.397 2.620 20 30 DFEDLO COc1nccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000449046525 429323824 /nfs/dbraw/zinc/32/38/24/429323824.db2.gz LLLJSYJEZRSTPQ-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000449046525 429323829 /nfs/dbraw/zinc/32/38/29/429323829.db2.gz LLLJSYJEZRSTPQ-IAGOWNOFSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000449046526 429324037 /nfs/dbraw/zinc/32/40/37/429324037.db2.gz LLLJSYJEZRSTPQ-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000449046526 429324040 /nfs/dbraw/zinc/32/40/40/429324040.db2.gz LLLJSYJEZRSTPQ-IRXDYDNUSA-N 1 2 308.385 2.757 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000491229146 429336811 /nfs/dbraw/zinc/33/68/11/429336811.db2.gz FFXAJUXXLFLCNT-IUODEOHRSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000491229146 429336816 /nfs/dbraw/zinc/33/68/16/429336816.db2.gz FFXAJUXXLFLCNT-IUODEOHRSA-N 1 2 301.434 2.802 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CC(C)(C)C#N)ccc2n1[C@@H](C)CO ZINC000456735518 429344796 /nfs/dbraw/zinc/34/47/96/429344796.db2.gz WLIAHBFBJXCTID-NSHDSACASA-N 1 2 314.389 2.776 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000456421600 429302526 /nfs/dbraw/zinc/30/25/26/429302526.db2.gz NMWKIKSIVIMEEB-WFASDCNBSA-N 1 2 306.369 2.609 20 30 DFEDLO C#CC[N@@H+](CC#CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000490915846 429313035 /nfs/dbraw/zinc/31/30/35/429313035.db2.gz QKLLZFGHTRBJBO-UHFFFAOYSA-N 1 2 316.408 2.922 20 30 DFEDLO C#CC[N@H+](CC#CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000490915846 429313039 /nfs/dbraw/zinc/31/30/39/429313039.db2.gz QKLLZFGHTRBJBO-UHFFFAOYSA-N 1 2 316.408 2.922 20 30 DFEDLO Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496940182 429317323 /nfs/dbraw/zinc/31/73/23/429317323.db2.gz DPFPVSMHNZLISW-UHFFFAOYSA-N 1 2 316.405 2.755 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491734119 429399328 /nfs/dbraw/zinc/39/93/28/429399328.db2.gz RRGBESUDCCWICA-GOEBONIOSA-N 1 2 308.385 2.734 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000365929784 429406103 /nfs/dbraw/zinc/40/61/03/429406103.db2.gz ASQHYFDMKXDMIM-UHFFFAOYSA-N 1 2 313.336 2.558 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000491783644 429408685 /nfs/dbraw/zinc/40/86/85/429408685.db2.gz RAOBYYCPPSHHBY-HIFRSBDPSA-N 1 2 305.447 2.548 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000491396015 429356700 /nfs/dbraw/zinc/35/67/00/429356700.db2.gz WFZONKOOFXXYQN-QGZVFWFLSA-N 1 2 324.428 2.731 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000491454585 429362594 /nfs/dbraw/zinc/36/25/94/429362594.db2.gz ZWWIZYXFMYKQJT-XJKSGUPXSA-N 1 2 313.788 2.590 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000491464835 429363219 /nfs/dbraw/zinc/36/32/19/429363219.db2.gz UESSWFZCMJDKCW-SNVBAGLBSA-N 1 2 312.207 2.920 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000491464835 429363225 /nfs/dbraw/zinc/36/32/25/429363225.db2.gz UESSWFZCMJDKCW-SNVBAGLBSA-N 1 2 312.207 2.920 20 30 DFEDLO CC1(C)CCCc2cc(C#N)c(N3CCn4c[nH+]cc4C3)nc21 ZINC000516693157 429382219 /nfs/dbraw/zinc/38/22/19/429382219.db2.gz CHZIHDDYFXFQRH-UHFFFAOYSA-N 1 2 307.401 2.784 20 30 DFEDLO CC(C)Oc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1C#N ZINC000517392348 429388625 /nfs/dbraw/zinc/38/86/25/429388625.db2.gz YIBKSTXLRNANBQ-UHFFFAOYSA-N 1 2 301.390 2.626 20 30 DFEDLO Cc1cc(N2CCN(C3CC3)[C@H](C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000366296306 429447829 /nfs/dbraw/zinc/44/78/29/429447829.db2.gz RQKMEECPWFMUQZ-OAHLLOKOSA-N 1 2 310.376 2.859 20 30 DFEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491814136 429414536 /nfs/dbraw/zinc/41/45/36/429414536.db2.gz IYIPDMORRQZFRH-BMIGLBTASA-N 1 2 319.767 2.872 20 30 DFEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491814136 429414540 /nfs/dbraw/zinc/41/45/40/429414540.db2.gz IYIPDMORRQZFRH-BMIGLBTASA-N 1 2 319.767 2.872 20 30 DFEDLO C#CCOc1cc(F)ccc1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492298462 429506214 /nfs/dbraw/zinc/50/62/14/429506214.db2.gz WKFZDWFIOFRHGZ-FPLPWBNLSA-N 1 2 313.332 2.706 20 30 DFEDLO CCc1nc(C)c(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000428396751 429518321 /nfs/dbraw/zinc/51/83/21/429518321.db2.gz GFAWZKLMJNSNGP-UHFFFAOYSA-N 1 2 310.401 2.739 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000492537987 429560005 /nfs/dbraw/zinc/56/00/05/429560005.db2.gz RSDGXKZEUMJMHT-NPQIQWPPSA-N 1 2 314.776 2.951 20 30 DFEDLO C=CCSc1ccccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457845966 429539027 /nfs/dbraw/zinc/53/90/27/429539027.db2.gz BERYGFUDTAZHQE-UHFFFAOYSA-N 1 2 301.415 2.671 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428677932 429543913 /nfs/dbraw/zinc/54/39/13/429543913.db2.gz GCGPOCBPQXWHBB-UHFFFAOYSA-N 1 2 308.385 2.930 20 30 DFEDLO N#CCCN(CC/C=C/c1ccccc1)CC[NH+]1CCOCC1 ZINC000450464392 429633101 /nfs/dbraw/zinc/63/31/01/429633101.db2.gz YMILBRRVCGDFNL-RUDMXATFSA-N 1 2 313.445 2.638 20 30 DFEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000450474306 429635535 /nfs/dbraw/zinc/63/55/35/429635535.db2.gz PXLJULSYSULSIP-VQIMIIECSA-N 1 2 309.413 2.962 20 30 DFEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000450474306 429635538 /nfs/dbraw/zinc/63/55/38/429635538.db2.gz PXLJULSYSULSIP-VQIMIIECSA-N 1 2 309.413 2.962 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(=O)OC)co1 ZINC000450302893 429594891 /nfs/dbraw/zinc/59/48/91/429594891.db2.gz YUBDVGBDYQEHTG-UHFFFAOYSA-N 1 2 300.358 2.692 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C(=O)OC)co1 ZINC000450302893 429594895 /nfs/dbraw/zinc/59/48/95/429594895.db2.gz YUBDVGBDYQEHTG-UHFFFAOYSA-N 1 2 300.358 2.692 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000450645733 429668385 /nfs/dbraw/zinc/66/83/85/429668385.db2.gz LTHCYJVRVUEQLK-IOASZLSFSA-N 1 2 303.431 2.503 20 30 DFEDLO CC1(C)C[C@]1(C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493017477 429669126 /nfs/dbraw/zinc/66/91/26/429669126.db2.gz NHYUBFVPLKEOLT-GNJLHFKMSA-N 1 2 306.369 2.694 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000450649766 429670247 /nfs/dbraw/zinc/67/02/47/429670247.db2.gz QGEXXSHIQWDXNW-BMFZPTHFSA-N 1 2 320.458 2.544 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)nc1 ZINC000367584455 429678314 /nfs/dbraw/zinc/67/83/14/429678314.db2.gz APGAYSSJNUIXFN-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)nc1 ZINC000367584455 429678319 /nfs/dbraw/zinc/67/83/19/429678319.db2.gz APGAYSSJNUIXFN-SFHVURJKSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000459609134 429700764 /nfs/dbraw/zinc/70/07/64/429700764.db2.gz ISSZAUKZARWZRG-UHFFFAOYSA-N 1 2 324.380 2.839 20 30 DFEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000482437580 429726002 /nfs/dbraw/zinc/72/60/02/429726002.db2.gz KMIVFENXABEKGT-SWLSCSKDSA-N 1 2 311.809 2.777 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)OC ZINC000482435362 429726099 /nfs/dbraw/zinc/72/60/99/429726099.db2.gz GOZOPSRRUQVMNG-KURKYZTESA-N 1 2 317.429 2.732 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1)C1CC1 ZINC000367866821 429733655 /nfs/dbraw/zinc/73/36/55/429733655.db2.gz VPEYIPKBFHXLDR-DOTOQJQBSA-N 1 2 317.458 2.939 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1)C1CC1 ZINC000367866821 429733658 /nfs/dbraw/zinc/73/36/58/429733658.db2.gz VPEYIPKBFHXLDR-DOTOQJQBSA-N 1 2 317.458 2.939 20 30 DFEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000451283712 429803591 /nfs/dbraw/zinc/80/35/91/429803591.db2.gz NYLSGMOKBYWQQD-UXHICEINSA-N 1 2 309.384 2.838 20 30 DFEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000451283712 429803592 /nfs/dbraw/zinc/80/35/92/429803592.db2.gz NYLSGMOKBYWQQD-UXHICEINSA-N 1 2 309.384 2.838 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccsc2Br)nn1 ZINC000527718714 429786116 /nfs/dbraw/zinc/78/61/16/429786116.db2.gz FSHWJBNQWWSSKM-UHFFFAOYSA-N 1 2 313.224 2.578 20 30 DFEDLO CC(C)n1nccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000368439183 429849871 /nfs/dbraw/zinc/84/98/71/429849871.db2.gz RRDGSRCBZDKCQK-GOSISDBHSA-N 1 2 310.401 2.909 20 30 DFEDLO CC(C)n1nccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000368439183 429849872 /nfs/dbraw/zinc/84/98/72/429849872.db2.gz RRDGSRCBZDKCQK-GOSISDBHSA-N 1 2 310.401 2.909 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc[nH+]c4ccncc43)C2)nc1 ZINC000368219683 429809907 /nfs/dbraw/zinc/80/99/07/429809907.db2.gz CXHNGUGQNVQVMU-CQSZACIVSA-N 1 2 317.352 2.554 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1Cl ZINC000368895818 429900903 /nfs/dbraw/zinc/90/09/03/429900903.db2.gz KPEWBQOXXMRRPM-GFCCVEGCSA-N 1 2 319.771 2.779 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1Cl ZINC000368895818 429900904 /nfs/dbraw/zinc/90/09/04/429900904.db2.gz KPEWBQOXXMRRPM-GFCCVEGCSA-N 1 2 319.771 2.779 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+][C@H](c2ccccn2)C2CCC2)C(N)=O)cc1 ZINC000528663396 429905336 /nfs/dbraw/zinc/90/53/36/429905336.db2.gz ZGJDZZCWCCFGTR-ROUUACIJSA-N 1 2 320.396 2.611 20 30 DFEDLO C=C(Br)C[N@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000369018934 429907680 /nfs/dbraw/zinc/90/76/80/429907680.db2.gz NGRMDNMQMGEKCV-GFCCVEGCSA-N 1 2 317.252 2.951 20 30 DFEDLO C=C(Br)C[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000369018934 429907681 /nfs/dbraw/zinc/90/76/81/429907681.db2.gz NGRMDNMQMGEKCV-GFCCVEGCSA-N 1 2 317.252 2.951 20 30 DFEDLO Fc1ccc(C#CC[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740132 429911729 /nfs/dbraw/zinc/91/17/29/429911729.db2.gz PGNYOMDMBIBRID-UHFFFAOYSA-N 1 2 307.372 2.903 20 30 DFEDLO Fc1ccc(C#CC[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740132 429911731 /nfs/dbraw/zinc/91/17/31/429911731.db2.gz PGNYOMDMBIBRID-UHFFFAOYSA-N 1 2 307.372 2.903 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000557027610 429926674 /nfs/dbraw/zinc/92/66/74/429926674.db2.gz PYYVTAARSLQZQD-CYBMUJFWSA-N 1 2 313.430 2.995 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000557027610 429926680 /nfs/dbraw/zinc/92/66/80/429926680.db2.gz PYYVTAARSLQZQD-CYBMUJFWSA-N 1 2 313.430 2.995 20 30 DFEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1OC ZINC000558246486 429965747 /nfs/dbraw/zinc/96/57/47/429965747.db2.gz PMDPNFOAKWCSKI-NSHDSACASA-N 1 2 315.348 2.960 20 30 DFEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000292070890 335087867 /nfs/dbraw/zinc/08/78/67/335087867.db2.gz DQDKRZANKBROAO-UKRRQHHQSA-N 1 2 324.346 2.570 20 30 DFEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1CC#Cc1ccccc1 ZINC000292070890 335087868 /nfs/dbraw/zinc/08/78/68/335087868.db2.gz DQDKRZANKBROAO-UKRRQHHQSA-N 1 2 324.346 2.570 20 30 DFEDLO CC(C)c1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000574500159 430047765 /nfs/dbraw/zinc/04/77/65/430047765.db2.gz QQVKCMHKFPGTSF-GOSISDBHSA-N 1 2 301.434 2.703 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000558874015 429992009 /nfs/dbraw/zinc/99/20/09/429992009.db2.gz SLWXODRJSMKGGE-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO CC(C)(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1c[nH]c[nH+]1 ZINC000561093115 430075668 /nfs/dbraw/zinc/07/56/68/430075668.db2.gz CTGZFOWEZLHEKI-OAHLLOKOSA-N 1 2 308.385 2.753 20 30 DFEDLO N#C[C@H](NC(=O)CCn1c2ccccc2[nH+]c1C1CC1)C1CC1 ZINC000536686969 430171759 /nfs/dbraw/zinc/17/17/59/430171759.db2.gz PHQSYBMSSCQLQK-HNNXBMFYSA-N 1 2 308.385 2.722 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000562735774 430174687 /nfs/dbraw/zinc/17/46/87/430174687.db2.gz SQCJGMVQXYUXCN-CVEARBPZSA-N 1 2 313.401 2.792 20 30 DFEDLO Cc1cc(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000577805255 430115753 /nfs/dbraw/zinc/11/57/53/430115753.db2.gz WXGXBNAWIHPRIW-MRXNPFEDSA-N 1 2 307.463 2.648 20 30 DFEDLO C=CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000530643728 430121587 /nfs/dbraw/zinc/12/15/87/430121587.db2.gz BUUAYAVMOXDSDB-OAHLLOKOSA-N 1 2 321.490 2.509 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000562383735 430126430 /nfs/dbraw/zinc/12/64/30/430126430.db2.gz XYVDFRHLZZQDTJ-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000562383735 430126436 /nfs/dbraw/zinc/12/64/36/430126436.db2.gz XYVDFRHLZZQDTJ-SFHVURJKSA-N 1 2 320.396 2.581 20 30 DFEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177024587 277006927 /nfs/dbraw/zinc/00/69/27/277006927.db2.gz XEPQTPNRFVQPCZ-HNNXBMFYSA-N 1 2 324.346 2.657 20 30 DFEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177024587 277006928 /nfs/dbraw/zinc/00/69/28/277006928.db2.gz XEPQTPNRFVQPCZ-HNNXBMFYSA-N 1 2 324.346 2.657 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccccc1CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000563397418 430187705 /nfs/dbraw/zinc/18/77/05/430187705.db2.gz HAAXNXJWODUAGV-WBVHZDCISA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccccc1CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000563397418 430187708 /nfs/dbraw/zinc/18/77/08/430187708.db2.gz HAAXNXJWODUAGV-WBVHZDCISA-N 1 2 315.417 2.581 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564633155 430197138 /nfs/dbraw/zinc/19/71/38/430197138.db2.gz XNUPXUIKUNASEC-GFCCVEGCSA-N 1 2 316.430 2.726 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000564633155 430197141 /nfs/dbraw/zinc/19/71/41/430197141.db2.gz XNUPXUIKUNASEC-GFCCVEGCSA-N 1 2 316.430 2.726 20 30 DFEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1ccccc1 ZINC000635173556 430222760 /nfs/dbraw/zinc/22/27/60/430222760.db2.gz BWECLKBYUGRUOB-CQSZACIVSA-N 1 2 321.302 2.545 20 30 DFEDLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565752137 430224923 /nfs/dbraw/zinc/22/49/23/430224923.db2.gz PTNIYXXXWHNGCN-AWEZNQCLSA-N 1 2 310.376 2.976 20 30 DFEDLO CSc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566858978 430274889 /nfs/dbraw/zinc/27/48/89/430274889.db2.gz LHQJWYOIYIUXPW-KRWDZBQOSA-N 1 2 319.474 2.691 20 30 DFEDLO CC(C)(C#N)CC[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000567008370 430276261 /nfs/dbraw/zinc/27/62/61/430276261.db2.gz RGVLOAOXYPDCGA-FQEVSTJZSA-N 1 2 307.341 2.634 20 30 DFEDLO C=CCCCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000567178198 430280290 /nfs/dbraw/zinc/28/02/90/430280290.db2.gz ZYDPXKPUUINZDY-UHFFFAOYSA-N 1 2 305.422 2.853 20 30 DFEDLO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2[nH+]ccn21 ZINC000568474478 430360610 /nfs/dbraw/zinc/36/06/10/430360610.db2.gz SWLYXODCLXUEGN-SCZZXKLOSA-N 1 2 307.279 3.286 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000583151526 430369115 /nfs/dbraw/zinc/36/91/15/430369115.db2.gz ABAJEORDTDPZIY-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000583151526 430369120 /nfs/dbraw/zinc/36/91/20/430369120.db2.gz ABAJEORDTDPZIY-HNNXBMFYSA-N 1 2 322.412 2.605 20 30 DFEDLO C=CCC[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000641388800 430393563 /nfs/dbraw/zinc/39/35/63/430393563.db2.gz XDIVCFKUCXBSTP-INIZCTEOSA-N 1 2 319.430 2.510 20 30 DFEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000583607538 430409987 /nfs/dbraw/zinc/40/99/87/430409987.db2.gz WURQHTXHUYGOQD-GWCFXTLKSA-N 1 2 311.345 2.591 20 30 DFEDLO CC(C)c1cccc(O[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000570098717 430512783 /nfs/dbraw/zinc/51/27/83/430512783.db2.gz VVFSUGROZFSBMY-KDOFPFPSSA-N 1 2 317.433 2.537 20 30 DFEDLO CC[C@H](C)c1ccccc1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570141918 430517090 /nfs/dbraw/zinc/51/70/90/430517090.db2.gz ONYMAWXBRXTJEO-KSSFIOAISA-N 1 2 317.433 2.539 20 30 DFEDLO Cc1cc(Nc2ccc(C#N)nn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000611540169 430569136 /nfs/dbraw/zinc/56/91/36/430569136.db2.gz PMBYJGXYILVGDE-ZDUSSCGKSA-N 1 2 308.389 3.174 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000639268561 430592904 /nfs/dbraw/zinc/59/29/04/430592904.db2.gz ZAKLTYVNSVDKJG-SFHVURJKSA-N 1 2 308.337 2.761 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000639268561 430592909 /nfs/dbraw/zinc/59/29/09/430592909.db2.gz ZAKLTYVNSVDKJG-SFHVURJKSA-N 1 2 308.337 2.761 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1C#N ZINC000571150898 430608167 /nfs/dbraw/zinc/60/81/67/430608167.db2.gz SSGHWWYVCDZSCV-INIZCTEOSA-N 1 2 316.401 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1C#N ZINC000571150898 430608172 /nfs/dbraw/zinc/60/81/72/430608172.db2.gz SSGHWWYVCDZSCV-INIZCTEOSA-N 1 2 316.401 2.592 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(C2CCC2)C1=O ZINC000639458499 430644415 /nfs/dbraw/zinc/64/44/15/430644415.db2.gz OZJSEBLCYIQLNR-KRWDZBQOSA-N 1 2 302.393 2.967 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(C2CCC2)C1=O ZINC000639458499 430644418 /nfs/dbraw/zinc/64/44/18/430644418.db2.gz OZJSEBLCYIQLNR-KRWDZBQOSA-N 1 2 302.393 2.967 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)cc1 ZINC000556800934 430692837 /nfs/dbraw/zinc/69/28/37/430692837.db2.gz ZDXIXFQLEWZEJT-UHFFFAOYSA-N 1 2 324.384 2.862 20 30 DFEDLO COc1cc(CNc2nc(C3CC3)[nH+]c(C)c2OC)ccc1C#N ZINC000572985534 430698944 /nfs/dbraw/zinc/69/89/44/430698944.db2.gz FVGOLHJPHNWTCX-UHFFFAOYSA-N 1 2 324.384 3.163 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651132076 430712601 /nfs/dbraw/zinc/71/26/01/430712601.db2.gz IETCSUBFWYDVPC-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO C=C(C)C[C@H](NC(C)=O)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000664768444 430742108 /nfs/dbraw/zinc/74/21/08/430742108.db2.gz CJYYUBBVQVGNQT-AWEZNQCLSA-N 1 2 300.362 2.507 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651329209 430765913 /nfs/dbraw/zinc/76/59/13/430765913.db2.gz SCQKFGKYXCWJRJ-MRXNPFEDSA-N 1 2 312.417 2.921 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000644879241 430856281 /nfs/dbraw/zinc/85/62/81/430856281.db2.gz JXAKOUSFEORAEF-HOTGVXAUSA-N 1 2 310.401 2.580 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000665666977 430996992 /nfs/dbraw/zinc/99/69/92/430996992.db2.gz GWSVGKGIQULXRC-IAGOWNOFSA-N 1 2 309.413 2.749 20 30 DFEDLO C=CCCOCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000665499196 430951475 /nfs/dbraw/zinc/95/14/75/430951475.db2.gz QDTVKMQIZQHGGV-UHFFFAOYSA-N 1 2 313.401 2.889 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226834 431034821 /nfs/dbraw/zinc/03/48/21/431034821.db2.gz SBDPYWQKRQMPGQ-IAGOWNOFSA-N 1 2 309.413 2.749 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662364165 431058470 /nfs/dbraw/zinc/05/84/70/431058470.db2.gz NQFZDQDETAISKA-XEZPLFJOSA-N 1 2 318.408 2.544 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662364165 431058475 /nfs/dbraw/zinc/05/84/75/431058475.db2.gz NQFZDQDETAISKA-XEZPLFJOSA-N 1 2 318.408 2.544 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665901400 431064883 /nfs/dbraw/zinc/06/48/83/431064883.db2.gz ZPYQHGBJDZOUOP-KRWDZBQOSA-N 1 2 324.428 2.904 20 30 DFEDLO C=C(C)COc1cc(C[N@H+](C)Cc2nc(C)no2)ccc1OC ZINC000656279803 431353532 /nfs/dbraw/zinc/35/35/32/431353532.db2.gz XZWMMQHEKZFLBU-UHFFFAOYSA-N 1 2 317.389 2.974 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2nc(C)no2)ccc1OC ZINC000656279803 431353540 /nfs/dbraw/zinc/35/35/40/431353540.db2.gz XZWMMQHEKZFLBU-UHFFFAOYSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000653598133 431453176 /nfs/dbraw/zinc/45/31/76/431453176.db2.gz NMEJZLCAOVIWOE-LBPRGKRZSA-N 1 2 304.369 2.853 20 30 DFEDLO C=CCCn1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)nn1 ZINC000653614802 431460633 /nfs/dbraw/zinc/46/06/33/431460633.db2.gz NUXWVPQMZUQMNQ-UHFFFAOYSA-N 1 2 303.435 2.788 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000660497664 431461267 /nfs/dbraw/zinc/46/12/67/431461267.db2.gz ZIMCPGCDAMQKNC-HDICACEKSA-N 1 2 311.429 2.895 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)nn1 ZINC000653635518 431467999 /nfs/dbraw/zinc/46/79/99/431467999.db2.gz RDDSGSOAJXSLBY-UHFFFAOYSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)nn1 ZINC000653635518 431468007 /nfs/dbraw/zinc/46/80/07/431468007.db2.gz RDDSGSOAJXSLBY-UHFFFAOYSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000666975838 431431148 /nfs/dbraw/zinc/43/11/48/431431148.db2.gz ZNNAPPKXDJTTHB-UHFFFAOYSA-N 1 2 300.362 2.581 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000660938975 431667997 /nfs/dbraw/zinc/66/79/97/431667997.db2.gz SPTXFPFUVWEZQC-CABCVRRESA-N 1 2 302.422 2.758 20 30 DFEDLO FC(F)(F)c1ccc(C#CCN2CCn3c[nH+]cc3C2)cc1 ZINC000647940748 431739562 /nfs/dbraw/zinc/73/95/62/431739562.db2.gz WQQMZBQQSFFORZ-UHFFFAOYSA-N 1 2 305.303 2.769 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661149502 431752834 /nfs/dbraw/zinc/75/28/34/431752834.db2.gz CKWWKSACLKYFKU-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661149502 431752839 /nfs/dbraw/zinc/75/28/39/431752839.db2.gz CKWWKSACLKYFKU-ZFWWWQNUSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000664254957 431716396 /nfs/dbraw/zinc/71/63/96/431716396.db2.gz HYUFZEUSFSTNBI-HZPDHXFCSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000664254957 431716402 /nfs/dbraw/zinc/71/64/02/431716402.db2.gz HYUFZEUSFSTNBI-HZPDHXFCSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@@H](C)COC ZINC000661240431 431789338 /nfs/dbraw/zinc/78/93/38/431789338.db2.gz OTINYHODFANDCJ-JTQLQIEISA-N 1 2 320.462 2.913 20 30 DFEDLO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@@H](C)COC ZINC000661240431 431789341 /nfs/dbraw/zinc/78/93/41/431789341.db2.gz OTINYHODFANDCJ-JTQLQIEISA-N 1 2 320.462 2.913 20 30 DFEDLO C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](c2ccccc2)C1 ZINC000052029107 290034401 /nfs/dbraw/zinc/03/44/01/290034401.db2.gz LVYJPOFBEBPVHM-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](c2ccccc2)C1 ZINC000052029107 290034402 /nfs/dbraw/zinc/03/44/02/290034402.db2.gz LVYJPOFBEBPVHM-OAHLLOKOSA-N 1 2 311.410 2.749 20 30 DFEDLO Cn1cc(C[N@@H+]2CC(=O)Nc3cccc4c3[C@@H]2CCC4)cc1C#N ZINC000368629741 294233272 /nfs/dbraw/zinc/23/32/72/294233272.db2.gz BKUYORANDIPEKS-KRWDZBQOSA-N 1 2 320.396 2.728 20 30 DFEDLO Cn1cc(C[N@H+]2CC(=O)Nc3cccc4c3[C@@H]2CCC4)cc1C#N ZINC000368629741 294233276 /nfs/dbraw/zinc/23/32/76/294233276.db2.gz BKUYORANDIPEKS-KRWDZBQOSA-N 1 2 320.396 2.728 20 30 DFEDLO Cc1cccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000437906929 297074149 /nfs/dbraw/zinc/07/41/49/297074149.db2.gz FHDWZQIKHUIEQX-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000437906929 297074150 /nfs/dbraw/zinc/07/41/50/297074150.db2.gz FHDWZQIKHUIEQX-UHFFFAOYSA-N 1 2 319.368 2.944 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000154893064 295308637 /nfs/dbraw/zinc/30/86/37/295308637.db2.gz BCYLFXAGEVIWIG-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccnc1 ZINC000154893064 295308638 /nfs/dbraw/zinc/30/86/38/295308638.db2.gz BCYLFXAGEVIWIG-UHFFFAOYSA-N 1 2 314.776 2.677 20 30 DFEDLO CC[N@H+](Cc1ccccn1)Cc1cccc(C(=O)OC)c1C#N ZINC000535205875 301250894 /nfs/dbraw/zinc/25/08/94/301250894.db2.gz JDSZCSZFNRUEDV-UHFFFAOYSA-N 1 2 309.369 2.762 20 30 DFEDLO CC[N@@H+](Cc1ccccn1)Cc1cccc(C(=O)OC)c1C#N ZINC000535205875 301250897 /nfs/dbraw/zinc/25/08/97/301250897.db2.gz JDSZCSZFNRUEDV-UHFFFAOYSA-N 1 2 309.369 2.762 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)c1C#N ZINC000535963565 301265396 /nfs/dbraw/zinc/26/53/96/301265396.db2.gz KTLNZAALTSFVIM-HNNXBMFYSA-N 1 2 316.401 2.592 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@@H]2CC(C)C)c1C#N ZINC000535963565 301265397 /nfs/dbraw/zinc/26/53/97/301265397.db2.gz KTLNZAALTSFVIM-HNNXBMFYSA-N 1 2 316.401 2.592 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000539785212 301348545 /nfs/dbraw/zinc/34/85/45/301348545.db2.gz ZWMZCSNRBOSYHK-UHFFFAOYSA-N 1 2 314.776 2.885 20 30 DFEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000548299357 301577538 /nfs/dbraw/zinc/57/75/38/301577538.db2.gz GSQVGFDQAANWOZ-UHFFFAOYSA-N 1 2 314.776 2.603 20 30 DFEDLO CC[C@H]1C[NH+](Cc2cccc(C(=O)OC)c2C#N)C[C@H](CC)O1 ZINC000562933676 302014381 /nfs/dbraw/zinc/01/43/81/302014381.db2.gz LKJAZSCAJAEZBS-GJZGRUSLSA-N 1 2 316.401 2.734 20 30 DFEDLO C[C@@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)n1cc[nH+]c1 ZINC000563216804 302051012 /nfs/dbraw/zinc/05/10/12/302051012.db2.gz JCHDVLFDBVDHNN-LBPRGKRZSA-N 1 2 309.373 2.618 20 30 DFEDLO Cn1nc(C2CC2)nc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564912505 302172894 /nfs/dbraw/zinc/17/28/94/302172894.db2.gz PJJHDFFXSCTWIJ-UHFFFAOYSA-N 1 2 319.412 2.853 20 30 DFEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000564912505 302172898 /nfs/dbraw/zinc/17/28/98/302172898.db2.gz PJJHDFFXSCTWIJ-UHFFFAOYSA-N 1 2 319.412 2.853 20 30 DFEDLO CC(C)[N@H+](Cc1nc(C2CC2)nn1C)Cc1ccc(C#N)cc1 ZINC000566155179 302264015 /nfs/dbraw/zinc/26/40/15/302264015.db2.gz AJCPOAPACSNXSJ-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO CC(C)[N@@H+](Cc1nc(C2CC2)nn1C)Cc1ccc(C#N)cc1 ZINC000566155179 302264017 /nfs/dbraw/zinc/26/40/17/302264017.db2.gz AJCPOAPACSNXSJ-UHFFFAOYSA-N 1 2 309.417 2.975 20 30 DFEDLO C[C@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000568000957 302408711 /nfs/dbraw/zinc/40/87/11/302408711.db2.gz GQNQLWVYTHIPFH-CXAGYDPISA-N 1 2 308.385 2.900 20 30 DFEDLO COc1cc(C#N)ccc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000569441003 302518172 /nfs/dbraw/zinc/51/81/72/302518172.db2.gz WEWZMTFGFPGDKX-GWCFXTLKSA-N 1 2 311.345 2.591 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569813367 302539526 /nfs/dbraw/zinc/53/95/26/302539526.db2.gz FMVFFYQBESMSEJ-CQSZACIVSA-N 1 2 323.400 2.778 20 30 DFEDLO N#Cc1cncnc1N[C@@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000571280717 302611676 /nfs/dbraw/zinc/61/16/76/302611676.db2.gz OZVHGIJXDTVQII-TZMCWYRMSA-N 1 2 318.384 2.785 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000574862808 318045377 /nfs/dbraw/zinc/04/53/77/318045377.db2.gz HIGWKYGJXOVGTA-DOMZBBRYSA-N 1 2 323.343 2.684 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000574862808 318045379 /nfs/dbraw/zinc/04/53/79/318045379.db2.gz HIGWKYGJXOVGTA-DOMZBBRYSA-N 1 2 323.343 2.684 20 30 DFEDLO N#Cc1cnn2cc(C[N@@H+]3CC4(CCC4)[C@H]3c3ccco3)cnc12 ZINC000580196226 318382792 /nfs/dbraw/zinc/38/27/92/318382792.db2.gz AYFMSJOHNUOAOD-MRXNPFEDSA-N 1 2 319.368 2.921 20 30 DFEDLO N#Cc1cnn2cc(C[N@H+]3CC4(CCC4)[C@H]3c3ccco3)cnc12 ZINC000580196226 318382795 /nfs/dbraw/zinc/38/27/95/318382795.db2.gz AYFMSJOHNUOAOD-MRXNPFEDSA-N 1 2 319.368 2.921 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000248979767 332891327 /nfs/dbraw/zinc/89/13/27/332891327.db2.gz VBKGHWHNNRNFGS-KBXCAEBGSA-N 1 2 317.433 2.525 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000558736016 331940187 /nfs/dbraw/zinc/94/01/87/331940187.db2.gz VGPPXDJNBQEDNF-OAHLLOKOSA-N 1 2 319.412 2.894 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000569499562 332108599 /nfs/dbraw/zinc/10/85/99/332108599.db2.gz DFIGMTWWXILWPF-IINYFYTJSA-N 1 2 309.772 2.866 20 30 DFEDLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093418595 332138537 /nfs/dbraw/zinc/13/85/37/332138537.db2.gz OGBCNPYGWYCWPG-LSDHHAIUSA-N 1 2 318.417 2.987 20 30 DFEDLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093418595 332138538 /nfs/dbraw/zinc/13/85/38/332138538.db2.gz OGBCNPYGWYCWPG-LSDHHAIUSA-N 1 2 318.417 2.987 20 30 DFEDLO C[C@@H](C#N)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368088423 332268335 /nfs/dbraw/zinc/26/83/35/332268335.db2.gz FKUFDRVJERGBTQ-DZGCQCFKSA-N 1 2 307.438 2.867 20 30 DFEDLO Cc1ccc(C(N)=[NH+]OCc2noc(C(C)(C)C)n2)cc1F ZINC000109062164 332276655 /nfs/dbraw/zinc/27/66/55/332276655.db2.gz OTTYILDRRNWQKW-UHFFFAOYSA-N 1 2 306.341 2.652 20 30 DFEDLO C=CCOc1cccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)c1 ZINC000195163694 335098608 /nfs/dbraw/zinc/09/86/08/335098608.db2.gz FYMWLSNWGUOYRB-UHFFFAOYSA-N 1 2 323.458 2.651 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccccc1F ZINC000109812254 332283805 /nfs/dbraw/zinc/28/38/05/332283805.db2.gz AYDMBAQVLYRZFK-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccccc1F ZINC000109812254 332283807 /nfs/dbraw/zinc/28/38/07/332283807.db2.gz AYDMBAQVLYRZFK-UHFFFAOYSA-N 1 2 305.397 2.704 20 30 DFEDLO COc1ccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000109813693 332284272 /nfs/dbraw/zinc/28/42/72/332284272.db2.gz SLJVVKZJSHRWMC-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO COc1ccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000109813693 332284273 /nfs/dbraw/zinc/28/42/73/332284273.db2.gz SLJVVKZJSHRWMC-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000119823659 332307545 /nfs/dbraw/zinc/30/75/45/332307545.db2.gz MDNOETNOGBUYPB-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000119823659 332307547 /nfs/dbraw/zinc/30/75/47/332307547.db2.gz MDNOETNOGBUYPB-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000184967690 335100660 /nfs/dbraw/zinc/10/06/60/335100660.db2.gz ZQZWGDSXYCBPHP-LSDHHAIUSA-N 1 2 322.474 2.840 20 30 DFEDLO COc1cc(F)c([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000114500750 332327871 /nfs/dbraw/zinc/32/78/71/332327871.db2.gz ZGWRYMZLRRGETG-RYUDHWBXSA-N 1 2 305.353 2.937 20 30 DFEDLO C[C@@H]1CN(CC2(C#N)CC2)C2(CCCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000560298890 332328500 /nfs/dbraw/zinc/32/85/00/332328500.db2.gz STZWDAHRPWTSGP-MRXNPFEDSA-N 1 2 312.461 2.913 20 30 DFEDLO C[C@@H]1CN(CC2(C#N)CC2)C2(CCCC2)C[N@H+]1CC1(C#N)CC1 ZINC000560298890 332328501 /nfs/dbraw/zinc/32/85/01/332328501.db2.gz STZWDAHRPWTSGP-MRXNPFEDSA-N 1 2 312.461 2.913 20 30 DFEDLO CCCn1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000566309996 332331569 /nfs/dbraw/zinc/33/15/69/332331569.db2.gz ZIUGQVMYIVDTPW-SFHVURJKSA-N 1 2 312.417 2.625 20 30 DFEDLO C[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000566328984 332346921 /nfs/dbraw/zinc/34/69/21/332346921.db2.gz UYBDZKGTNQGADD-CYBMUJFWSA-N 1 2 300.337 2.920 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000158327868 332566327 /nfs/dbraw/zinc/56/63/27/332566327.db2.gz JQMRBQIYAZXENO-MRXNPFEDSA-N 1 2 322.412 2.888 20 30 DFEDLO Cn1c(C[NH2+]C[C@@H](C#N)CCC#N)nc2cc(Cl)ccc21 ZINC000562330001 332577710 /nfs/dbraw/zinc/57/77/10/332577710.db2.gz BSQUCJOLSKBTDC-LLVKDONJSA-N 1 2 301.781 2.760 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000188450210 333046149 /nfs/dbraw/zinc/04/61/49/333046149.db2.gz FXDBJISCVRYXPJ-LBPRGKRZSA-N 1 2 323.183 2.650 20 30 DFEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC=CCC2)CC1=O ZINC000172378754 333062427 /nfs/dbraw/zinc/06/24/27/333062427.db2.gz YIYUMIWRMKZMDI-CYBMUJFWSA-N 1 2 322.412 2.755 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185200289 335119329 /nfs/dbraw/zinc/11/93/29/335119329.db2.gz BZPVMIMPBWFTBX-CHWSQXEVSA-N 1 2 320.437 2.607 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2)o1 ZINC000174219417 333083524 /nfs/dbraw/zinc/08/35/24/333083524.db2.gz RVRYQYVXAPHZNJ-GFCCVEGCSA-N 1 2 318.377 2.587 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2)o1 ZINC000174219408 333083532 /nfs/dbraw/zinc/08/35/32/333083532.db2.gz RVRYQYVXAPHZNJ-LBPRGKRZSA-N 1 2 318.377 2.587 20 30 DFEDLO Cc1c(O)ccc2c(C[N@H+](CCC#N)CC3CC3)cc(=O)oc12 ZINC000174693151 333089296 /nfs/dbraw/zinc/08/92/96/333089296.db2.gz CXQVVBICKCMVBX-UHFFFAOYSA-N 1 2 312.369 2.933 20 30 DFEDLO Cc1c(O)ccc2c(C[N@@H+](CCC#N)CC3CC3)cc(=O)oc12 ZINC000174693151 333089298 /nfs/dbraw/zinc/08/92/98/333089298.db2.gz CXQVVBICKCMVBX-UHFFFAOYSA-N 1 2 312.369 2.933 20 30 DFEDLO COc1cccc(C(N)=[NH+]OCc2csc([C@H](C)OC)n2)c1 ZINC000177612192 333130627 /nfs/dbraw/zinc/13/06/27/333130627.db2.gz ARULGPJVJNDZGX-JTQLQIEISA-N 1 2 321.402 2.696 20 30 DFEDLO CC#CCCCC(=O)N(CC)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000363818744 333178465 /nfs/dbraw/zinc/17/84/65/333178465.db2.gz LHJDPKHRIUODRF-GOSISDBHSA-N 1 2 324.428 2.947 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000363889598 333192493 /nfs/dbraw/zinc/19/24/93/333192493.db2.gz PVJPESPAHUSZFG-GJZGRUSLSA-N 1 2 320.437 2.707 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000294455485 335123115 /nfs/dbraw/zinc/12/31/15/335123115.db2.gz NMQOPNDAFNEBNV-CYBMUJFWSA-N 1 2 311.385 2.740 20 30 DFEDLO NC(=[NH+]OCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000189222557 333255952 /nfs/dbraw/zinc/25/59/52/333255952.db2.gz JMAKGOMNOVJRJW-GFCCVEGCSA-N 1 2 302.296 2.911 20 30 DFEDLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000353132034 333339018 /nfs/dbraw/zinc/33/90/18/333339018.db2.gz CJHPCNOZDADSSO-UHFFFAOYSA-N 1 2 304.390 2.753 20 30 DFEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000353132034 333339019 /nfs/dbraw/zinc/33/90/19/333339019.db2.gz CJHPCNOZDADSSO-UHFFFAOYSA-N 1 2 304.390 2.753 20 30 DFEDLO CCn1nc(C)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000295525646 335135421 /nfs/dbraw/zinc/13/54/21/335135421.db2.gz WDDNNPZBERARRF-UHFFFAOYSA-N 1 2 322.334 2.767 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(CC)[nH]2)cc1Cl ZINC000296011924 335139222 /nfs/dbraw/zinc/13/92/22/335139222.db2.gz LSALJGOAYYWWGG-UHFFFAOYSA-N 1 2 306.797 2.875 20 30 DFEDLO C=CCCc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000337610371 333455516 /nfs/dbraw/zinc/45/55/16/333455516.db2.gz UMTNPHKDDNHDLP-OAHLLOKOSA-N 1 2 317.433 2.647 20 30 DFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)C[C@H](COc2ccccc2)O1 ZINC000343345643 335145762 /nfs/dbraw/zinc/14/57/62/335145762.db2.gz QPXAXPRXRWNFER-MRXNPFEDSA-N 1 2 300.402 2.849 20 30 DFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@H](COc2ccccc2)O1 ZINC000343345643 335145763 /nfs/dbraw/zinc/14/57/63/335145763.db2.gz QPXAXPRXRWNFER-MRXNPFEDSA-N 1 2 300.402 2.849 20 30 DFEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000411125872 333636059 /nfs/dbraw/zinc/63/60/59/333636059.db2.gz LEIUWQHRTRQRKN-INIZCTEOSA-N 1 2 313.445 2.801 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442827522 335157445 /nfs/dbraw/zinc/15/74/45/335157445.db2.gz QBBRJNNMCKCCIR-ROUUACIJSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CCn1cccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343363642 335159643 /nfs/dbraw/zinc/15/96/43/335159643.db2.gz WFQYWWCJHZXVCN-UHFFFAOYSA-N 1 2 307.357 2.566 20 30 DFEDLO N#CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000270221412 334009287 /nfs/dbraw/zinc/00/92/87/334009287.db2.gz HSJKRRBJOUJHLJ-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)CCCCC1 ZINC000270310121 334010957 /nfs/dbraw/zinc/01/09/57/334010957.db2.gz PSEYZNYFOWECHV-UHFFFAOYSA-N 1 2 315.339 2.523 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)CCCCC1 ZINC000270310121 334010959 /nfs/dbraw/zinc/01/09/59/334010959.db2.gz PSEYZNYFOWECHV-UHFFFAOYSA-N 1 2 315.339 2.523 20 30 DFEDLO O=C1C[C@H](C/[NH+]=C/c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000270404375 334012884 /nfs/dbraw/zinc/01/28/84/334012884.db2.gz GFHLIZAENCAWFE-PZUDMAOCSA-N 1 2 324.380 2.565 20 30 DFEDLO C=CCc1cc(C[NH2+][C@H](C)c2csnn2)cc(OC)c1O ZINC000414548246 334015122 /nfs/dbraw/zinc/01/51/22/334015122.db2.gz JQPLYXONTCRPQF-SNVBAGLBSA-N 1 2 305.403 2.832 20 30 DFEDLO C[C@@H](C#N)CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000271127795 334019060 /nfs/dbraw/zinc/01/90/60/334019060.db2.gz MDCISCTWUSWGNS-JTQLQIEISA-N 1 2 307.195 2.688 20 30 DFEDLO COc1ccc(C[N@H+](C)Cc2ccon2)cc1OCCCC#N ZINC000271207769 334020066 /nfs/dbraw/zinc/02/00/66/334020066.db2.gz STWFBSUFMYBORM-UHFFFAOYSA-N 1 2 315.373 2.998 20 30 DFEDLO COc1ccc(C[N@@H+](C)Cc2ccon2)cc1OCCCC#N ZINC000271207769 334020067 /nfs/dbraw/zinc/02/00/67/334020067.db2.gz STWFBSUFMYBORM-UHFFFAOYSA-N 1 2 315.373 2.998 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C#N)CC1 ZINC000272580654 334037728 /nfs/dbraw/zinc/03/77/28/334037728.db2.gz OCXJUSVBOKWTDA-LBPRGKRZSA-N 1 2 316.361 2.547 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272618542 334038188 /nfs/dbraw/zinc/03/81/88/334038188.db2.gz UJLCWIBMKPBKAF-CYBMUJFWSA-N 1 2 313.401 2.842 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272993880 334041949 /nfs/dbraw/zinc/04/19/49/334041949.db2.gz GBYUHQNUUMCLOV-NWDGAFQWSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000272993880 334041950 /nfs/dbraw/zinc/04/19/50/334041950.db2.gz GBYUHQNUUMCLOV-NWDGAFQWSA-N 1 2 316.323 2.537 20 30 DFEDLO Cc1csc([C@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)n1 ZINC000273162611 334043872 /nfs/dbraw/zinc/04/38/72/334043872.db2.gz BWTKQOAEKLBCEH-JPEBENEDSA-N 1 2 305.403 2.575 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000274179629 334056335 /nfs/dbraw/zinc/05/63/35/334056335.db2.gz MBBDLPBHNORRBJ-ZDUSSCGKSA-N 1 2 303.431 2.647 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCCCC#N ZINC000277624934 334089469 /nfs/dbraw/zinc/08/94/69/334089469.db2.gz KKSRWBMESSAQLT-UHFFFAOYSA-N 1 2 305.426 2.561 20 30 DFEDLO C=CCc1cc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)cc(OC)c1O ZINC000343609905 335177131 /nfs/dbraw/zinc/17/71/31/335177131.db2.gz XOGASGFDDZXGOK-ZDUSSCGKSA-N 1 2 321.417 2.903 20 30 DFEDLO C=CCc1cc(C[N@H+](CC(=O)OC)[C@@H](C)CC)cc(OC)c1O ZINC000343609905 335177132 /nfs/dbraw/zinc/17/71/32/335177132.db2.gz XOGASGFDDZXGOK-ZDUSSCGKSA-N 1 2 321.417 2.903 20 30 DFEDLO N#CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000281858825 334129245 /nfs/dbraw/zinc/12/92/45/334129245.db2.gz AJQUSCVZALVNFU-UHFFFAOYSA-N 1 2 316.361 2.692 20 30 DFEDLO N#CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000281858825 334129247 /nfs/dbraw/zinc/12/92/47/334129247.db2.gz AJQUSCVZALVNFU-UHFFFAOYSA-N 1 2 316.361 2.692 20 30 DFEDLO N#CC1CCC(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000282077519 334131207 /nfs/dbraw/zinc/13/12/07/334131207.db2.gz XGYBJRRHLAXXHE-YMAMQOFZSA-N 1 2 315.421 2.629 20 30 DFEDLO NC(=[NH+]OCc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCCO1 ZINC000283764176 334141316 /nfs/dbraw/zinc/14/13/16/334141316.db2.gz BGSCOFHUHYTGBG-LBPRGKRZSA-N 1 2 323.299 2.588 20 30 DFEDLO COCCn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000367466800 334143444 /nfs/dbraw/zinc/14/34/44/334143444.db2.gz BJSJHRYPPUQREB-OALUTQOASA-N 1 2 324.428 2.801 20 30 DFEDLO COCCn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000367466800 334143445 /nfs/dbraw/zinc/14/34/45/334143445.db2.gz BJSJHRYPPUQREB-OALUTQOASA-N 1 2 324.428 2.801 20 30 DFEDLO NC(=[NH+]OCc1c(F)cccc1Br)[C@H]1CCCO1 ZINC000284462849 334143452 /nfs/dbraw/zinc/14/34/52/334143452.db2.gz QVMFSEVOKJUWDG-LLVKDONJSA-N 1 2 317.158 2.556 20 30 DFEDLO NC(=[NH+]OCc1c(F)cccc1Br)[C@@H]1CCCO1 ZINC000284462853 334143505 /nfs/dbraw/zinc/14/35/05/334143505.db2.gz QVMFSEVOKJUWDG-NSHDSACASA-N 1 2 317.158 2.556 20 30 DFEDLO NC(=[NH+]OCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000284456587 334143560 /nfs/dbraw/zinc/14/35/60/334143560.db2.gz QLBNXIDGRZCISL-LLVKDONJSA-N 1 2 304.268 2.553 20 30 DFEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H](C#N)CCC#N ZINC000285880914 334150484 /nfs/dbraw/zinc/15/04/84/334150484.db2.gz JNLZYEIDIJEKTQ-AWEZNQCLSA-N 1 2 309.373 2.654 20 30 DFEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@H](C#N)CCC#N ZINC000285880914 334150486 /nfs/dbraw/zinc/15/04/86/334150486.db2.gz JNLZYEIDIJEKTQ-AWEZNQCLSA-N 1 2 309.373 2.654 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)C2CC2)n1)C(C)(C)C ZINC000290277663 334172185 /nfs/dbraw/zinc/17/21/85/334172185.db2.gz YSQQGMARONQREH-CQSZACIVSA-N 1 2 305.447 2.796 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000292056994 334184121 /nfs/dbraw/zinc/18/41/21/334184121.db2.gz BICPMGZHGBHUON-LSDHHAIUSA-N 1 2 300.381 2.780 20 30 DFEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000292056994 334184122 /nfs/dbraw/zinc/18/41/22/334184122.db2.gz BICPMGZHGBHUON-LSDHHAIUSA-N 1 2 300.381 2.780 20 30 DFEDLO CC(C)(C)OC(=O)NCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292299673 334186448 /nfs/dbraw/zinc/18/64/48/334186448.db2.gz DBMBSTJNIKMRKR-CVEARBPZSA-N 1 2 315.417 2.750 20 30 DFEDLO CC(C)(C)OC(=O)NCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292299673 334186450 /nfs/dbraw/zinc/18/64/50/334186450.db2.gz DBMBSTJNIKMRKR-CVEARBPZSA-N 1 2 315.417 2.750 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000292847082 334193196 /nfs/dbraw/zinc/19/31/96/334193196.db2.gz SUCAWFHEXNOQOA-UHFFFAOYSA-N 1 2 316.401 2.757 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000292847082 334193197 /nfs/dbraw/zinc/19/31/97/334193197.db2.gz SUCAWFHEXNOQOA-UHFFFAOYSA-N 1 2 316.401 2.757 20 30 DFEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCOCCC#N)CC1 ZINC000292913192 334194159 /nfs/dbraw/zinc/19/41/59/334194159.db2.gz XHPNJOUEFHBVAA-OAHLLOKOSA-N 1 2 321.852 2.949 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005543 334195129 /nfs/dbraw/zinc/19/51/29/334195129.db2.gz HBRPEQLKHOUXHX-GOEBONIOSA-N 1 2 317.820 2.676 20 30 DFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000293005543 334195131 /nfs/dbraw/zinc/19/51/31/334195131.db2.gz HBRPEQLKHOUXHX-GOEBONIOSA-N 1 2 317.820 2.676 20 30 DFEDLO N#CCCN(CCC1CCCCCC1)CC[NH+]1CCOCC1 ZINC000340582782 334244493 /nfs/dbraw/zinc/24/44/93/334244493.db2.gz VOTABOXJYMELCF-UHFFFAOYSA-N 1 2 307.482 2.895 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000298525327 334249439 /nfs/dbraw/zinc/24/94/39/334249439.db2.gz CCGSORVHWQAPIZ-ZFWWWQNUSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC000298525327 334249440 /nfs/dbraw/zinc/24/94/40/334249440.db2.gz CCGSORVHWQAPIZ-ZFWWWQNUSA-N 1 2 311.389 2.726 20 30 DFEDLO N#CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCCC1 ZINC000304247262 334357030 /nfs/dbraw/zinc/35/70/30/334357030.db2.gz AHALQHZTOVWJAC-HNNXBMFYSA-N 1 2 308.809 2.848 20 30 DFEDLO N#CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCCC1 ZINC000304247262 334357031 /nfs/dbraw/zinc/35/70/31/334357031.db2.gz AHALQHZTOVWJAC-HNNXBMFYSA-N 1 2 308.809 2.848 20 30 DFEDLO COCCO[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000340783440 334385497 /nfs/dbraw/zinc/38/54/97/334385497.db2.gz WIYOXXNXWSIEQO-MRXNPFEDSA-N 1 2 307.821 2.819 20 30 DFEDLO COCCO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000340783440 334385498 /nfs/dbraw/zinc/38/54/98/334385498.db2.gz WIYOXXNXWSIEQO-MRXNPFEDSA-N 1 2 307.821 2.819 20 30 DFEDLO C=CCOc1cccnc1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000341355212 334440230 /nfs/dbraw/zinc/44/02/30/334440230.db2.gz IPTKEUNDHPJOKG-UHFFFAOYSA-N 1 2 322.368 2.533 20 30 DFEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000342006268 334500657 /nfs/dbraw/zinc/50/06/57/334500657.db2.gz CHYZGWLMIXSMCA-UHFFFAOYSA-N 1 2 321.808 2.531 20 30 DFEDLO Cn1nnc2cc(CNc3[nH+]cccc3OCCCC#N)ccc21 ZINC000341988791 334503421 /nfs/dbraw/zinc/50/34/21/334503421.db2.gz YJHUMGLIXZAGOV-UHFFFAOYSA-N 1 2 322.372 2.658 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000341989069 334503448 /nfs/dbraw/zinc/50/34/48/334503448.db2.gz KYCXDLJTBSMNPM-UHFFFAOYSA-N 1 2 303.337 2.719 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000342844069 334582063 /nfs/dbraw/zinc/58/20/63/334582063.db2.gz XNWXCMTXBJEXQG-UHFFFAOYSA-N 1 2 313.195 2.794 20 30 DFEDLO N#CCC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425303031 334722910 /nfs/dbraw/zinc/72/29/10/334722910.db2.gz ODQGXILLMWIEJL-HNNXBMFYSA-N 1 2 308.385 2.742 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425304879 334723050 /nfs/dbraw/zinc/72/30/50/334723050.db2.gz ADEHIONPKMGLRI-HNNXBMFYSA-N 1 2 310.401 2.940 20 30 DFEDLO O=C(N[C@@H]1CCCC12CCOCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328644152 334745443 /nfs/dbraw/zinc/74/54/43/334745443.db2.gz FUPDEQMORWEQGR-ZIAGYGMSSA-N 1 2 303.406 2.751 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1=O ZINC000328997073 334772163 /nfs/dbraw/zinc/77/21/63/334772163.db2.gz UREVCYJHDDEFQO-ZJUUUORDSA-N 1 2 317.311 2.907 20 30 DFEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1C ZINC000331354029 334858033 /nfs/dbraw/zinc/85/80/33/334858033.db2.gz PIODELSGFTVFCT-UBHSHLNASA-N 1 2 301.390 2.687 20 30 DFEDLO CCO[C@@H]1C[C@@]([NH2+]CCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000189874625 334914982 /nfs/dbraw/zinc/91/49/82/334914982.db2.gz XVNHRKCKLZMWQB-CXAGYDPISA-N 1 2 310.438 2.653 20 30 DFEDLO C=CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344507629 335257422 /nfs/dbraw/zinc/25/74/22/335257422.db2.gz ZGJQKWGSUAMNHF-MRXNPFEDSA-N 1 2 304.459 2.859 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)ccc1OC ZINC000344818989 335280797 /nfs/dbraw/zinc/28/07/97/335280797.db2.gz AROPKVWVSGZBQQ-HUUCEWRRSA-N 1 2 309.381 2.555 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CO)ccc1OC ZINC000344818989 335280798 /nfs/dbraw/zinc/28/07/98/335280798.db2.gz AROPKVWVSGZBQQ-HUUCEWRRSA-N 1 2 309.381 2.555 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C2 ZINC000366886978 335295906 /nfs/dbraw/zinc/29/59/06/335295906.db2.gz PSGYXAMHEZRJLM-IRXDYDNUSA-N 1 2 322.412 2.710 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2ncc(C)s2)C1=O ZINC000366906428 335339831 /nfs/dbraw/zinc/33/98/31/335339831.db2.gz YCZSBUSWRRLGDT-KGLIPLIRSA-N 1 2 305.447 2.765 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ncc(C)s2)C1=O ZINC000366906428 335339832 /nfs/dbraw/zinc/33/98/32/335339832.db2.gz YCZSBUSWRRLGDT-KGLIPLIRSA-N 1 2 305.447 2.765 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1Cl ZINC000345815882 335352881 /nfs/dbraw/zinc/35/28/81/335352881.db2.gz UTWONIDAUHQJHA-GFCCVEGCSA-N 1 2 305.809 2.723 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1Cl ZINC000345815882 335352883 /nfs/dbraw/zinc/35/28/83/335352883.db2.gz UTWONIDAUHQJHA-GFCCVEGCSA-N 1 2 305.809 2.723 20 30 DFEDLO N#CC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCC1 ZINC000346111530 335375609 /nfs/dbraw/zinc/37/56/09/335375609.db2.gz ACIDYZMSOZQUII-YWEYNIOJSA-N 1 2 309.413 2.538 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000347690956 335521651 /nfs/dbraw/zinc/52/16/51/335521651.db2.gz NFWWYJRMUAMXFX-QWRGUYRKSA-N 1 2 309.316 2.508 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000349232317 335655234 /nfs/dbraw/zinc/65/52/34/335655234.db2.gz BMQXLHHIDPCARG-CWVKQELPSA-N 1 2 318.421 2.645 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC(C)(C)O1)C1CCOCC1 ZINC000329050347 335935799 /nfs/dbraw/zinc/93/57/99/335935799.db2.gz KPXKCUSZUGSBCH-UONOGXRCSA-N 1 2 321.421 2.802 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1(C2CC2)CCOCC1 ZINC000329639477 336021399 /nfs/dbraw/zinc/02/13/99/336021399.db2.gz WQFUHNGWHLHOSC-UHFFFAOYSA-N 1 2 317.433 2.925 20 30 DFEDLO Cc1cc(Cl)cnc1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329645719 336026156 /nfs/dbraw/zinc/02/61/56/336026156.db2.gz ZOZRJNLGCYJGOP-LLVKDONJSA-N 1 2 305.769 2.581 20 30 DFEDLO Cc1cc(Cl)cnc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329645719 336026157 /nfs/dbraw/zinc/02/61/57/336026157.db2.gz ZOZRJNLGCYJGOP-LLVKDONJSA-N 1 2 305.769 2.581 20 30 DFEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000331240236 336066684 /nfs/dbraw/zinc/06/66/84/336066684.db2.gz OZQPDZAFPDQPRO-LBPRGKRZSA-N 1 2 306.410 2.636 20 30 DFEDLO N#CC1(c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000329742501 336076275 /nfs/dbraw/zinc/07/62/75/336076275.db2.gz WODUYCWOHBGVGD-ZIAGYGMSSA-N 1 2 316.405 2.721 20 30 DFEDLO N#CC1(c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCCCC1 ZINC000329742501 336076277 /nfs/dbraw/zinc/07/62/77/336076277.db2.gz WODUYCWOHBGVGD-ZIAGYGMSSA-N 1 2 316.405 2.721 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCc2ccccc2C1 ZINC000329750591 336077936 /nfs/dbraw/zinc/07/79/36/336077936.db2.gz VCJDMUODVPDZBX-OAHLLOKOSA-N 1 2 310.401 2.629 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCc2ccccc2C1 ZINC000329750591 336077938 /nfs/dbraw/zinc/07/79/38/336077938.db2.gz VCJDMUODVPDZBX-OAHLLOKOSA-N 1 2 310.401 2.629 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329760003 336078850 /nfs/dbraw/zinc/07/88/50/336078850.db2.gz PPFZZINLHSVUFH-ZDUSSCGKSA-N 1 2 308.451 2.789 20 30 DFEDLO O=C(C[C@H]1CCOC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000329772894 336080357 /nfs/dbraw/zinc/08/03/57/336080357.db2.gz HTKBKODQOBEEIC-OAHLLOKOSA-N 1 2 303.406 2.955 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCCC(=O)N1 ZINC000329864919 336090402 /nfs/dbraw/zinc/09/04/02/336090402.db2.gz SZMTUUDFUUXKDO-CYBMUJFWSA-N 1 2 304.394 2.618 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]1c1ccccc1 ZINC000329923205 336095785 /nfs/dbraw/zinc/09/57/85/336095785.db2.gz UIQIHOBSDYBOHL-HOCLYGCPSA-N 1 2 310.401 2.807 20 30 DFEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC23CCCC3)no1 ZINC000329939295 336097562 /nfs/dbraw/zinc/09/75/62/336097562.db2.gz AYGAHZSSXKCKPN-LLVKDONJSA-N 1 2 306.410 2.903 20 30 DFEDLO CCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329941660 336097711 /nfs/dbraw/zinc/09/77/11/336097711.db2.gz VDSRQJUHLXHGNX-ZNMIVQPWSA-N 1 2 319.453 2.581 20 30 DFEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]C1CCC2(CC2)CC1 ZINC000329959231 336099954 /nfs/dbraw/zinc/09/99/54/336099954.db2.gz QNBBPQFRAGFLIO-CYBMUJFWSA-N 1 2 302.422 2.672 20 30 DFEDLO Cc1cn2cc(NC(=O)N3C[C@@H](C4CC4)O[C@@H](C)C3)ccc2[nH+]1 ZINC000329965480 336100861 /nfs/dbraw/zinc/10/08/61/336100861.db2.gz VEBRIIJCZZUQIX-WFASDCNBSA-N 1 2 314.389 2.688 20 30 DFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC=CCC2)cn1 ZINC000329974833 336101857 /nfs/dbraw/zinc/10/18/57/336101857.db2.gz DFZRPZTWDPXBJH-PMPSAXMXSA-N 1 2 320.412 2.645 20 30 DFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC=CCC2)cn1 ZINC000329974833 336101859 /nfs/dbraw/zinc/10/18/59/336101859.db2.gz DFZRPZTWDPXBJH-PMPSAXMXSA-N 1 2 320.412 2.645 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ncc(C)o2)C1 ZINC000330026258 336107071 /nfs/dbraw/zinc/10/70/71/336107071.db2.gz LGVKIYVUHGONMM-GFCCVEGCSA-N 1 2 303.366 2.625 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330072577 336111160 /nfs/dbraw/zinc/11/11/60/336111160.db2.gz JSKXDSPCZBEESA-RKVPGOIHSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330072577 336111162 /nfs/dbraw/zinc/11/11/62/336111162.db2.gz JSKXDSPCZBEESA-RKVPGOIHSA-N 1 2 324.465 2.792 20 30 DFEDLO CSC1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330213775 336125040 /nfs/dbraw/zinc/12/50/40/336125040.db2.gz FQIPORFZWMPAIT-DGCLKSJQSA-N 1 2 309.435 2.882 20 30 DFEDLO Cc1ccc(NC(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)[nH+]1 ZINC000330231047 336127456 /nfs/dbraw/zinc/12/74/56/336127456.db2.gz QXVAVTZUOMJQCD-AWEZNQCLSA-N 1 2 319.405 2.753 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC2(C1)CCCC2 ZINC000330249182 336129631 /nfs/dbraw/zinc/12/96/31/336129631.db2.gz MMQUWHPRZHJSTI-UHFFFAOYSA-N 1 2 302.422 2.552 20 30 DFEDLO COCCC1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330319193 336153999 /nfs/dbraw/zinc/15/39/99/336153999.db2.gz DADAQDPHVCOUKP-HIFRSBDPSA-N 1 2 321.421 2.804 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)CCO1 ZINC000330325482 336158325 /nfs/dbraw/zinc/15/83/25/336158325.db2.gz JHHIBSWFXSPUGU-ABAIWWIYSA-N 1 2 316.361 2.510 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)COC2CCCC2)CCO1 ZINC000330337988 336168704 /nfs/dbraw/zinc/16/87/04/336168704.db2.gz USTQJDHNLOYDNJ-DOMZBBRYSA-N 1 2 307.394 2.556 20 30 DFEDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330339794 336168942 /nfs/dbraw/zinc/16/89/42/336168942.db2.gz XCWQUPYDSZYCCX-ZDUSSCGKSA-N 1 2 319.453 2.681 20 30 DFEDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)[nH]1 ZINC000330339794 336168944 /nfs/dbraw/zinc/16/89/44/336168944.db2.gz XCWQUPYDSZYCCX-ZDUSSCGKSA-N 1 2 319.453 2.681 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330341582 336172581 /nfs/dbraw/zinc/17/25/81/336172581.db2.gz ZKPJSYYWSLAQHZ-HLPPOEQASA-N 1 2 320.437 2.723 20 30 DFEDLO CC[C@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)C[C@]2(CCOC2)O1 ZINC000330361948 336181385 /nfs/dbraw/zinc/18/13/85/336181385.db2.gz YYIZBDOAUDOHEQ-YOEHRIQHSA-N 1 2 319.405 2.514 20 30 DFEDLO C=CC[C@@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000333309118 336201769 /nfs/dbraw/zinc/20/17/69/336201769.db2.gz NDWZSVWSVDYWHH-GJZGRUSLSA-N 1 2 316.449 2.974 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3C#N)C2=O)c1 ZINC000333679289 336208005 /nfs/dbraw/zinc/20/80/05/336208005.db2.gz ZNLACCJAEFYUNK-BMFZPTHFSA-N 1 2 315.392 2.911 20 30 DFEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c(C)c1 ZINC000352484532 336221447 /nfs/dbraw/zinc/22/14/47/336221447.db2.gz QPRBXRCLYVZRHW-CQSZACIVSA-N 1 2 303.381 2.958 20 30 DFEDLO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352491756 336221726 /nfs/dbraw/zinc/22/17/26/336221726.db2.gz SCIUVNFZTAAIJX-CQSZACIVSA-N 1 2 315.392 2.682 20 30 DFEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000352492063 336221866 /nfs/dbraw/zinc/22/18/66/336221866.db2.gz VGQRUFVSIBNTBS-CQSZACIVSA-N 1 2 321.783 2.773 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000352512677 336222417 /nfs/dbraw/zinc/22/24/17/336222417.db2.gz ZFTHIZVYALMMTP-INIZCTEOSA-N 1 2 310.482 2.842 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(CC)CC ZINC000352801321 336239312 /nfs/dbraw/zinc/23/93/12/336239312.db2.gz SIJVTEGXWSSHMH-CQSZACIVSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(CC)CC ZINC000352801321 336239313 /nfs/dbraw/zinc/23/93/13/336239313.db2.gz SIJVTEGXWSSHMH-CQSZACIVSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(C(C)C)C1=O ZINC000352802977 336239800 /nfs/dbraw/zinc/23/98/00/336239800.db2.gz NFDYJFSPPFLYKS-KRWDZBQOSA-N 1 2 320.433 2.549 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(C(C)C)C1=O ZINC000352802977 336239801 /nfs/dbraw/zinc/23/98/01/336239801.db2.gz NFDYJFSPPFLYKS-KRWDZBQOSA-N 1 2 320.433 2.549 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CCCC1 ZINC000352807978 336243318 /nfs/dbraw/zinc/24/33/18/336243318.db2.gz XQDQPIRBCLFYFJ-AWEZNQCLSA-N 1 2 320.433 2.597 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CCCC1 ZINC000352807978 336243319 /nfs/dbraw/zinc/24/33/19/336243319.db2.gz XQDQPIRBCLFYFJ-AWEZNQCLSA-N 1 2 320.433 2.597 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccc(CO)o1 ZINC000352813311 336246644 /nfs/dbraw/zinc/24/66/44/336246644.db2.gz CIDBHHWVNYOJJI-UHFFFAOYSA-N 1 2 316.401 2.978 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccc(CO)o1 ZINC000352813311 336246645 /nfs/dbraw/zinc/24/66/45/336246645.db2.gz CIDBHHWVNYOJJI-UHFFFAOYSA-N 1 2 316.401 2.978 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356002104 336531745 /nfs/dbraw/zinc/53/17/45/336531745.db2.gz CIRMOULFOXNCDN-UONOGXRCSA-N 1 2 319.449 2.593 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(CCC#N)CC1CC1 ZINC000356290934 336544483 /nfs/dbraw/zinc/54/44/83/336544483.db2.gz XLIZEGKSWFBQHA-UHFFFAOYSA-N 1 2 310.401 2.887 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cc1OC ZINC000356894388 336565306 /nfs/dbraw/zinc/56/53/06/336565306.db2.gz NMCCELLJDVFFBC-NSHDSACASA-N 1 2 303.362 2.802 20 30 DFEDLO C#Cc1cccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000362179346 336786960 /nfs/dbraw/zinc/78/69/60/336786960.db2.gz KXQGYSHOQGUXBL-HNNXBMFYSA-N 1 2 308.385 2.872 20 30 DFEDLO C=CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000362329837 336792582 /nfs/dbraw/zinc/79/25/82/336792582.db2.gz JLYZVRJTADCMEG-UHFFFAOYSA-N 1 2 318.808 2.934 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369645326 336868895 /nfs/dbraw/zinc/86/88/95/336868895.db2.gz CFTUUHDRYPDNTD-GJZGRUSLSA-N 1 2 304.438 2.832 20 30 DFEDLO C#CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000372758838 336938793 /nfs/dbraw/zinc/93/87/93/336938793.db2.gz CNKUFAYAQATVNH-QGTPRVQTSA-N 1 2 322.412 2.823 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000373578195 336965873 /nfs/dbraw/zinc/96/58/73/336965873.db2.gz QLFXWEXBPRDGGT-DLBZAZTESA-N 1 2 322.412 2.824 20 30 DFEDLO C=CCOc1cccc(NC(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000376899739 337043489 /nfs/dbraw/zinc/04/34/89/337043489.db2.gz VMEPWTMSDFTNGN-UHFFFAOYSA-N 1 2 312.373 2.575 20 30 DFEDLO C#CCCCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000377133696 337047387 /nfs/dbraw/zinc/04/73/87/337047387.db2.gz XSILEPHBVFZDRY-INIZCTEOSA-N 1 2 304.821 2.959 20 30 DFEDLO C#CCCCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000377133696 337047388 /nfs/dbraw/zinc/04/73/88/337047388.db2.gz XSILEPHBVFZDRY-INIZCTEOSA-N 1 2 304.821 2.959 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000377149023 337047678 /nfs/dbraw/zinc/04/76/78/337047678.db2.gz JQORPTWTFLHBEO-UHFFFAOYSA-N 1 2 305.447 2.552 20 30 DFEDLO CC(C)(CCC#N)CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000377149023 337047679 /nfs/dbraw/zinc/04/76/79/337047679.db2.gz JQORPTWTFLHBEO-UHFFFAOYSA-N 1 2 305.447 2.552 20 30 DFEDLO C=CCN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000377463547 337053032 /nfs/dbraw/zinc/05/30/32/337053032.db2.gz JUJKGXLXYXIIAC-UHFFFAOYSA-N 1 2 302.353 2.729 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)CCC2 ZINC000378252998 337068775 /nfs/dbraw/zinc/06/87/75/337068775.db2.gz PUECGOXVKMTLJB-HNNXBMFYSA-N 1 2 323.400 2.957 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171613589 337088486 /nfs/dbraw/zinc/08/84/86/337088486.db2.gz HOQILUPOUHSLMB-AWEZNQCLSA-N 1 2 324.428 2.534 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171613589 337088487 /nfs/dbraw/zinc/08/84/87/337088487.db2.gz HOQILUPOUHSLMB-AWEZNQCLSA-N 1 2 324.428 2.534 20 30 DFEDLO Cc1cc(C(F)(F)F)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582789318 337166501 /nfs/dbraw/zinc/16/65/01/337166501.db2.gz VTRNJSGQCPVFSY-CQSZACIVSA-N 1 2 313.323 2.588 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCC[C@H]2C(=O)OCC)cc(OC)c1O ZINC000180769203 337177773 /nfs/dbraw/zinc/17/77/73/337177773.db2.gz CKCKWMQNRUQNFN-HNNXBMFYSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCC[C@H]2C(=O)OCC)cc(OC)c1O ZINC000180769203 337177774 /nfs/dbraw/zinc/17/77/74/337177774.db2.gz CKCKWMQNRUQNFN-HNNXBMFYSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(Cl)ccc1F ZINC000191099835 337293953 /nfs/dbraw/zinc/29/39/53/337293953.db2.gz RGPUDZLIEVTYTM-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(Cl)ccc1F ZINC000191099835 337293954 /nfs/dbraw/zinc/29/39/54/337293954.db2.gz RGPUDZLIEVTYTM-UHFFFAOYSA-N 1 2 300.761 2.552 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191146522 337294505 /nfs/dbraw/zinc/29/45/05/337294505.db2.gz URGFIWNDDFRTIK-ZDUSSCGKSA-N 1 2 317.389 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191146522 337294506 /nfs/dbraw/zinc/29/45/06/337294506.db2.gz URGFIWNDDFRTIK-ZDUSSCGKSA-N 1 2 317.389 2.941 20 30 DFEDLO C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000192023059 337302018 /nfs/dbraw/zinc/30/20/18/337302018.db2.gz SHZHZUASMYSLMQ-IBGZPJMESA-N 1 2 322.383 2.915 20 30 DFEDLO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000192023059 337302019 /nfs/dbraw/zinc/30/20/19/337302019.db2.gz SHZHZUASMYSLMQ-IBGZPJMESA-N 1 2 322.383 2.915 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000192095661 337302382 /nfs/dbraw/zinc/30/23/82/337302382.db2.gz OJSTVRJFEPPGTC-CQSZACIVSA-N 1 2 320.383 2.849 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000192095661 337302383 /nfs/dbraw/zinc/30/23/83/337302383.db2.gz OJSTVRJFEPPGTC-CQSZACIVSA-N 1 2 320.383 2.849 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000583875248 337367922 /nfs/dbraw/zinc/36/79/22/337367922.db2.gz CBRWXFXJWTXRNG-CYBMUJFWSA-N 1 2 318.179 2.706 20 30 DFEDLO N#CCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479376 337386641 /nfs/dbraw/zinc/38/66/41/337386641.db2.gz QSERBWQFKARGHA-ZDUSSCGKSA-N 1 2 300.337 2.969 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479376 337386642 /nfs/dbraw/zinc/38/66/42/337386642.db2.gz QSERBWQFKARGHA-ZDUSSCGKSA-N 1 2 300.337 2.969 20 30 DFEDLO CCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000106806252 337387249 /nfs/dbraw/zinc/38/72/49/337387249.db2.gz LORMZZQHTBLJPJ-KRWDZBQOSA-N 1 2 309.498 2.585 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896611 337393722 /nfs/dbraw/zinc/39/37/22/337393722.db2.gz AOAYCIXVXKGHAI-AWEZNQCLSA-N 1 2 317.458 2.845 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896611 337393723 /nfs/dbraw/zinc/39/37/23/337393723.db2.gz AOAYCIXVXKGHAI-AWEZNQCLSA-N 1 2 317.458 2.845 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCC#N ZINC000117892231 337393746 /nfs/dbraw/zinc/39/37/46/337393746.db2.gz RPHJCMFFBQSOPF-OAHLLOKOSA-N 1 2 301.390 2.710 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCCC#N ZINC000117892231 337393747 /nfs/dbraw/zinc/39/37/47/337393747.db2.gz RPHJCMFFBQSOPF-OAHLLOKOSA-N 1 2 301.390 2.710 20 30 DFEDLO C=CCNc1ncc(C(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000136302122 337454123 /nfs/dbraw/zinc/45/41/23/337454123.db2.gz YPHGJEZOBFTYDP-UHFFFAOYSA-N 1 2 319.434 2.524 20 30 DFEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419278780 337477447 /nfs/dbraw/zinc/47/74/47/337477447.db2.gz HQCGTZRFISRQPI-GUYCJALGSA-N 1 2 314.385 2.658 20 30 DFEDLO C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273556370 337655527 /nfs/dbraw/zinc/65/55/27/337655527.db2.gz HABLTGIHBHTYET-CYBMUJFWSA-N 1 2 319.405 2.992 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2OC)nn1 ZINC000424296464 337817003 /nfs/dbraw/zinc/81/70/03/337817003.db2.gz OQAVMWAKDDDSFU-LLVKDONJSA-N 1 2 306.797 2.977 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC)cc2Cl)nn1 ZINC000424300414 337817436 /nfs/dbraw/zinc/81/74/36/337817436.db2.gz XLPQMYUZVMMDAH-LLVKDONJSA-N 1 2 306.797 2.977 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000515629293 337994039 /nfs/dbraw/zinc/99/40/39/337994039.db2.gz VKLOZLQHZIFBHI-QGZVFWFLSA-N 1 2 319.474 2.981 20 30 DFEDLO NC(=O)c1ccc(C[N@H+](CC#Cc2ccccc2)C2CC2)c(F)c1 ZINC000428808668 338061353 /nfs/dbraw/zinc/06/13/53/338061353.db2.gz OGDKHDLOAKPCQY-UHFFFAOYSA-N 1 2 322.383 2.941 20 30 DFEDLO NC(=O)c1ccc(C[N@@H+](CC#Cc2ccccc2)C2CC2)c(F)c1 ZINC000428808668 338061354 /nfs/dbraw/zinc/06/13/54/338061354.db2.gz OGDKHDLOAKPCQY-UHFFFAOYSA-N 1 2 322.383 2.941 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000432108025 338145809 /nfs/dbraw/zinc/14/58/09/338145809.db2.gz MBHYSVYDPITXAJ-CQSZACIVSA-N 1 2 304.438 2.970 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000435600700 338243363 /nfs/dbraw/zinc/24/33/63/338243363.db2.gz FKFGQPOUTFZHBW-IAGOWNOFSA-N 1 2 324.428 2.970 20 30 DFEDLO C=CCOc1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1 ZINC000446841733 338537907 /nfs/dbraw/zinc/53/79/07/338537907.db2.gz AYHXLUIJDQAHJQ-UHFFFAOYSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCC[C@@H](NCc1cn2cc(C)ccc2[nH+]1)C(=O)OCC ZINC000449658657 338644741 /nfs/dbraw/zinc/64/47/41/338644741.db2.gz TZJCTMLZDNFPHH-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CCC1(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCCC1 ZINC000450848653 338708397 /nfs/dbraw/zinc/70/83/97/338708397.db2.gz RRASLBBIABCHTC-HOCLYGCPSA-N 1 2 317.433 2.893 20 30 DFEDLO C=C(CC)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000454642233 338868509 /nfs/dbraw/zinc/86/85/09/338868509.db2.gz LPXIJOWBEVXHSH-AWEZNQCLSA-N 1 2 311.376 2.833 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CCCC#N)ccc2n1[C@H](C)CO ZINC000456701829 338937513 /nfs/dbraw/zinc/93/75/13/338937513.db2.gz PIVIEYGATZKGGQ-LLVKDONJSA-N 1 2 300.362 2.530 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459320645 339021534 /nfs/dbraw/zinc/02/15/34/339021534.db2.gz FPVWPQWGEIZAKX-KRWDZBQOSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459320645 339021535 /nfs/dbraw/zinc/02/15/35/339021535.db2.gz FPVWPQWGEIZAKX-KRWDZBQOSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CCn1cccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000488577277 339788203 /nfs/dbraw/zinc/78/82/03/339788203.db2.gz OSHJNGYEOLKUAZ-UHFFFAOYSA-N 1 2 320.396 2.849 20 30 DFEDLO C#C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(F)cc1 ZINC000491297090 339856831 /nfs/dbraw/zinc/85/68/31/339856831.db2.gz ONDAQXKRXHATEW-DOMZBBRYSA-N 1 2 314.364 2.777 20 30 DFEDLO C#C[C@@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491567415 339867199 /nfs/dbraw/zinc/86/71/99/339867199.db2.gz LAKHOLMURBBGHF-GFCCVEGCSA-N 1 2 316.792 2.689 20 30 DFEDLO C#CCN(C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000491744298 339877991 /nfs/dbraw/zinc/87/79/91/339877991.db2.gz YUZBYBFWZFBJER-UKRRQHHQSA-N 1 2 300.406 2.866 20 30 DFEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491753395 339878852 /nfs/dbraw/zinc/87/88/52/339878852.db2.gz YWSNYWRHKNCWME-OAHLLOKOSA-N 1 2 316.792 2.600 20 30 DFEDLO CCOc1cccc(/C=[NH+]\CC2CCN(C(=O)OC)CC2)c1O ZINC000496488602 340006548 /nfs/dbraw/zinc/00/65/48/340006548.db2.gz CLRAISMGELUABI-PDGQHHTCSA-N 1 2 320.389 2.688 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000540952614 340952983 /nfs/dbraw/zinc/95/29/83/340952983.db2.gz RVSDBRXSDFKTBN-UHFFFAOYSA-N 1 2 315.461 2.553 20 30 DFEDLO N#CCC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000541949563 340990993 /nfs/dbraw/zinc/99/09/93/340990993.db2.gz WTEIMYPBTWYLBZ-UHFFFAOYSA-N 1 2 314.414 2.860 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134028042 341204783 /nfs/dbraw/zinc/20/47/83/341204783.db2.gz UBZDCGVCMSEODZ-CQSZACIVSA-N 1 2 302.393 2.773 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134028042 341204784 /nfs/dbraw/zinc/20/47/84/341204784.db2.gz UBZDCGVCMSEODZ-CQSZACIVSA-N 1 2 302.393 2.773 20 30 DFEDLO Cn1cc(CNc2cc(CC#N)cc[nH+]2)c(-c2ccncc2)n1 ZINC000547340463 341207247 /nfs/dbraw/zinc/20/72/47/341207247.db2.gz RNJWHFCSHMISBG-UHFFFAOYSA-N 1 2 304.357 2.555 20 30 DFEDLO COc1ccc(Br)c(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000548929141 341281230 /nfs/dbraw/zinc/28/12/30/341281230.db2.gz MNYHNVUKRNYKMW-NSHDSACASA-N 1 2 322.206 2.991 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000552017768 341361237 /nfs/dbraw/zinc/36/12/37/341361237.db2.gz ZMVBSICTZIMHRT-AWEZNQCLSA-N 1 2 300.381 2.959 20 30 DFEDLO C[C@H](C#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000248449220 341378054 /nfs/dbraw/zinc/37/80/54/341378054.db2.gz OLEGSFXRDHUBQL-KBRIMQKVSA-N 1 2 323.400 2.571 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000556180572 341496561 /nfs/dbraw/zinc/49/65/61/341496561.db2.gz XVDBKVOLCMMISY-QGZVFWFLSA-N 1 2 300.406 2.629 20 30 DFEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC=C(F)C1)CCC2 ZINC000299648532 534766350 /nfs/dbraw/zinc/76/63/50/534766350.db2.gz KVPDVYRUYCDVCZ-UHFFFAOYSA-N 1 2 319.405 2.996 20 30 DFEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC=C(F)C1)CCC2 ZINC000299648532 534766355 /nfs/dbraw/zinc/76/63/55/534766355.db2.gz KVPDVYRUYCDVCZ-UHFFFAOYSA-N 1 2 319.405 2.996 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1F ZINC000366051262 526548930 /nfs/dbraw/zinc/54/89/30/526548930.db2.gz AHMXQVYGZSINGW-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccc1F ZINC000366051262 526548936 /nfs/dbraw/zinc/54/89/36/526548936.db2.gz AHMXQVYGZSINGW-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302129050 527233030 /nfs/dbraw/zinc/23/30/30/527233030.db2.gz JNJAAMSVTWTUCG-OAHLLOKOSA-N 1 2 306.369 2.847 20 30 DFEDLO C=CCCOCC(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000683501658 546045681 /nfs/dbraw/zinc/04/56/81/546045681.db2.gz ACHOYQBYZXGYMQ-OAHLLOKOSA-N 1 2 303.406 2.545 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C)o3)C2)cc1 ZINC000683845560 546107333 /nfs/dbraw/zinc/10/73/33/546107333.db2.gz UWSMNAOJYFUKGG-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C)o3)C2)cc1 ZINC000683845560 546107337 /nfs/dbraw/zinc/10/73/37/546107337.db2.gz UWSMNAOJYFUKGG-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2nnc(C)o2)C1 ZINC000683845003 546107493 /nfs/dbraw/zinc/10/74/93/546107493.db2.gz DYXWMUDVMVEFJX-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2nnc(C)o2)C1 ZINC000683845003 546107495 /nfs/dbraw/zinc/10/74/95/546107495.db2.gz DYXWMUDVMVEFJX-MRXNPFEDSA-N 1 2 315.373 2.516 20 30 DFEDLO C=CCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684120961 546155104 /nfs/dbraw/zinc/15/51/04/546155104.db2.gz SFPNKBNBAOHCHH-INIZCTEOSA-N 1 2 312.417 2.969 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000684928915 546304149 /nfs/dbraw/zinc/30/41/49/546304149.db2.gz GZLKVWAQBJLTBI-CABCVRRESA-N 1 2 320.437 2.553 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000684928915 546304153 /nfs/dbraw/zinc/30/41/53/546304153.db2.gz GZLKVWAQBJLTBI-CABCVRRESA-N 1 2 320.437 2.553 20 30 DFEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826269775 607783394 /nfs/dbraw/zinc/78/33/94/607783394.db2.gz WWACPRPLKQVHRI-UHFFFAOYSA-N 1 2 307.361 2.512 20 30 DFEDLO C=CCCCN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000076940736 185059093 /nfs/dbraw/zinc/05/90/93/185059093.db2.gz VWGBLUAUMPPFPQ-UHFFFAOYSA-N 1 2 300.406 2.952 20 30 DFEDLO Cc1nc(N2CCC(C)(C#N)CC2)c(Br)c(C)[nH+]1 ZINC000596189737 398352504 /nfs/dbraw/zinc/35/25/04/398352504.db2.gz QOWJFIKQNCFKTG-UHFFFAOYSA-N 1 2 309.211 2.986 20 30 DFEDLO C=CCN(C(=O)[C@H](C)[NH+]1CC(C)C1)c1nc2c(s1)CCCC2 ZINC000578203856 398371630 /nfs/dbraw/zinc/37/16/30/398371630.db2.gz ATBLKGPYLVQAEB-ZDUSSCGKSA-N 1 2 319.474 2.881 20 30 DFEDLO COCC[N@H+](Cc1nc(C)cs1)Cc1ccc(C#N)cc1 ZINC000088588201 185258807 /nfs/dbraw/zinc/25/88/07/185258807.db2.gz VAPIWJLHHNYLOM-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO COCC[N@@H+](Cc1nc(C)cs1)Cc1ccc(C#N)cc1 ZINC000088588201 185258808 /nfs/dbraw/zinc/25/88/08/185258808.db2.gz VAPIWJLHHNYLOM-UHFFFAOYSA-N 1 2 301.415 2.972 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578903994 398377230 /nfs/dbraw/zinc/37/72/30/398377230.db2.gz DTFAYTYNNWFMAI-NEPJUHHUSA-N 1 2 304.350 2.512 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000592040664 398376126 /nfs/dbraw/zinc/37/61/26/398376126.db2.gz XGKBPPQLCQOEPO-INIZCTEOSA-N 1 2 323.400 2.913 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000066424828 398376475 /nfs/dbraw/zinc/37/64/75/398376475.db2.gz YTRARWJGUKYUCD-HNNXBMFYSA-N 1 2 317.433 2.573 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000066424828 398376479 /nfs/dbraw/zinc/37/64/79/398376479.db2.gz YTRARWJGUKYUCD-HNNXBMFYSA-N 1 2 317.433 2.573 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578903997 398377216 /nfs/dbraw/zinc/37/72/16/398377216.db2.gz DTFAYTYNNWFMAI-VXGBXAGGSA-N 1 2 304.350 2.512 20 30 DFEDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592083537 398380983 /nfs/dbraw/zinc/38/09/83/398380983.db2.gz UUMVHOQMQDHVFK-DYVFJYSZSA-N 1 2 309.369 2.593 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000592083715 398381172 /nfs/dbraw/zinc/38/11/72/398381172.db2.gz KIZYRAYVOZYXEM-KRWDZBQOSA-N 1 2 307.388 2.673 20 30 DFEDLO C[N@H+](Cc1ccncc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000592126306 398388241 /nfs/dbraw/zinc/38/82/41/398388241.db2.gz MRHIGLKREPZNAJ-MRXNPFEDSA-N 1 2 301.777 2.772 20 30 DFEDLO C[N@@H+](Cc1ccncc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000592126306 398388244 /nfs/dbraw/zinc/38/82/44/398388244.db2.gz MRHIGLKREPZNAJ-MRXNPFEDSA-N 1 2 301.777 2.772 20 30 DFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592125416 398388369 /nfs/dbraw/zinc/38/83/69/398388369.db2.gz WSPJLZZJUAXBMZ-ZFWWWQNUSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125416 398388373 /nfs/dbraw/zinc/38/83/73/398388373.db2.gz WSPJLZZJUAXBMZ-ZFWWWQNUSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134862 398389648 /nfs/dbraw/zinc/38/96/48/398389648.db2.gz OSPVXZQXSUYLPD-BBRMVZONSA-N 1 2 315.417 2.753 20 30 DFEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000592134862 398389650 /nfs/dbraw/zinc/38/96/50/398389650.db2.gz OSPVXZQXSUYLPD-BBRMVZONSA-N 1 2 315.417 2.753 20 30 DFEDLO C=CCC[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)C(=O)OCC ZINC000581410083 398390618 /nfs/dbraw/zinc/39/06/18/398390618.db2.gz QAMSPMXWOXFPMV-QGZVFWFLSA-N 1 2 313.401 2.860 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(CCC#N)CC2)on1 ZINC000592135589 398390663 /nfs/dbraw/zinc/39/06/63/398390663.db2.gz YMJYGEFQFCYZLW-UHFFFAOYSA-N 1 2 318.421 2.926 20 30 DFEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147149 398392720 /nfs/dbraw/zinc/39/27/20/398392720.db2.gz MDSXIUUFHXROFP-MEDUHNTESA-N 1 2 320.343 2.843 20 30 DFEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147149 398392724 /nfs/dbraw/zinc/39/27/24/398392724.db2.gz MDSXIUUFHXROFP-MEDUHNTESA-N 1 2 320.343 2.843 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135633 398394139 /nfs/dbraw/zinc/39/41/39/398394139.db2.gz FMHKLFACSYWNIW-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135633 398394141 /nfs/dbraw/zinc/39/41/41/398394141.db2.gz FMHKLFACSYWNIW-ZDUSSCGKSA-N 1 2 320.383 2.912 20 30 DFEDLO Cc1ccc(-c2nc(C=C(O)NC3=[NH+]CCS3)cs2)cc1 ZINC000019677754 398407771 /nfs/dbraw/zinc/40/77/71/398407771.db2.gz MNWAIHFSYVLKPD-UHFFFAOYSA-N 1 2 317.439 2.880 20 30 DFEDLO C=CCCSCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000596413282 398406808 /nfs/dbraw/zinc/40/68/08/398406808.db2.gz IXOIQHYUWPOODI-UHFFFAOYSA-N 1 2 310.492 2.751 20 30 DFEDLO C=CCCSCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000596413282 398406812 /nfs/dbraw/zinc/40/68/12/398406812.db2.gz IXOIQHYUWPOODI-UHFFFAOYSA-N 1 2 310.492 2.751 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC(C2CCC2)CC1 ZINC000596428280 398409957 /nfs/dbraw/zinc/40/99/57/398409957.db2.gz RVESNHAAMAYMNH-UHFFFAOYSA-N 1 2 310.405 2.756 20 30 DFEDLO C=C[C@@H]([NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(=O)OC ZINC000592446157 398427226 /nfs/dbraw/zinc/42/72/26/398427226.db2.gz XKMMSCSREDENIH-BXUZGUMPSA-N 1 2 318.804 2.996 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCC(F)CC1)c1cccc(C#N)c1 ZINC000592445640 398427422 /nfs/dbraw/zinc/42/74/22/398427422.db2.gz UCVNHCULJRENAI-VDSRIPIWSA-N 1 2 304.365 2.890 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000026323279 282357363 /nfs/dbraw/zinc/35/73/63/282357363.db2.gz FTQXPYWQAALXGD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000026323279 282357365 /nfs/dbraw/zinc/35/73/65/282357365.db2.gz FTQXPYWQAALXGD-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000586777779 398457898 /nfs/dbraw/zinc/45/78/98/398457898.db2.gz YHBSBDKHPQFVFJ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000586777779 398457901 /nfs/dbraw/zinc/45/79/01/398457901.db2.gz YHBSBDKHPQFVFJ-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000586819034 398465148 /nfs/dbraw/zinc/46/51/48/398465148.db2.gz NLVFBZPMMANDLI-UHFFFAOYSA-N 1 2 309.373 2.748 20 30 DFEDLO COc1ccc([C@H](Nc2ncccc2C#N)c2[nH+]ccn2C)cc1 ZINC000028620609 398474241 /nfs/dbraw/zinc/47/42/41/398474241.db2.gz AQSWCNWXHRXXIC-INIZCTEOSA-N 1 2 319.368 2.897 20 30 DFEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)n1 ZINC000588018599 398477305 /nfs/dbraw/zinc/47/73/05/398477305.db2.gz WDEYVHZZNQMOMV-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000588212168 398490014 /nfs/dbraw/zinc/49/00/14/398490014.db2.gz NKFSDLVOBRLCLC-ZDUSSCGKSA-N 1 2 322.416 2.779 20 30 DFEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000588212168 398490017 /nfs/dbraw/zinc/49/00/17/398490017.db2.gz NKFSDLVOBRLCLC-ZDUSSCGKSA-N 1 2 322.416 2.779 20 30 DFEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C#N)C[C@H]1n1cc[nH+]c1 ZINC000596766974 398496951 /nfs/dbraw/zinc/49/69/51/398496951.db2.gz NRYUSWAVURFFQC-QKPAOTATSA-N 1 2 315.421 2.558 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030221112 398498231 /nfs/dbraw/zinc/49/82/31/398498231.db2.gz PULJKFKTSHTZNG-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000596770355 398498279 /nfs/dbraw/zinc/49/82/79/398498279.db2.gz IRAAOBBFRHALBY-HUUCEWRRSA-N 1 2 315.421 2.655 20 30 DFEDLO N#CCc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000068422448 398502268 /nfs/dbraw/zinc/50/22/68/398502268.db2.gz LMUJGFQLJWJNHI-UHFFFAOYSA-N 1 2 308.385 2.770 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091077919 398508282 /nfs/dbraw/zinc/50/82/82/398508282.db2.gz JRTVUTHUGQQHQS-UHFFFAOYSA-N 1 2 321.302 2.718 20 30 DFEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091077919 398508284 /nfs/dbraw/zinc/50/82/84/398508284.db2.gz JRTVUTHUGQQHQS-UHFFFAOYSA-N 1 2 321.302 2.718 20 30 DFEDLO C=C(CNc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000588840819 398511140 /nfs/dbraw/zinc/51/11/40/398511140.db2.gz NTDZFPXWWMSESK-UHFFFAOYSA-N 1 2 304.357 2.865 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc(Cl)c(F)c1 ZINC000592999774 398516809 /nfs/dbraw/zinc/51/68/09/398516809.db2.gz RFRCSFKBFCVUOJ-JTQLQIEISA-N 1 2 302.802 2.778 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc(Cl)c(F)c1 ZINC000592999774 398516811 /nfs/dbraw/zinc/51/68/11/398516811.db2.gz RFRCSFKBFCVUOJ-JTQLQIEISA-N 1 2 302.802 2.778 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000593022727 398523551 /nfs/dbraw/zinc/52/35/51/398523551.db2.gz JCNLALHKLLONCX-GFCCVEGCSA-N 1 2 311.288 2.670 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000593022727 398523552 /nfs/dbraw/zinc/52/35/52/398523552.db2.gz JCNLALHKLLONCX-GFCCVEGCSA-N 1 2 311.288 2.670 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000596907478 398526950 /nfs/dbraw/zinc/52/69/50/398526950.db2.gz XVBMLIDBARXRKX-CJNGLKHVSA-N 1 2 322.412 2.996 20 30 DFEDLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000596907478 398526952 /nfs/dbraw/zinc/52/69/52/398526952.db2.gz XVBMLIDBARXRKX-CJNGLKHVSA-N 1 2 322.412 2.996 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000279708542 215078987 /nfs/dbraw/zinc/07/89/87/215078987.db2.gz JZSQPBKVHFDIBU-OAHLLOKOSA-N 1 2 318.442 2.990 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)CC1 ZINC000279708542 215078988 /nfs/dbraw/zinc/07/89/88/215078988.db2.gz JZSQPBKVHFDIBU-OAHLLOKOSA-N 1 2 318.442 2.990 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058072 398533996 /nfs/dbraw/zinc/53/39/96/398533996.db2.gz IUOWBSWWVUZCKW-CABCVRRESA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593058072 398533999 /nfs/dbraw/zinc/53/39/99/398533999.db2.gz IUOWBSWWVUZCKW-CABCVRRESA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)CO1 ZINC000593062483 398535690 /nfs/dbraw/zinc/53/56/90/398535690.db2.gz GTSJSZFZHYFVJZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)CO1 ZINC000593062483 398535693 /nfs/dbraw/zinc/53/56/93/398535693.db2.gz GTSJSZFZHYFVJZ-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO Cn1ccnc1[C@@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000596978118 398539255 /nfs/dbraw/zinc/53/92/55/398539255.db2.gz TZPRQCAFCPGGTR-GOEBONIOSA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1ccnc1[C@@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000596978118 398539258 /nfs/dbraw/zinc/53/92/58/398539258.db2.gz TZPRQCAFCPGGTR-GOEBONIOSA-N 1 2 314.389 2.507 20 30 DFEDLO N#Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000589328688 398546329 /nfs/dbraw/zinc/54/63/29/398546329.db2.gz JQCOAMPEIHFWEY-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(C#N)cc3)cn21 ZINC000069037205 398545063 /nfs/dbraw/zinc/54/50/63/398545063.db2.gz QLRKEUXVOGTPPC-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO N#Cc1cccc2c1C[N@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000593119762 398550909 /nfs/dbraw/zinc/55/09/09/398550909.db2.gz GACNMOCUPUKBKH-SFHVURJKSA-N 1 2 303.365 2.679 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000593119762 398550912 /nfs/dbraw/zinc/55/09/12/398550912.db2.gz GACNMOCUPUKBKH-SFHVURJKSA-N 1 2 303.365 2.679 20 30 DFEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125453 398553745 /nfs/dbraw/zinc/55/37/45/398553745.db2.gz NHCWRKDHPZJDHL-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125453 398553751 /nfs/dbraw/zinc/55/37/51/398553751.db2.gz NHCWRKDHPZJDHL-GOSISDBHSA-N 1 2 322.408 2.931 20 30 DFEDLO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127680 398553150 /nfs/dbraw/zinc/55/31/50/398553150.db2.gz SNPYLDYKRRUEIF-UHFFFAOYSA-N 1 2 321.380 2.911 20 30 DFEDLO COc1ccc(NC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127680 398553151 /nfs/dbraw/zinc/55/31/51/398553151.db2.gz SNPYLDYKRRUEIF-UHFFFAOYSA-N 1 2 321.380 2.911 20 30 DFEDLO CCOC(=O)CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589503326 398557250 /nfs/dbraw/zinc/55/72/50/398557250.db2.gz SNNPUJJQKLXPES-UHFFFAOYSA-N 1 2 307.419 2.570 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCCOc4ccccc43)n2c1 ZINC000589517115 398558711 /nfs/dbraw/zinc/55/87/11/398558711.db2.gz XRIIAVLFVHLFGP-UHFFFAOYSA-N 1 2 304.353 2.995 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccco2)s1 ZINC000593154477 398559512 /nfs/dbraw/zinc/55/95/12/398559512.db2.gz VOPGKFWAYWQMJL-HNNXBMFYSA-N 1 2 303.387 2.582 20 30 DFEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000597082526 398562739 /nfs/dbraw/zinc/56/27/39/398562739.db2.gz VPYNJZKYKGBRCL-HNNXBMFYSA-N 1 2 300.402 2.919 20 30 DFEDLO C=CC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000041283111 398564396 /nfs/dbraw/zinc/56/43/96/398564396.db2.gz MGZPWLQFILWPEB-UHFFFAOYSA-N 1 2 318.808 2.694 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279895132 215214690 /nfs/dbraw/zinc/21/46/90/215214690.db2.gz UYTYDNJDLJMOCW-BSXFFOKHSA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279895132 215214694 /nfs/dbraw/zinc/21/46/94/215214694.db2.gz UYTYDNJDLJMOCW-BSXFFOKHSA-N 1 2 300.402 2.888 20 30 DFEDLO Cc1nn(C)c(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1Br ZINC000597195527 398587407 /nfs/dbraw/zinc/58/74/07/398587407.db2.gz JPCOIYJQZCSIRT-WDEREUQCSA-N 1 2 311.227 2.663 20 30 DFEDLO C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccc(C#N)cc1 ZINC000042326752 398588217 /nfs/dbraw/zinc/58/82/17/398588217.db2.gz SHBWNELSKNABSW-ZDUSSCGKSA-N 1 2 323.400 2.580 20 30 DFEDLO C=CCN(CCC#N)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000590002364 398589022 /nfs/dbraw/zinc/58/90/22/398589022.db2.gz AQBGQQXEQKBTAI-UHFFFAOYSA-N 1 2 319.206 2.998 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000590006161 398589057 /nfs/dbraw/zinc/58/90/57/398589057.db2.gz ADKJSYIOYHYIHX-UHFFFAOYSA-N 1 2 310.353 2.550 20 30 DFEDLO CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cn1 ZINC000590053928 398592451 /nfs/dbraw/zinc/59/24/51/398592451.db2.gz OKYFMTMKQNELHN-MSOLQXFVSA-N 1 2 306.413 2.887 20 30 DFEDLO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cn1 ZINC000590053928 398592452 /nfs/dbraw/zinc/59/24/52/398592452.db2.gz OKYFMTMKQNELHN-MSOLQXFVSA-N 1 2 306.413 2.887 20 30 DFEDLO N#CC1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC1 ZINC000593317006 398596607 /nfs/dbraw/zinc/59/66/07/398596607.db2.gz NTOPEKVMZRVTSG-UHFFFAOYSA-N 1 2 323.400 2.755 20 30 DFEDLO C[C@]1(C#N)CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000597229529 398597671 /nfs/dbraw/zinc/59/76/71/398597671.db2.gz BYLJJACKDCGQID-QGZVFWFLSA-N 1 2 319.836 2.912 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000597229529 398597675 /nfs/dbraw/zinc/59/76/75/398597675.db2.gz BYLJJACKDCGQID-QGZVFWFLSA-N 1 2 319.836 2.912 20 30 DFEDLO COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231348 398598925 /nfs/dbraw/zinc/59/89/25/398598925.db2.gz LPGMSHYDAJJPIU-SFHVURJKSA-N 1 2 308.385 2.888 20 30 DFEDLO COc1ccccc1-c1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231348 398598930 /nfs/dbraw/zinc/59/89/30/398598930.db2.gz LPGMSHYDAJJPIU-SFHVURJKSA-N 1 2 308.385 2.888 20 30 DFEDLO N#CC1(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000590295546 398611647 /nfs/dbraw/zinc/61/16/47/398611647.db2.gz XAMCWSNAVQPDMV-UHFFFAOYSA-N 1 2 322.412 2.826 20 30 DFEDLO CC[C@@]([NH2+]CCCSCC#N)(C(=O)OC)c1ccccc1 ZINC000072517813 398618233 /nfs/dbraw/zinc/61/82/33/398618233.db2.gz VDURJKFIBYPAJO-INIZCTEOSA-N 1 2 306.431 2.701 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)CC1 ZINC000590363776 398616909 /nfs/dbraw/zinc/61/69/09/398616909.db2.gz SDAGNFBDYVEJDN-CQSZACIVSA-N 1 2 303.793 2.507 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000351188677 398622307 /nfs/dbraw/zinc/62/23/07/398622307.db2.gz WPCJHWPSVMNYKA-SJCJKPOMSA-N 1 2 305.341 2.783 20 30 DFEDLO C[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000593430238 398625714 /nfs/dbraw/zinc/62/57/14/398625714.db2.gz NRYDFMXQGWINSW-LSDHHAIUSA-N 1 2 315.421 2.560 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC2(C#N)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000593430226 398626117 /nfs/dbraw/zinc/62/61/17/398626117.db2.gz NRYDFMXQGWINSW-CABCVRRESA-N 1 2 315.421 2.560 20 30 DFEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152675039 186096178 /nfs/dbraw/zinc/09/61/78/186096178.db2.gz COKGTIJVRCPIAL-HNNXBMFYSA-N 1 2 323.396 2.655 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000593450028 398633214 /nfs/dbraw/zinc/63/32/14/398633214.db2.gz DVALYIYXCMBYPR-ZIAGYGMSSA-N 1 2 301.390 2.568 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093332279 398631164 /nfs/dbraw/zinc/63/11/64/398631164.db2.gz RBVAVRLRWGYRMW-HIFRSBDPSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093332279 398631168 /nfs/dbraw/zinc/63/11/68/398631168.db2.gz RBVAVRLRWGYRMW-HIFRSBDPSA-N 1 2 320.458 2.606 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(C#N)c1C ZINC000072771764 398637064 /nfs/dbraw/zinc/63/70/64/398637064.db2.gz KKHDTUZGPBXKPB-UWVGGRQHSA-N 1 2 307.419 2.532 20 30 DFEDLO N#C[C@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)CC12CCCC2 ZINC000590625958 398641095 /nfs/dbraw/zinc/64/10/95/398641095.db2.gz XNNAVWKTEZKJHJ-IBGZPJMESA-N 1 2 309.413 2.592 20 30 DFEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000364813105 398646556 /nfs/dbraw/zinc/64/65/56/398646556.db2.gz SOUAZNNZKXNGAA-NVXWUHKLSA-N 1 2 317.433 2.549 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000593551653 398654711 /nfs/dbraw/zinc/65/47/11/398654711.db2.gz CJASSXZPTNDLHB-GJZGRUSLSA-N 1 2 310.401 2.886 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCCCC1(F)F ZINC000590706974 398655827 /nfs/dbraw/zinc/65/58/27/398655827.db2.gz QVXBBSLCLSTOBQ-NSHDSACASA-N 1 2 320.347 2.977 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(CCC#N)CC2)c(Br)c1 ZINC000590709447 398656933 /nfs/dbraw/zinc/65/69/33/398656933.db2.gz OFQFOBZTXCEACB-UHFFFAOYSA-N 1 2 322.250 2.789 20 30 DFEDLO C[C@H](CC#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000597534230 398657272 /nfs/dbraw/zinc/65/72/72/398657272.db2.gz LYCMCMJDEWPEIV-RDBSUJKOSA-N 1 2 323.437 2.669 20 30 DFEDLO C[C@H](CC#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000597534230 398657274 /nfs/dbraw/zinc/65/72/74/398657274.db2.gz LYCMCMJDEWPEIV-RDBSUJKOSA-N 1 2 323.437 2.669 20 30 DFEDLO CC(C)n1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000172013342 198026048 /nfs/dbraw/zinc/02/60/48/198026048.db2.gz JHIAYUBEJVLRAM-UHFFFAOYSA-N 1 2 309.417 2.658 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccc(C#N)cc1)C2 ZINC000172003155 198023656 /nfs/dbraw/zinc/02/36/56/198023656.db2.gz UISADFOVQTXIRZ-UHFFFAOYSA-N 1 2 322.412 2.543 20 30 DFEDLO N#Cc1c(F)cccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000045026569 398660032 /nfs/dbraw/zinc/66/00/32/398660032.db2.gz HHALRGKMSRBANT-UHFFFAOYSA-N 1 2 312.348 2.541 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000593656257 398666938 /nfs/dbraw/zinc/66/69/38/398666938.db2.gz JUXJOGFUOKTXQI-DOMZBBRYSA-N 1 2 300.406 2.512 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c(C#N)c1C ZINC000590758687 398668185 /nfs/dbraw/zinc/66/81/85/398668185.db2.gz LCIYXSWYNNLPHB-AWEZNQCLSA-N 1 2 319.430 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)c(C#N)c1C ZINC000590758687 398668190 /nfs/dbraw/zinc/66/81/90/398668190.db2.gz LCIYXSWYNNLPHB-AWEZNQCLSA-N 1 2 319.430 2.534 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045491885 398674871 /nfs/dbraw/zinc/67/48/71/398674871.db2.gz FSSPLACSYCYQAO-UHFFFAOYSA-N 1 2 304.781 2.871 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000072837227 191236861 /nfs/dbraw/zinc/23/68/61/191236861.db2.gz IRWUODPSJHPZBR-CQSZACIVSA-N 1 2 321.446 2.780 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)c(C#N)c1C ZINC000072837227 191236864 /nfs/dbraw/zinc/23/68/64/191236864.db2.gz IRWUODPSJHPZBR-CQSZACIVSA-N 1 2 321.446 2.780 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)c2[nH+]ccn21 ZINC000590875767 398692654 /nfs/dbraw/zinc/69/26/54/398692654.db2.gz WMNJVFHGSLKELW-TZMCWYRMSA-N 1 2 319.368 2.797 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)CC3(C#N)CC3)ccc2n1[C@@H](C)CO ZINC000590883612 398695244 /nfs/dbraw/zinc/69/52/44/398695244.db2.gz JXAPYGNUCPDUNG-NSHDSACASA-N 1 2 312.373 2.530 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597784541 398695263 /nfs/dbraw/zinc/69/52/63/398695263.db2.gz HPYYDYMKEBZOGE-GDBMZVCRSA-N 1 2 320.396 2.580 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597784541 398695267 /nfs/dbraw/zinc/69/52/67/398695267.db2.gz HPYYDYMKEBZOGE-GDBMZVCRSA-N 1 2 320.396 2.580 20 30 DFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593850839 398696992 /nfs/dbraw/zinc/69/69/92/398696992.db2.gz WLJSXJJSIFSPKV-NSHDSACASA-N 1 2 308.345 2.529 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000590953921 398706920 /nfs/dbraw/zinc/70/69/20/398706920.db2.gz PEVZJJUYYOABTM-HNNXBMFYSA-N 1 2 324.340 2.515 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000590953921 398706922 /nfs/dbraw/zinc/70/69/22/398706922.db2.gz PEVZJJUYYOABTM-HNNXBMFYSA-N 1 2 324.340 2.515 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCC#N)c1cccc(F)c1 ZINC000593953151 398707314 /nfs/dbraw/zinc/70/73/14/398707314.db2.gz YSKGEPCFVVFEHP-MRXNPFEDSA-N 1 2 314.364 2.849 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000590959265 398707882 /nfs/dbraw/zinc/70/78/82/398707882.db2.gz QIOKAFINGZCDPS-GXSJLCMTSA-N 1 2 314.414 2.667 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1F ZINC000176351841 198577803 /nfs/dbraw/zinc/57/78/03/198577803.db2.gz HQTTVTUWJQQPIL-CQSZACIVSA-N 1 2 313.336 2.590 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056024 398719564 /nfs/dbraw/zinc/71/95/64/398719564.db2.gz SSAOEZBCUHIQCR-KBPBESRZSA-N 1 2 311.422 2.548 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056024 398719565 /nfs/dbraw/zinc/71/95/65/398719565.db2.gz SSAOEZBCUHIQCR-KBPBESRZSA-N 1 2 311.422 2.548 20 30 DFEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCCCC1 ZINC000597939759 398724542 /nfs/dbraw/zinc/72/45/42/398724542.db2.gz AVINHVFCEABWRT-UHFFFAOYSA-N 1 2 312.417 2.772 20 30 DFEDLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000046944505 398726418 /nfs/dbraw/zinc/72/64/18/398726418.db2.gz NMMZTHBEWBFWJW-AWEZNQCLSA-N 1 2 323.400 2.816 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCCC[C@H]1C#N ZINC000598087683 398751582 /nfs/dbraw/zinc/75/15/82/398751582.db2.gz LGNCATAZJXPUQJ-GJZGRUSLSA-N 1 2 310.401 2.933 20 30 DFEDLO CC(C)NC(=O)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177266594 198696626 /nfs/dbraw/zinc/69/66/26/198696626.db2.gz FFLPHSYDBVXOLO-UHFFFAOYSA-N 1 2 312.335 2.513 20 30 DFEDLO CC(C)NC(=O)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177266594 198696628 /nfs/dbraw/zinc/69/66/28/198696628.db2.gz FFLPHSYDBVXOLO-UHFFFAOYSA-N 1 2 312.335 2.513 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1F ZINC000191981008 283140953 /nfs/dbraw/zinc/14/09/53/283140953.db2.gz NKZTUUZPHODBRE-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1F ZINC000191981008 283140957 /nfs/dbraw/zinc/14/09/57/283140957.db2.gz NKZTUUZPHODBRE-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000594256253 398776078 /nfs/dbraw/zinc/77/60/78/398776078.db2.gz OBOGZSQQHHQCDD-AWEZNQCLSA-N 1 2 322.412 2.866 20 30 DFEDLO N#Cc1ccc(SCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000364093154 283185721 /nfs/dbraw/zinc/18/57/21/283185721.db2.gz KDASIQGGLUEXQP-CQSZACIVSA-N 1 2 312.398 2.737 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(NC2CCCC2)c1 ZINC000591774113 398786861 /nfs/dbraw/zinc/78/68/61/398786861.db2.gz RVLXMXWMBJULIU-GOSISDBHSA-N 1 2 316.449 2.659 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(NC2CCCC2)c1 ZINC000591774113 398786864 /nfs/dbraw/zinc/78/68/64/398786864.db2.gz RVLXMXWMBJULIU-GOSISDBHSA-N 1 2 316.449 2.659 20 30 DFEDLO C#CCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276940474 213191763 /nfs/dbraw/zinc/19/17/63/213191763.db2.gz ARYWKRZAEHJZED-OAHLLOKOSA-N 1 2 300.402 2.822 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000125969647 398810107 /nfs/dbraw/zinc/81/01/07/398810107.db2.gz KYHXNXRMRWXULR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000125969647 398810110 /nfs/dbraw/zinc/81/01/10/398810110.db2.gz KYHXNXRMRWXULR-UHFFFAOYSA-N 1 2 310.397 2.739 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(C(C)C)c2)c1 ZINC000179387099 199026269 /nfs/dbraw/zinc/02/62/69/199026269.db2.gz QGWBRQLNHQVNJM-UHFFFAOYSA-N 1 2 310.401 2.516 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(C(C)C)c2)c1 ZINC000179387099 199026270 /nfs/dbraw/zinc/02/62/70/199026270.db2.gz QGWBRQLNHQVNJM-UHFFFAOYSA-N 1 2 310.401 2.516 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)o1 ZINC000179501406 199047112 /nfs/dbraw/zinc/04/71/12/199047112.db2.gz YFFUZPSPPNTDPU-UHFFFAOYSA-N 1 2 308.341 2.615 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000179557175 199054370 /nfs/dbraw/zinc/05/43/70/199054370.db2.gz RWPJDFRBCVPGER-QGZVFWFLSA-N 1 2 312.369 2.757 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179557175 199054372 /nfs/dbraw/zinc/05/43/72/199054372.db2.gz RWPJDFRBCVPGER-QGZVFWFLSA-N 1 2 312.369 2.757 20 30 DFEDLO COc1c(C)[nH+]cnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000594548921 398819482 /nfs/dbraw/zinc/81/94/82/398819482.db2.gz ZEOBWAJCKCTZDW-UHFFFAOYSA-N 1 2 324.384 2.713 20 30 DFEDLO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591244 398825761 /nfs/dbraw/zinc/82/57/61/398825761.db2.gz IZORKWKAWQGCFE-SDDRHHMPSA-N 1 2 308.813 2.516 20 30 DFEDLO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591244 398825763 /nfs/dbraw/zinc/82/57/63/398825763.db2.gz IZORKWKAWQGCFE-SDDRHHMPSA-N 1 2 308.813 2.516 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000594610324 398832145 /nfs/dbraw/zinc/83/21/45/398832145.db2.gz BTDNREORZOGSGR-UHFFFAOYSA-N 1 2 319.408 2.911 20 30 DFEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000594610324 398832149 /nfs/dbraw/zinc/83/21/49/398832149.db2.gz BTDNREORZOGSGR-UHFFFAOYSA-N 1 2 319.408 2.911 20 30 DFEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000152533501 283328194 /nfs/dbraw/zinc/32/81/94/283328194.db2.gz WGSFJPOILGRIAX-UHFFFAOYSA-N 1 2 323.396 2.595 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000598606445 398840776 /nfs/dbraw/zinc/84/07/76/398840776.db2.gz GKPJJFXKFAUROZ-NWDGAFQWSA-N 1 2 311.476 2.534 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000598606445 398840777 /nfs/dbraw/zinc/84/07/77/398840777.db2.gz GKPJJFXKFAUROZ-NWDGAFQWSA-N 1 2 311.476 2.534 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCCCCC1 ZINC000598624267 398843224 /nfs/dbraw/zinc/84/32/24/398843224.db2.gz YLXYGUSPKDWFGD-JKSUJKDBSA-N 1 2 324.465 2.779 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CCCC1 ZINC000076153649 398843622 /nfs/dbraw/zinc/84/36/22/398843622.db2.gz TWGXYIQUWGHVEF-MSOLQXFVSA-N 1 2 311.429 2.817 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000076153649 398843623 /nfs/dbraw/zinc/84/36/23/398843623.db2.gz TWGXYIQUWGHVEF-MSOLQXFVSA-N 1 2 311.429 2.817 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)NC1(C#N)CCCCC1 ZINC000594709193 398846784 /nfs/dbraw/zinc/84/67/84/398846784.db2.gz DKUUAGJGKONCGL-VXGBXAGGSA-N 1 2 306.435 2.525 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(C#N)c1 ZINC000594710592 398846881 /nfs/dbraw/zinc/84/68/81/398846881.db2.gz JGJIPYQOHQRUHE-QWRGUYRKSA-N 1 2 300.387 2.693 20 30 DFEDLO C[C@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)N(C)CCC#N ZINC000598651157 398848424 /nfs/dbraw/zinc/84/84/24/398848424.db2.gz WSFSXIYKBUXSCX-WCQYABFASA-N 1 2 301.381 2.551 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000076718968 398867290 /nfs/dbraw/zinc/86/72/90/398867290.db2.gz GLEOKYBMXLDMGQ-OLZOCXBDSA-N 1 2 305.447 2.675 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000076718968 398867292 /nfs/dbraw/zinc/86/72/92/398867292.db2.gz GLEOKYBMXLDMGQ-OLZOCXBDSA-N 1 2 305.447 2.675 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135119776 398869814 /nfs/dbraw/zinc/86/98/14/398869814.db2.gz WCJKEWNWTGHMSB-UHFFFAOYSA-N 1 2 304.390 2.614 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135119776 398869817 /nfs/dbraw/zinc/86/98/17/398869817.db2.gz WCJKEWNWTGHMSB-UHFFFAOYSA-N 1 2 304.390 2.614 20 30 DFEDLO N#CC1(C[NH2+]Cc2cnnn2Cc2ccccc2)CCCCC1 ZINC000594981948 398886529 /nfs/dbraw/zinc/88/65/29/398886529.db2.gz WATDETKAIPKQBX-UHFFFAOYSA-N 1 2 309.417 2.890 20 30 DFEDLO C#CCOc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000181145727 199256944 /nfs/dbraw/zinc/25/69/44/199256944.db2.gz GJGZKPHUIAXPEG-UHFFFAOYSA-N 1 2 303.793 2.718 20 30 DFEDLO C#CCOc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000181145727 199256946 /nfs/dbraw/zinc/25/69/46/199256946.db2.gz GJGZKPHUIAXPEG-UHFFFAOYSA-N 1 2 303.793 2.718 20 30 DFEDLO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)c2ccccc2n1 ZINC000599133168 398926316 /nfs/dbraw/zinc/92/63/16/398926316.db2.gz CPUKOWOAMPJVCX-CYBMUJFWSA-N 1 2 316.355 2.670 20 30 DFEDLO N#Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)c2ccccc2n1 ZINC000599133168 398926319 /nfs/dbraw/zinc/92/63/19/398926319.db2.gz CPUKOWOAMPJVCX-CYBMUJFWSA-N 1 2 316.355 2.670 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153177974 398935159 /nfs/dbraw/zinc/93/51/59/398935159.db2.gz PXLNCYGELKYQMZ-LLVKDONJSA-N 1 2 323.322 2.841 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153177974 398935161 /nfs/dbraw/zinc/93/51/61/398935161.db2.gz PXLNCYGELKYQMZ-LLVKDONJSA-N 1 2 323.322 2.841 20 30 DFEDLO CN1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000595465040 398944259 /nfs/dbraw/zinc/94/42/59/398944259.db2.gz MOEIFSGJMORQNU-LSDHHAIUSA-N 1 2 315.808 2.616 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000055816078 398944445 /nfs/dbraw/zinc/94/44/45/398944445.db2.gz KVRMCEUQHOVFAU-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000595520957 398955862 /nfs/dbraw/zinc/95/58/62/398955862.db2.gz UHDPDTAZYHNNAM-UHFFFAOYSA-N 1 2 300.337 2.526 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599336680 398956410 /nfs/dbraw/zinc/95/64/10/398956410.db2.gz MPISARKEEQHCQG-MRXNPFEDSA-N 1 2 307.825 2.711 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000604559822 398958437 /nfs/dbraw/zinc/95/84/37/398958437.db2.gz WYLQREQOLXFQKQ-DGKWVBSXSA-N 1 2 322.416 2.755 20 30 DFEDLO Cc1c[nH]c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]1 ZINC000600156732 398976807 /nfs/dbraw/zinc/97/68/07/398976807.db2.gz SLPOTBJRBZPPSN-UHFFFAOYSA-N 1 2 315.808 2.565 20 30 DFEDLO C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1[nH+]ccn1C ZINC000595568856 398976888 /nfs/dbraw/zinc/97/68/88/398976888.db2.gz VXEGZPLIHKFMCO-HIFRSBDPSA-N 1 2 311.389 2.825 20 30 DFEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000599454426 398986228 /nfs/dbraw/zinc/98/62/28/398986228.db2.gz NHPPAQCGHXFSNZ-CVEARBPZSA-N 1 2 322.449 2.533 20 30 DFEDLO N#CCc1cc[nH+]c(NCc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000613443298 398988143 /nfs/dbraw/zinc/98/81/43/398988143.db2.gz YMEMUTHGTNJCOG-UHFFFAOYSA-N 1 2 306.369 2.652 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000595609950 398996900 /nfs/dbraw/zinc/99/69/00/398996900.db2.gz QSBVDHDNYLUDEW-GFCCVEGCSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000595609950 398996903 /nfs/dbraw/zinc/99/69/03/398996903.db2.gz QSBVDHDNYLUDEW-GFCCVEGCSA-N 1 2 323.343 2.852 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000595613409 399000715 /nfs/dbraw/zinc/00/07/15/399000715.db2.gz CQBSZSKPDYIVMA-AWEZNQCLSA-N 1 2 315.421 2.562 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000595613409 399000717 /nfs/dbraw/zinc/00/07/17/399000717.db2.gz CQBSZSKPDYIVMA-AWEZNQCLSA-N 1 2 315.421 2.562 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595614687 399000830 /nfs/dbraw/zinc/00/08/30/399000830.db2.gz MOTUBNHXQYXMPF-ZDUSSCGKSA-N 1 2 305.447 2.552 20 30 DFEDLO CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595614687 399000832 /nfs/dbraw/zinc/00/08/32/399000832.db2.gz MOTUBNHXQYXMPF-ZDUSSCGKSA-N 1 2 305.447 2.552 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000275520320 212391145 /nfs/dbraw/zinc/39/11/45/212391145.db2.gz DVDGAZYXBAQYQH-NEPJUHHUSA-N 1 2 300.362 2.842 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000275520320 212391148 /nfs/dbraw/zinc/39/11/48/212391148.db2.gz DVDGAZYXBAQYQH-NEPJUHHUSA-N 1 2 300.362 2.842 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000599550042 399012352 /nfs/dbraw/zinc/01/23/52/399012352.db2.gz VSPFSFYWDJWTGA-NWDGAFQWSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000599550042 399012356 /nfs/dbraw/zinc/01/23/56/399012356.db2.gz VSPFSFYWDJWTGA-NWDGAFQWSA-N 1 2 302.349 2.663 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC(F)(F)CC1 ZINC000599552147 399012557 /nfs/dbraw/zinc/01/25/57/399012557.db2.gz GIGNGIGXMQBUSS-CQSZACIVSA-N 1 2 308.328 2.894 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC(F)(F)CC1 ZINC000599552147 399012563 /nfs/dbraw/zinc/01/25/63/399012563.db2.gz GIGNGIGXMQBUSS-CQSZACIVSA-N 1 2 308.328 2.894 20 30 DFEDLO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)COC ZINC000595646455 399018801 /nfs/dbraw/zinc/01/88/01/399018801.db2.gz JXKBUVTXMJJCHS-ZDUSSCGKSA-N 1 2 312.373 2.631 20 30 DFEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)COC ZINC000595646455 399018808 /nfs/dbraw/zinc/01/88/08/399018808.db2.gz JXKBUVTXMJJCHS-ZDUSSCGKSA-N 1 2 312.373 2.631 20 30 DFEDLO Cc1noc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608637 399028020 /nfs/dbraw/zinc/02/80/20/399028020.db2.gz YLARYSHDYVASDZ-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO Cc1noc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608637 399028026 /nfs/dbraw/zinc/02/80/26/399028026.db2.gz YLARYSHDYVASDZ-BFQNTYOBSA-N 1 2 312.373 2.773 20 30 DFEDLO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000595693141 399037898 /nfs/dbraw/zinc/03/78/98/399037898.db2.gz SAYCXWJSXZEYCP-QEJZJMRPSA-N 1 2 301.365 2.603 20 30 DFEDLO N#Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1C(F)(F)F ZINC000092055734 193150080 /nfs/dbraw/zinc/15/00/80/193150080.db2.gz REAIWZBEZNPOBE-UHFFFAOYSA-N 1 2 309.251 2.622 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 ZINC000605729683 399040680 /nfs/dbraw/zinc/04/06/80/399040680.db2.gz FOQQDTPZVDRWHI-MRXNPFEDSA-N 1 2 316.445 2.737 20 30 DFEDLO C=CCOCCCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000079431857 399043663 /nfs/dbraw/zinc/04/36/63/399043663.db2.gz OFLSRJPJPVQBBG-UHFFFAOYSA-N 1 2 307.781 2.587 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1Cl ZINC000595702254 399044154 /nfs/dbraw/zinc/04/41/54/399044154.db2.gz WOHJJDRDZCHZCH-BXUZGUMPSA-N 1 2 321.808 2.959 20 30 DFEDLO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1Cl ZINC000595702259 399044664 /nfs/dbraw/zinc/04/46/64/399044664.db2.gz WOHJJDRDZCHZCH-SMDDNHRTSA-N 1 2 321.808 2.959 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595698471 399041510 /nfs/dbraw/zinc/04/15/10/399041510.db2.gz JBRCNQLLYDSQOM-SLEUVZQESA-N 1 2 316.361 2.594 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595704913 399047746 /nfs/dbraw/zinc/04/77/46/399047746.db2.gz SCHOGSLXGFITDA-WBVHZDCISA-N 1 2 303.381 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595704913 399047750 /nfs/dbraw/zinc/04/77/50/399047750.db2.gz SCHOGSLXGFITDA-WBVHZDCISA-N 1 2 303.381 2.627 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000595705402 399047865 /nfs/dbraw/zinc/04/78/65/399047865.db2.gz VODSKCQEZVCYSO-HIFRSBDPSA-N 1 2 315.421 2.609 20 30 DFEDLO CCC[C@H](C(=O)OCC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677682 399059002 /nfs/dbraw/zinc/05/90/02/399059002.db2.gz BVSXOPDVWGGWIK-QGZVFWFLSA-N 1 2 300.402 2.843 20 30 DFEDLO CCC[C@H](C(=O)OCC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677682 399059009 /nfs/dbraw/zinc/05/90/09/399059009.db2.gz BVSXOPDVWGGWIK-QGZVFWFLSA-N 1 2 300.402 2.843 20 30 DFEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000282709975 334997840 /nfs/dbraw/zinc/99/78/40/334997840.db2.gz AMOWQRGMVYLAFW-NSHDSACASA-N 1 2 305.407 2.591 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)CC2 ZINC000599710600 399072629 /nfs/dbraw/zinc/07/26/29/399072629.db2.gz JRTSNWMVAWZEEQ-SJORKVTESA-N 1 2 322.412 2.915 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccccc1F)C1(C#N)CCCCC1 ZINC000058016107 399074448 /nfs/dbraw/zinc/07/44/48/399074448.db2.gz MSXHUKBNZMJGNF-UHFFFAOYSA-N 1 2 317.408 2.942 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1F)C1(C#N)CCCCC1 ZINC000058016107 399074452 /nfs/dbraw/zinc/07/44/52/399074452.db2.gz MSXHUKBNZMJGNF-UHFFFAOYSA-N 1 2 317.408 2.942 20 30 DFEDLO Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)oc1C ZINC000595774048 399080082 /nfs/dbraw/zinc/08/00/82/399080082.db2.gz NETZPRSRMOWKOB-UHFFFAOYSA-N 1 2 311.385 2.959 20 30 DFEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000600594852 399091495 /nfs/dbraw/zinc/09/14/95/399091495.db2.gz IFTQTBVPRFBMCY-XIRDDKMYSA-N 1 2 318.392 2.972 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCCCC1 ZINC000058818800 399097028 /nfs/dbraw/zinc/09/70/28/399097028.db2.gz DKVMRTAMSYJQGJ-UHFFFAOYSA-N 1 2 310.401 2.941 20 30 DFEDLO C[C@]1(C#N)CC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833081 399104155 /nfs/dbraw/zinc/10/41/55/399104155.db2.gz FNXPCFVDTXIFKQ-IEBWSBKVSA-N 1 2 311.429 2.976 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCS(=O)(=O)C1 ZINC000284203701 335010651 /nfs/dbraw/zinc/01/06/51/335010651.db2.gz SNTIJJWXIJSOIN-CQSZACIVSA-N 1 2 311.422 2.639 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCCS(=O)(=O)C1 ZINC000284203701 335010653 /nfs/dbraw/zinc/01/06/53/335010653.db2.gz SNTIJJWXIJSOIN-CQSZACIVSA-N 1 2 311.422 2.639 20 30 DFEDLO C[C@]1(C#N)CC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000595833081 399104161 /nfs/dbraw/zinc/10/41/61/399104161.db2.gz FNXPCFVDTXIFKQ-IEBWSBKVSA-N 1 2 311.429 2.976 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000595834593 399105810 /nfs/dbraw/zinc/10/58/10/399105810.db2.gz MWWYCQJKYRMFPO-DCGLDWPTSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000595834593 399105812 /nfs/dbraw/zinc/10/58/12/399105812.db2.gz MWWYCQJKYRMFPO-DCGLDWPTSA-N 1 2 303.381 2.627 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835309 399105878 /nfs/dbraw/zinc/10/58/78/399105878.db2.gz QHSNSQHSLANGLM-RDJZCZTQSA-N 1 2 301.390 2.648 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835309 399105880 /nfs/dbraw/zinc/10/58/80/399105880.db2.gz QHSNSQHSLANGLM-RDJZCZTQSA-N 1 2 301.390 2.648 20 30 DFEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000599876709 399108586 /nfs/dbraw/zinc/10/85/86/399108586.db2.gz LUUWZQAPQOOAJZ-OAHLLOKOSA-N 1 2 317.820 2.724 20 30 DFEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000599876709 399108590 /nfs/dbraw/zinc/10/85/90/399108590.db2.gz LUUWZQAPQOOAJZ-OAHLLOKOSA-N 1 2 317.820 2.724 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000595842631 399109126 /nfs/dbraw/zinc/10/91/26/399109126.db2.gz GHJHWNLFUCKGRS-HNNXBMFYSA-N 1 2 301.781 2.656 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000595842631 399109130 /nfs/dbraw/zinc/10/91/30/399109130.db2.gz GHJHWNLFUCKGRS-HNNXBMFYSA-N 1 2 301.781 2.656 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093413574 193246222 /nfs/dbraw/zinc/24/62/22/193246222.db2.gz COAHZWNZQKMGBC-CQSZACIVSA-N 1 2 312.442 2.894 20 30 DFEDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093413574 193246223 /nfs/dbraw/zinc/24/62/23/193246223.db2.gz COAHZWNZQKMGBC-CQSZACIVSA-N 1 2 312.442 2.894 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)o1 ZINC000093512660 193262417 /nfs/dbraw/zinc/26/24/17/193262417.db2.gz OVXIEFZZLYNIJL-UHFFFAOYSA-N 1 2 316.792 2.517 20 30 DFEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc2ccc(C#N)cn12 ZINC000093707185 193296889 /nfs/dbraw/zinc/29/68/89/193296889.db2.gz LCXMOIAITPSNKT-UHFFFAOYSA-N 1 2 324.384 2.756 20 30 DFEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc2ccc(C#N)cn12 ZINC000093707185 193296890 /nfs/dbraw/zinc/29/68/90/193296890.db2.gz LCXMOIAITPSNKT-UHFFFAOYSA-N 1 2 324.384 2.756 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000595890558 399125820 /nfs/dbraw/zinc/12/58/20/399125820.db2.gz MWXTYNJXQKXPPF-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000595890558 399125824 /nfs/dbraw/zinc/12/58/24/399125824.db2.gz MWXTYNJXQKXPPF-CQSZACIVSA-N 1 2 314.307 2.590 20 30 DFEDLO N#CC1(c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC000180540944 399134302 /nfs/dbraw/zinc/13/43/02/399134302.db2.gz VYJWQHSPQUIVGA-UHFFFAOYSA-N 1 2 316.364 2.819 20 30 DFEDLO C[C@]1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCS1 ZINC000600106054 399135798 /nfs/dbraw/zinc/13/57/98/399135798.db2.gz HMOICOBDUYXYSP-QZTJIDSGSA-N 1 2 315.486 2.982 20 30 DFEDLO C[C@]1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCS1 ZINC000600106054 399135800 /nfs/dbraw/zinc/13/58/00/399135800.db2.gz HMOICOBDUYXYSP-QZTJIDSGSA-N 1 2 315.486 2.982 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595920969 399138329 /nfs/dbraw/zinc/13/83/29/399138329.db2.gz VQNSDRXVPKYFPQ-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595920969 399138333 /nfs/dbraw/zinc/13/83/33/399138333.db2.gz VQNSDRXVPKYFPQ-ZBEGNZNMSA-N 1 2 310.344 2.811 20 30 DFEDLO C=C[C@](C)(O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614053155 399141767 /nfs/dbraw/zinc/14/17/67/399141767.db2.gz BJBLVWLMZQOPSN-SFHVURJKSA-N 1 2 311.385 2.762 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1N(c2nc(C#N)c(Cl)s2)CC1(C)C ZINC000596002865 399145842 /nfs/dbraw/zinc/14/58/42/399145842.db2.gz KRQXUHDNNQDJDF-VIFPVBQESA-N 1 2 307.810 2.989 20 30 DFEDLO C=C(Cl)C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000061040485 399148593 /nfs/dbraw/zinc/14/85/93/399148593.db2.gz XBVJDFYIIKCMOO-UHFFFAOYSA-N 1 2 317.838 2.543 20 30 DFEDLO C=C(Cl)C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000061040485 399148595 /nfs/dbraw/zinc/14/85/95/399148595.db2.gz XBVJDFYIIKCMOO-UHFFFAOYSA-N 1 2 317.838 2.543 20 30 DFEDLO O=C(c1ccccc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191903773 335017085 /nfs/dbraw/zinc/01/70/85/335017085.db2.gz UNGRTWOTSZLLBF-UHFFFAOYSA-N 1 2 318.420 2.886 20 30 DFEDLO O=C(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191903773 335017088 /nfs/dbraw/zinc/01/70/88/335017088.db2.gz UNGRTWOTSZLLBF-UHFFFAOYSA-N 1 2 318.420 2.886 20 30 DFEDLO C[C@H](c1cccc(O)c1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000596146583 399189885 /nfs/dbraw/zinc/18/98/85/399189885.db2.gz DQVBQENVFMUHPN-GFCCVEGCSA-N 1 2 322.372 2.643 20 30 DFEDLO COc1ccc(OC)c2c1C[N@H+](CC#Cc1ccccc1)C[C@H]2O ZINC000191940381 335018209 /nfs/dbraw/zinc/01/82/09/335018209.db2.gz CIMNZDLEBQLUCO-QGZVFWFLSA-N 1 2 323.392 2.605 20 30 DFEDLO COc1ccc(OC)c2c1C[N@@H+](CC#Cc1ccccc1)C[C@H]2O ZINC000191940381 335018210 /nfs/dbraw/zinc/01/82/10/335018210.db2.gz CIMNZDLEBQLUCO-QGZVFWFLSA-N 1 2 323.392 2.605 20 30 DFEDLO Cc1ccccc1C(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000051352707 425883170 /nfs/dbraw/zinc/88/31/70/425883170.db2.gz IBSIRYBSENOCGJ-MRXNPFEDSA-N 1 2 324.428 2.633 20 30 DFEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000017843457 182086759 /nfs/dbraw/zinc/08/67/59/182086759.db2.gz WXPFYSAFUXMEAC-UHFFFAOYSA-N 1 2 323.396 2.726 20 30 DFEDLO COCCN(C)c1ccc(CNc2cc(F)cc(C#N)c2)c[nH+]1 ZINC000601063484 399215219 /nfs/dbraw/zinc/21/52/19/399215219.db2.gz CCGJDJXPZXRTAS-UHFFFAOYSA-N 1 2 314.364 2.787 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000064249108 399217974 /nfs/dbraw/zinc/21/79/74/399217974.db2.gz YTRARWJGUKYUCD-OAHLLOKOSA-N 1 2 317.433 2.573 20 30 DFEDLO CCCOc1cccc(CNC(=O)C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000064249108 399217977 /nfs/dbraw/zinc/21/79/77/399217977.db2.gz YTRARWJGUKYUCD-OAHLLOKOSA-N 1 2 317.433 2.573 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614401969 399226282 /nfs/dbraw/zinc/22/62/82/399226282.db2.gz FOKGRRVEPUHABD-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2C)n1 ZINC000614401969 399226286 /nfs/dbraw/zinc/22/62/86/399226286.db2.gz FOKGRRVEPUHABD-ZDUSSCGKSA-N 1 2 314.389 2.979 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000614407640 399227706 /nfs/dbraw/zinc/22/77/06/399227706.db2.gz UIRVZMBQGKPXKD-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000614407640 399227709 /nfs/dbraw/zinc/22/77/09/399227709.db2.gz UIRVZMBQGKPXKD-UHFFFAOYSA-N 1 2 308.341 2.728 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccn1 ZINC000618758466 399231101 /nfs/dbraw/zinc/23/11/01/399231101.db2.gz ZEUVRPGDKXEALF-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccn1 ZINC000618758466 399231106 /nfs/dbraw/zinc/23/11/06/399231106.db2.gz ZEUVRPGDKXEALF-OAHLLOKOSA-N 1 2 312.348 2.531 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000064797341 399232847 /nfs/dbraw/zinc/23/28/47/399232847.db2.gz VPRWGYGYSLJIKQ-ZBFHGGJFSA-N 1 2 304.434 2.815 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000064797341 399232848 /nfs/dbraw/zinc/23/28/48/399232848.db2.gz VPRWGYGYSLJIKQ-ZBFHGGJFSA-N 1 2 304.434 2.815 20 30 DFEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2[nH+]ccn2c1 ZINC000618787081 399236036 /nfs/dbraw/zinc/23/60/36/399236036.db2.gz DJYDKFCTVHCRAK-MRXNPFEDSA-N 1 2 302.337 2.623 20 30 DFEDLO N#Cc1nccnc1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601187292 399250615 /nfs/dbraw/zinc/25/06/15/399250615.db2.gz QPXKYPDATYIUCH-UHFFFAOYSA-N 1 2 318.384 2.684 20 30 DFEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1 ZINC000285894528 335027627 /nfs/dbraw/zinc/02/76/27/335027627.db2.gz ZKCZBFNTKIDQKW-UHFFFAOYSA-N 1 2 324.449 2.768 20 30 DFEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1 ZINC000285894528 335027628 /nfs/dbraw/zinc/02/76/28/335027628.db2.gz ZKCZBFNTKIDQKW-UHFFFAOYSA-N 1 2 324.449 2.768 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1Cl ZINC000614616399 399253358 /nfs/dbraw/zinc/25/33/58/399253358.db2.gz NNNWNJIZKLKDSX-UHFFFAOYSA-N 1 2 313.744 2.510 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000614618273 399253418 /nfs/dbraw/zinc/25/34/18/399253418.db2.gz UQPBUNDUQNHNMN-AWEZNQCLSA-N 1 2 314.776 2.885 20 30 DFEDLO Cn1c[nH+]c2c1CCN(C(=O)Nc1ccc(C#N)cc1Cl)C2 ZINC000614690536 399259333 /nfs/dbraw/zinc/25/93/33/399259333.db2.gz LOQDGRITALVSRX-UHFFFAOYSA-N 1 2 315.764 2.535 20 30 DFEDLO Cc1ncc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000601228750 399259810 /nfs/dbraw/zinc/25/98/10/399259810.db2.gz UQRWIVVGDLVMKV-VIFPVBQESA-N 1 2 313.390 2.678 20 30 DFEDLO C[C@@H](c1ccccc1OC(F)F)[NH+]1CCN(CCC#N)CC1 ZINC000601315123 399275837 /nfs/dbraw/zinc/27/58/37/399275837.db2.gz FGSHWTJKBSYJFA-ZDUSSCGKSA-N 1 2 309.360 2.880 20 30 DFEDLO CC1(C)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C#N ZINC000601532498 399297052 /nfs/dbraw/zinc/29/70/52/399297052.db2.gz CTIZNWRMNJHMRC-QGZVFWFLSA-N 1 2 322.412 2.956 20 30 DFEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(F)c1 ZINC000615092147 399300761 /nfs/dbraw/zinc/30/07/61/399300761.db2.gz CDJHDOMFIPDYMO-MRXNPFEDSA-N 1 2 303.312 2.709 20 30 DFEDLO N#CC1CCC(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601552113 399299173 /nfs/dbraw/zinc/29/91/73/399299173.db2.gz UUPXOLLQYCIONR-UHFFFAOYSA-N 1 2 322.412 2.861 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609145554 399306625 /nfs/dbraw/zinc/30/66/25/399306625.db2.gz IIDFRPSYUPIVDE-AWEZNQCLSA-N 1 2 321.380 2.952 20 30 DFEDLO C[C@H]1c2ccccc2OCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609145554 399306627 /nfs/dbraw/zinc/30/66/27/399306627.db2.gz IIDFRPSYUPIVDE-AWEZNQCLSA-N 1 2 321.380 2.952 20 30 DFEDLO Cc1noc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000609195304 399309063 /nfs/dbraw/zinc/30/90/63/399309063.db2.gz PZVOVIZPPKWMBG-LBPRGKRZSA-N 1 2 312.373 2.854 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCc1cc(F)ccc1F ZINC000609192993 399308203 /nfs/dbraw/zinc/30/82/03/399308203.db2.gz VLWDCOIXQSXCDN-UHFFFAOYSA-N 1 2 314.299 2.630 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000609484534 399319382 /nfs/dbraw/zinc/31/93/82/399319382.db2.gz CRUKVJNFSXFEFN-OAHLLOKOSA-N 1 2 314.458 2.962 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000609537848 399322123 /nfs/dbraw/zinc/32/21/23/399322123.db2.gz GHROCVZYOKDQSC-HNNXBMFYSA-N 1 2 323.387 2.954 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1C2CC3CC(C2)CC1C3 ZINC000609585228 399324473 /nfs/dbraw/zinc/32/44/73/399324473.db2.gz KIZDXQUJHFTHRI-UHFFFAOYSA-N 1 2 322.416 2.977 20 30 DFEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000609676550 399329652 /nfs/dbraw/zinc/32/96/52/399329652.db2.gz ODWSUZZWXHIWJB-PJQXDXOGSA-N 1 2 309.369 2.591 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCn3c(cc4ccccc43)C2)C1=O ZINC000286811391 335040010 /nfs/dbraw/zinc/04/00/10/335040010.db2.gz AGLLBGBAPNXSDZ-SFHVURJKSA-N 1 2 309.413 2.634 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCn3c(cc4ccccc43)C2)C1=O ZINC000286811391 335040012 /nfs/dbraw/zinc/04/00/12/335040012.db2.gz AGLLBGBAPNXSDZ-SFHVURJKSA-N 1 2 309.413 2.634 20 30 DFEDLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000610002267 399338191 /nfs/dbraw/zinc/33/81/91/399338191.db2.gz VEDXMHVKWOFFFT-TZMCWYRMSA-N 1 2 319.405 2.596 20 30 DFEDLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000610002267 399338194 /nfs/dbraw/zinc/33/81/94/399338194.db2.gz VEDXMHVKWOFFFT-TZMCWYRMSA-N 1 2 319.405 2.596 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004482 399338438 /nfs/dbraw/zinc/33/84/38/399338438.db2.gz MEXYFZWAGIKKDG-ACJLOTCBSA-N 1 2 317.408 2.799 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004482 399338441 /nfs/dbraw/zinc/33/84/41/399338441.db2.gz MEXYFZWAGIKKDG-ACJLOTCBSA-N 1 2 317.408 2.799 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)C1CC1 ZINC000274043338 211302044 /nfs/dbraw/zinc/30/20/44/211302044.db2.gz FNMQWUWHDLHUBL-UHFFFAOYSA-N 1 2 306.793 2.693 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)C1CC1 ZINC000274043338 211302049 /nfs/dbraw/zinc/30/20/49/211302049.db2.gz FNMQWUWHDLHUBL-UHFFFAOYSA-N 1 2 306.793 2.693 20 30 DFEDLO CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C#N ZINC000601808796 399340357 /nfs/dbraw/zinc/34/03/57/399340357.db2.gz XHTZTIBRTAJKHF-RDJZCZTQSA-N 1 2 308.385 2.565 20 30 DFEDLO N#Cc1ncccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000274012263 211271983 /nfs/dbraw/zinc/27/19/83/211271983.db2.gz KZOGEMZKLZNCLF-OAHLLOKOSA-N 1 2 314.414 2.500 20 30 DFEDLO C#CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000274010717 211267769 /nfs/dbraw/zinc/26/77/69/211267769.db2.gz NQBLYCSEZHPXBS-NSHDSACASA-N 1 2 304.394 2.754 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)CC(C)C ZINC000619433908 399345617 /nfs/dbraw/zinc/34/56/17/399345617.db2.gz NLCFCZSFFPBSIU-NSHDSACASA-N 1 2 320.343 2.677 20 30 DFEDLO C[C@@]1(c2ccccc2)C[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280386 399353254 /nfs/dbraw/zinc/35/32/54/399353254.db2.gz ODGPTRSCZPLTFT-YJBOKZPZSA-N 1 2 318.384 2.882 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1Cc1ccccc1 ZINC000610279886 399353397 /nfs/dbraw/zinc/35/33/97/399353397.db2.gz FVSNNVVTSZMMGS-ZBFHGGJFSA-N 1 2 318.384 2.783 20 30 DFEDLO CCSCC[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610285074 399353898 /nfs/dbraw/zinc/35/38/98/399353898.db2.gz QEGYAUDJDAZDBV-LLVKDONJSA-N 1 2 304.423 2.684 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OC)c1 ZINC000601942413 399364585 /nfs/dbraw/zinc/36/45/85/399364585.db2.gz RMQOPXUIXDJFSL-HNNXBMFYSA-N 1 2 304.390 2.829 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601969524 399371305 /nfs/dbraw/zinc/37/13/05/399371305.db2.gz USGWQFGZIPTNSS-BXUZGUMPSA-N 1 2 311.307 2.772 20 30 DFEDLO CCS[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610489343 399372003 /nfs/dbraw/zinc/37/20/03/399372003.db2.gz JGPLFJICLKDOPY-CHWSQXEVSA-N 1 2 316.434 2.826 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCC1CCC(F)(F)CC1 ZINC000619704761 399380873 /nfs/dbraw/zinc/38/08/73/399380873.db2.gz KGUXJQMMHXIWMC-UHFFFAOYSA-N 1 2 320.347 2.977 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccc(Br)cc1 ZINC000619717872 399381529 /nfs/dbraw/zinc/38/15/29/399381529.db2.gz SPPXFTRVDFKECJ-ZDUSSCGKSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000619717872 399381532 /nfs/dbraw/zinc/38/15/32/399381532.db2.gz SPPXFTRVDFKECJ-ZDUSSCGKSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000619720539 399382232 /nfs/dbraw/zinc/38/22/32/399382232.db2.gz PIYLLLIUZUYREF-KRWDZBQOSA-N 1 2 303.402 2.677 20 30 DFEDLO Cn1cc(C[NH2+]Cc2cccc(F)c2C#N)c(C(F)(F)F)n1 ZINC000602010539 399383102 /nfs/dbraw/zinc/38/31/02/399383102.db2.gz FBXLXSOAAZSJTB-UHFFFAOYSA-N 1 2 312.270 2.739 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000602026671 399387300 /nfs/dbraw/zinc/38/73/00/399387300.db2.gz BLGCFBDTKQMLOQ-ZDUSSCGKSA-N 1 2 312.270 2.787 20 30 DFEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000602029847 399388047 /nfs/dbraw/zinc/38/80/47/399388047.db2.gz JOVQUSOTLJLVDS-SFHVURJKSA-N 1 2 321.380 2.780 20 30 DFEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000602029847 399388050 /nfs/dbraw/zinc/38/80/50/399388050.db2.gz JOVQUSOTLJLVDS-SFHVURJKSA-N 1 2 321.380 2.780 20 30 DFEDLO Cc1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c(C)c[nH+]1 ZINC000619790315 399392308 /nfs/dbraw/zinc/39/23/08/399392308.db2.gz STQUQVAZAYTLSR-UHFFFAOYSA-N 1 2 314.776 2.967 20 30 DFEDLO N#Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccn1 ZINC000285495959 218472533 /nfs/dbraw/zinc/47/25/33/218472533.db2.gz FADVAQPUMCEBJV-OAHLLOKOSA-N 1 2 314.414 2.500 20 30 DFEDLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH+]1 ZINC000602103801 399394966 /nfs/dbraw/zinc/39/49/66/399394966.db2.gz CTAKKESDIXXQNJ-IRXDYDNUSA-N 1 2 322.412 2.813 20 30 DFEDLO CCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000610728517 399398868 /nfs/dbraw/zinc/39/88/68/399398868.db2.gz LMPHIBRVXFZWJW-UHFFFAOYSA-N 1 2 303.381 2.578 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(C#N)o1 ZINC000340983843 269690555 /nfs/dbraw/zinc/69/05/55/269690555.db2.gz ZHXZPOCYXMUTHF-UHFFFAOYSA-N 1 2 320.352 2.668 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602166632 399403729 /nfs/dbraw/zinc/40/37/29/399403729.db2.gz XSILUWIXANTXGC-OAGGEKHMSA-N 1 2 306.369 2.579 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602166632 399403730 /nfs/dbraw/zinc/40/37/30/399403730.db2.gz XSILUWIXANTXGC-OAGGEKHMSA-N 1 2 306.369 2.579 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602177498 399405890 /nfs/dbraw/zinc/40/58/90/399405890.db2.gz AMJAAEISVVDQJA-QJPTWQEYSA-N 1 2 314.311 2.575 20 30 DFEDLO COc1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)c(C)c1 ZINC000610807638 399408006 /nfs/dbraw/zinc/40/80/06/399408006.db2.gz CBGJTWFKMHDSLS-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO N#CC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCCCC1 ZINC000602182067 399406566 /nfs/dbraw/zinc/40/65/66/399406566.db2.gz HWKHPEQJJHWZBI-UHFFFAOYSA-N 1 2 324.384 2.782 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)CCOC(C)(C)C)c(C#N)c1C ZINC000610859882 399413135 /nfs/dbraw/zinc/41/31/35/399413135.db2.gz SGKXWTLJLUUPCS-UHFFFAOYSA-N 1 2 323.462 2.922 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOC(C)(C)C)c(C#N)c1C ZINC000610859882 399413137 /nfs/dbraw/zinc/41/31/37/399413137.db2.gz SGKXWTLJLUUPCS-UHFFFAOYSA-N 1 2 323.462 2.922 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000602261468 399416044 /nfs/dbraw/zinc/41/60/44/399416044.db2.gz HMHXWUTTWUPDON-RHSMWYFYSA-N 1 2 323.400 2.690 20 30 DFEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C(F)(F)F ZINC000602331921 399425713 /nfs/dbraw/zinc/42/57/13/399425713.db2.gz IKTSULUIHJYIQY-AWEZNQCLSA-N 1 2 313.323 2.588 20 30 DFEDLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000269001549 207158353 /nfs/dbraw/zinc/15/83/53/207158353.db2.gz ZUZMCPWQLKRFSM-CQSZACIVSA-N 1 2 311.389 2.547 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1OCC ZINC000611174218 399441103 /nfs/dbraw/zinc/44/11/03/399441103.db2.gz YDQWFOVTMFGXNE-UHFFFAOYSA-N 1 2 317.433 2.515 20 30 DFEDLO Cc1ccc(-c2cnc(C[NH+]3CCN(CCC#N)CC3)o2)cc1 ZINC000611175015 399441552 /nfs/dbraw/zinc/44/15/52/399441552.db2.gz VGVSAMJEQWWYCX-UHFFFAOYSA-N 1 2 310.401 2.681 20 30 DFEDLO N#CCCN1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000611175520 399441625 /nfs/dbraw/zinc/44/16/25/399441625.db2.gz DYLXJCTXQJHVPE-UHFFFAOYSA-N 1 2 314.252 2.542 20 30 DFEDLO N#C[C@H]1C[N@H+](CC2CCSCC2)CCN1Cc1ccccc1 ZINC000602428712 399441676 /nfs/dbraw/zinc/44/16/76/399441676.db2.gz QRUWIPQYUPQOFW-SFHVURJKSA-N 1 2 315.486 2.840 20 30 DFEDLO N#C[C@H]1C[N@@H+](CC2CCSCC2)CCN1Cc1ccccc1 ZINC000602428712 399441677 /nfs/dbraw/zinc/44/16/77/399441677.db2.gz QRUWIPQYUPQOFW-SFHVURJKSA-N 1 2 315.486 2.840 20 30 DFEDLO Cc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)sn1 ZINC000602443893 399446082 /nfs/dbraw/zinc/44/60/82/399446082.db2.gz AKOIYJOJQVSDTM-UHFFFAOYSA-N 1 2 316.405 2.785 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000611492401 399481970 /nfs/dbraw/zinc/48/19/70/399481970.db2.gz BPYVZTYLWSQVLH-RNCFNFMXSA-N 1 2 312.200 2.990 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501424 399483212 /nfs/dbraw/zinc/48/32/12/399483212.db2.gz BVABWLQFKYAQFI-OWQJAQGESA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501424 399483214 /nfs/dbraw/zinc/48/32/14/399483214.db2.gz BVABWLQFKYAQFI-OWQJAQGESA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1F ZINC000611502355 399483323 /nfs/dbraw/zinc/48/33/23/399483323.db2.gz ROTCWXNYEXLIHD-RISCZKNCSA-N 1 2 300.337 2.788 20 30 DFEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1F ZINC000611502355 399483324 /nfs/dbraw/zinc/48/33/24/399483324.db2.gz ROTCWXNYEXLIHD-RISCZKNCSA-N 1 2 300.337 2.788 20 30 DFEDLO Cc1cccc2c1ncc(C#N)c2NCCCCn1cc[nH+]c1 ZINC000611509823 399485103 /nfs/dbraw/zinc/48/51/03/399485103.db2.gz VMZAVNMKUILIPV-UHFFFAOYSA-N 1 2 305.385 2.926 20 30 DFEDLO C=CCN(CCc1ccco1)c1[nH+]cnc2c1cnn2CCC#N ZINC000611510313 399485129 /nfs/dbraw/zinc/48/51/29/399485129.db2.gz XNKQGVWFYXOIIS-UHFFFAOYSA-N 1 2 322.372 2.568 20 30 DFEDLO C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000611516981 399486328 /nfs/dbraw/zinc/48/63/28/399486328.db2.gz PNNUZXVLERHAHJ-XYPHTWIQSA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000611516981 399486331 /nfs/dbraw/zinc/48/63/31/399486331.db2.gz PNNUZXVLERHAHJ-XYPHTWIQSA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=CCC1 ZINC000611517535 399486368 /nfs/dbraw/zinc/48/63/68/399486368.db2.gz MOZWIWPJNLJADW-LLVKDONJSA-N 1 2 301.415 2.697 20 30 DFEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=CCC1 ZINC000611517535 399486371 /nfs/dbraw/zinc/48/63/71/399486371.db2.gz MOZWIWPJNLJADW-LLVKDONJSA-N 1 2 301.415 2.697 20 30 DFEDLO COc1nsc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1Br ZINC000602606571 399488946 /nfs/dbraw/zinc/48/89/46/399488946.db2.gz AZJUHMRTDXCQTP-HTQZYQBOSA-N 1 2 316.224 2.696 20 30 DFEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000611552413 399490620 /nfs/dbraw/zinc/49/06/20/399490620.db2.gz YDTPOHBRMRKWHO-CQSZACIVSA-N 1 2 315.314 2.960 20 30 DFEDLO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](COC)C(=O)OCC ZINC000616799209 399514519 /nfs/dbraw/zinc/51/45/19/399514519.db2.gz QDQXKCAGGFXVRO-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](COC)C(=O)OCC ZINC000616799209 399514523 /nfs/dbraw/zinc/51/45/23/399514523.db2.gz QDQXKCAGGFXVRO-KRWDZBQOSA-N 1 2 318.417 2.657 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000120084787 195093794 /nfs/dbraw/zinc/09/37/94/195093794.db2.gz WRXUIZSYOBERTB-ZNMIVQPWSA-N 1 2 319.474 2.693 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000120084787 195093796 /nfs/dbraw/zinc/09/37/96/195093796.db2.gz WRXUIZSYOBERTB-ZNMIVQPWSA-N 1 2 319.474 2.693 20 30 DFEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624062999 399539985 /nfs/dbraw/zinc/53/99/85/399539985.db2.gz DHZQHLYWQWZEIC-WMLDXEAASA-N 1 2 323.458 2.818 20 30 DFEDLO C=CCC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624062999 399539989 /nfs/dbraw/zinc/53/99/89/399539989.db2.gz DHZQHLYWQWZEIC-WMLDXEAASA-N 1 2 323.458 2.818 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000120230010 195124681 /nfs/dbraw/zinc/12/46/81/195124681.db2.gz SBUCOQZPGXEZOG-GOEBONIOSA-N 1 2 315.417 2.632 20 30 DFEDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000120230010 195124683 /nfs/dbraw/zinc/12/46/83/195124683.db2.gz SBUCOQZPGXEZOG-GOEBONIOSA-N 1 2 315.417 2.632 20 30 DFEDLO CSc1ccccc1NC(=O)C[N@H+](C)CC1(CC#N)CC1 ZINC000602762531 399559500 /nfs/dbraw/zinc/55/95/00/399559500.db2.gz MGNVJOHCKZPAEK-UHFFFAOYSA-N 1 2 303.431 2.973 20 30 DFEDLO CSc1ccccc1NC(=O)C[N@@H+](C)CC1(CC#N)CC1 ZINC000602762531 399559504 /nfs/dbraw/zinc/55/95/04/399559504.db2.gz MGNVJOHCKZPAEK-UHFFFAOYSA-N 1 2 303.431 2.973 20 30 DFEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602784890 399571556 /nfs/dbraw/zinc/57/15/56/399571556.db2.gz SDYMCVJEZCAHGI-ZDUSSCGKSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602784890 399571565 /nfs/dbraw/zinc/57/15/65/399571565.db2.gz SDYMCVJEZCAHGI-ZDUSSCGKSA-N 1 2 306.410 2.929 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000157890599 197224592 /nfs/dbraw/zinc/22/45/92/197224592.db2.gz YYOVPANBWHKOPO-UHFFFAOYSA-N 1 2 324.428 2.866 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612107662 399584405 /nfs/dbraw/zinc/58/44/05/399584405.db2.gz TUDXRXOJOIEQQT-INIZCTEOSA-N 1 2 307.388 2.673 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000156884703 197147212 /nfs/dbraw/zinc/14/72/12/197147212.db2.gz LADYGKGJRHJOTM-HUUCEWRRSA-N 1 2 309.360 2.585 20 30 DFEDLO C=C(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000156884703 197147213 /nfs/dbraw/zinc/14/72/13/197147213.db2.gz LADYGKGJRHJOTM-HUUCEWRRSA-N 1 2 309.360 2.585 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162823 399595650 /nfs/dbraw/zinc/59/56/50/399595650.db2.gz MXYKJPMRPSTOFM-LPHOPBHVSA-N 1 2 313.445 2.668 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162823 399595654 /nfs/dbraw/zinc/59/56/54/399595654.db2.gz MXYKJPMRPSTOFM-LPHOPBHVSA-N 1 2 313.445 2.668 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163081 399595704 /nfs/dbraw/zinc/59/57/04/399595704.db2.gz NXJCAPCQCOJNTG-GUYCJALGSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163081 399595708 /nfs/dbraw/zinc/59/57/08/399595708.db2.gz NXJCAPCQCOJNTG-GUYCJALGSA-N 1 2 317.458 2.647 20 30 DFEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000612157805 399594344 /nfs/dbraw/zinc/59/43/44/399594344.db2.gz DOTAMLNZOPKHMT-HNNXBMFYSA-N 1 2 302.403 2.574 20 30 DFEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000612157805 399594347 /nfs/dbraw/zinc/59/43/47/399594347.db2.gz DOTAMLNZOPKHMT-HNNXBMFYSA-N 1 2 302.403 2.574 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163144 399595782 /nfs/dbraw/zinc/59/57/82/399595782.db2.gz OSJLUIICIAOZLD-AAEZLKGMSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163144 399595785 /nfs/dbraw/zinc/59/57/85/399595785.db2.gz OSJLUIICIAOZLD-AAEZLKGMSA-N 1 2 305.466 2.941 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162763 399595791 /nfs/dbraw/zinc/59/57/91/399595791.db2.gz MFLRLJDWBAKOLV-PKOBYXMFSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000612162763 399595794 /nfs/dbraw/zinc/59/57/94/399595794.db2.gz MFLRLJDWBAKOLV-PKOBYXMFSA-N 1 2 322.412 2.679 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167042 399598469 /nfs/dbraw/zinc/59/84/69/399598469.db2.gz GHACKNXMVFEYLP-GOEBONIOSA-N 1 2 308.809 2.705 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000612167042 399598475 /nfs/dbraw/zinc/59/84/75/399598475.db2.gz GHACKNXMVFEYLP-GOEBONIOSA-N 1 2 308.809 2.705 20 30 DFEDLO COc1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1Cl ZINC000602854001 399603543 /nfs/dbraw/zinc/60/35/43/399603543.db2.gz NHZZLJSNRVXXCQ-CHWSQXEVSA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H](C)N1CC#N ZINC000602855905 399605203 /nfs/dbraw/zinc/60/52/03/399605203.db2.gz JJLHWSQDNPDMBH-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H](C)N1CC#N ZINC000602855905 399605208 /nfs/dbraw/zinc/60/52/08/399605208.db2.gz JJLHWSQDNPDMBH-BETUJISGSA-N 1 2 316.430 2.821 20 30 DFEDLO CCCCc1nc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602858202 399604972 /nfs/dbraw/zinc/60/49/72/399604972.db2.gz PZOFJFFKRHWSBS-KBPBESRZSA-N 1 2 306.479 2.904 20 30 DFEDLO C[C@@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000331894907 533177941 /nfs/dbraw/zinc/17/79/41/533177941.db2.gz HAIFMHSBQIAMEI-CQSZACIVSA-N 1 2 322.412 2.853 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000602865538 399609038 /nfs/dbraw/zinc/60/90/38/399609038.db2.gz WFZSUELPZFBFSF-VHSXEESVSA-N 1 2 315.295 2.804 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000602869462 399609827 /nfs/dbraw/zinc/60/98/27/399609827.db2.gz NZWMEGYYBYJOEV-LBPRGKRZSA-N 1 2 315.373 2.558 20 30 DFEDLO C=C(C)C[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053944731 542449496 /nfs/dbraw/zinc/44/94/96/542449496.db2.gz UNHQRCBAONAPHD-UHFFFAOYSA-N 1 2 302.462 2.923 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)(C)C ZINC000288743819 335055058 /nfs/dbraw/zinc/05/50/58/335055058.db2.gz XNDKHZGCBBTRRH-MRXNPFEDSA-N 1 2 310.401 2.719 20 30 DFEDLO CCc1nnc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602901943 399620945 /nfs/dbraw/zinc/62/09/45/399620945.db2.gz SBTSXOUVEYANAC-CYBMUJFWSA-N 1 2 324.432 2.876 20 30 DFEDLO CC(C)Cn1ncnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906983 399621977 /nfs/dbraw/zinc/62/19/77/399621977.db2.gz KEAFBZRCGRELKO-UHFFFAOYSA-N 1 2 324.432 2.580 20 30 DFEDLO N#Cc1csc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602907698 399622225 /nfs/dbraw/zinc/62/22/25/399622225.db2.gz RZROYDNXBOHQDH-UHFFFAOYSA-N 1 2 309.398 2.661 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193786934 335056074 /nfs/dbraw/zinc/05/60/74/335056074.db2.gz NKYIIIRRHVHSQF-CQSZACIVSA-N 1 2 313.850 2.824 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193786934 335056076 /nfs/dbraw/zinc/05/60/76/335056076.db2.gz NKYIIIRRHVHSQF-CQSZACIVSA-N 1 2 313.850 2.824 20 30 DFEDLO C[C@H]1COCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617214850 399631127 /nfs/dbraw/zinc/63/11/27/399631127.db2.gz ARVRXQPCIHGZPF-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@H]1COCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617214850 399631128 /nfs/dbraw/zinc/63/11/28/399631128.db2.gz ARVRXQPCIHGZPF-NSHDSACASA-N 1 2 309.207 2.932 20 30 DFEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000081731328 542498485 /nfs/dbraw/zinc/49/84/85/542498485.db2.gz QGZHNVPFQCQKSZ-LLVKDONJSA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000081731328 542498491 /nfs/dbraw/zinc/49/84/91/542498491.db2.gz QGZHNVPFQCQKSZ-LLVKDONJSA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731328 542498496 /nfs/dbraw/zinc/49/84/96/542498496.db2.gz QGZHNVPFQCQKSZ-LLVKDONJSA-N 1 2 321.331 2.822 20 30 DFEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731328 542498501 /nfs/dbraw/zinc/49/85/01/542498501.db2.gz QGZHNVPFQCQKSZ-LLVKDONJSA-N 1 2 321.331 2.822 20 30 DFEDLO C[C@@]1(C#N)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000612365811 399633668 /nfs/dbraw/zinc/63/36/68/399633668.db2.gz ZJENGWSOBATMCA-SFHVURJKSA-N 1 2 308.385 2.697 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C)(F)CC2)c(C#N)c1C ZINC000602993208 399652750 /nfs/dbraw/zinc/65/27/50/399652750.db2.gz UHQUIXJPNXOBFP-LLVKDONJSA-N 1 2 307.369 2.919 20 30 DFEDLO Cc1csc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C#N ZINC000603011873 399657944 /nfs/dbraw/zinc/65/79/44/399657944.db2.gz UVKSHTLKWXDIEB-GFCCVEGCSA-N 1 2 315.402 2.821 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977268 399645090 /nfs/dbraw/zinc/64/50/90/399645090.db2.gz ZYEOFGRUQHGGEK-FRFSOERESA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977268 399645093 /nfs/dbraw/zinc/64/50/93/399645093.db2.gz ZYEOFGRUQHGGEK-FRFSOERESA-N 1 2 317.408 2.969 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406683 399645063 /nfs/dbraw/zinc/64/50/63/399645063.db2.gz RFGBXEHMHZZTCF-KSSFIOAISA-N 1 2 316.401 2.753 20 30 DFEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406683 399645067 /nfs/dbraw/zinc/64/50/67/399645067.db2.gz RFGBXEHMHZZTCF-KSSFIOAISA-N 1 2 316.401 2.753 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602977176 399645331 /nfs/dbraw/zinc/64/53/31/399645331.db2.gz YVLCFUBOTIUFKJ-DZGCQCFKSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602977176 399645332 /nfs/dbraw/zinc/64/53/32/399645332.db2.gz YVLCFUBOTIUFKJ-DZGCQCFKSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602977179 399645972 /nfs/dbraw/zinc/64/59/72/399645972.db2.gz YVLCFUBOTIUFKJ-ZFWWWQNUSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602977179 399645978 /nfs/dbraw/zinc/64/59/78/399645978.db2.gz YVLCFUBOTIUFKJ-ZFWWWQNUSA-N 1 2 305.809 2.580 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977482 399647183 /nfs/dbraw/zinc/64/71/83/399647183.db2.gz BSHLMYOPHQJWFH-CHWSQXEVSA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977482 399647187 /nfs/dbraw/zinc/64/71/87/399647187.db2.gz BSHLMYOPHQJWFH-CHWSQXEVSA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977484 399647247 /nfs/dbraw/zinc/64/72/47/399647247.db2.gz BSHLMYOPHQJWFH-QWHCGFSZSA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977484 399647253 /nfs/dbraw/zinc/64/72/53/399647253.db2.gz BSHLMYOPHQJWFH-QWHCGFSZSA-N 1 2 319.371 2.657 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602980259 399647673 /nfs/dbraw/zinc/64/76/73/399647673.db2.gz OARLOTBKMIOIBO-NVXWUHKLSA-N 1 2 320.458 2.783 20 30 DFEDLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602980259 399647678 /nfs/dbraw/zinc/64/76/78/399647678.db2.gz OARLOTBKMIOIBO-NVXWUHKLSA-N 1 2 320.458 2.783 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624346561 399649580 /nfs/dbraw/zinc/64/95/80/399649580.db2.gz RMYFTARNPJJRHH-UHFFFAOYSA-N 1 2 312.417 2.571 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825304 542518472 /nfs/dbraw/zinc/51/84/72/542518472.db2.gz NWVBSYXKYCCIKK-ZDUSSCGKSA-N 1 2 318.446 2.506 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825304 542518475 /nfs/dbraw/zinc/51/84/75/542518475.db2.gz NWVBSYXKYCCIKK-ZDUSSCGKSA-N 1 2 318.446 2.506 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1ccc[nH+]c1N1CCCC1)OCC ZINC000617484916 399715042 /nfs/dbraw/zinc/71/50/42/399715042.db2.gz QKGLSAUNJGLUJJ-INIZCTEOSA-N 1 2 317.433 2.669 20 30 DFEDLO COc1cc[nH+]c(Cn2cc(CC3(C#N)CCCCC3)nn2)c1 ZINC000603220592 399714616 /nfs/dbraw/zinc/71/46/16/399714616.db2.gz VSRKZRXSZIRGGQ-UHFFFAOYSA-N 1 2 311.389 2.747 20 30 DFEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000617538318 399727497 /nfs/dbraw/zinc/72/74/97/399727497.db2.gz KEMHPZYJFIEOLO-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000617538318 399727503 /nfs/dbraw/zinc/72/75/03/399727503.db2.gz KEMHPZYJFIEOLO-UHFFFAOYSA-N 1 2 309.797 2.531 20 30 DFEDLO N#Cc1cnc(NCc2ccc(N3CCCCCC3)[nH+]c2)cn1 ZINC000121635516 195321092 /nfs/dbraw/zinc/32/10/92/195321092.db2.gz FKHLOXNUYVTDOJ-UHFFFAOYSA-N 1 2 308.389 2.736 20 30 DFEDLO COCc1cc(C#N)ccc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000603313540 399741201 /nfs/dbraw/zinc/74/12/01/399741201.db2.gz VIXMIWIKTFEGQG-KSSFIOAISA-N 1 2 310.401 2.989 20 30 DFEDLO CN(c1cccc(C#N)c1)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000603406808 399768320 /nfs/dbraw/zinc/76/83/20/399768320.db2.gz VUAZPPOSLSXPLR-QGZVFWFLSA-N 1 2 319.412 2.941 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000617779536 399797784 /nfs/dbraw/zinc/79/77/84/399797784.db2.gz CJCCQIMTGGHZRV-IKGGRYGDSA-N 1 2 308.466 2.691 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000617779536 399797790 /nfs/dbraw/zinc/79/77/90/399797790.db2.gz CJCCQIMTGGHZRV-IKGGRYGDSA-N 1 2 308.466 2.691 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)C1 ZINC000617779535 399797897 /nfs/dbraw/zinc/79/78/97/399797897.db2.gz CJCCQIMTGGHZRV-BRWVUGGUSA-N 1 2 308.466 2.691 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)C1 ZINC000617779535 399797902 /nfs/dbraw/zinc/79/79/02/399797902.db2.gz CJCCQIMTGGHZRV-BRWVUGGUSA-N 1 2 308.466 2.691 20 30 DFEDLO O=C(CCc1c[nH+]c[nH]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000188963073 542827836 /nfs/dbraw/zinc/82/78/36/542827836.db2.gz IZXRMWALLOPYBL-UHFFFAOYSA-N 1 2 321.302 2.529 20 30 DFEDLO O=C(CCc1c[nH]c[nH+]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000188963073 542827838 /nfs/dbraw/zinc/82/78/38/542827838.db2.gz IZXRMWALLOPYBL-UHFFFAOYSA-N 1 2 321.302 2.529 20 30 DFEDLO C[C@@H]1Cc2ccccc2CN1c1[nH+]cnc2c1cnn2CCC#N ZINC000613284354 399840120 /nfs/dbraw/zinc/84/01/20/399840120.db2.gz FRUIDLAMQCCUNW-CYBMUJFWSA-N 1 2 318.384 2.691 20 30 DFEDLO C=CC[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc(OC)cc1 ZINC000625098450 399845253 /nfs/dbraw/zinc/84/52/53/399845253.db2.gz IIZCAURTCCIRKT-UHFFFAOYSA-N 1 2 304.434 2.846 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc(OC)cc1 ZINC000625098450 399845257 /nfs/dbraw/zinc/84/52/57/399845257.db2.gz IIZCAURTCCIRKT-UHFFFAOYSA-N 1 2 304.434 2.846 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CC1(C)C)C2 ZINC000329225123 543101045 /nfs/dbraw/zinc/10/10/45/543101045.db2.gz CWICXVJJWDLJJA-NWDGAFQWSA-N 1 2 304.438 2.798 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CC1(C)C)C2 ZINC000329225123 543101048 /nfs/dbraw/zinc/10/10/48/543101048.db2.gz CWICXVJJWDLJJA-NWDGAFQWSA-N 1 2 304.438 2.798 20 30 DFEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329283151 543102140 /nfs/dbraw/zinc/10/21/40/543102140.db2.gz NHNRWTNSQQFUSL-GXTWGEPZSA-N 1 2 318.421 2.999 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC000329519901 543105408 /nfs/dbraw/zinc/10/54/08/543105408.db2.gz FGYIXFWAOJSQJX-LBPRGKRZSA-N 1 2 302.382 2.549 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC000329519901 543105411 /nfs/dbraw/zinc/10/54/11/543105411.db2.gz FGYIXFWAOJSQJX-LBPRGKRZSA-N 1 2 302.382 2.549 20 30 DFEDLO C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000633137165 399854611 /nfs/dbraw/zinc/85/46/11/399854611.db2.gz NXNCSRQUAXYAGR-OAHLLOKOSA-N 1 2 316.449 2.952 20 30 DFEDLO COc1ccc(C)cc1CNc1[nH+]cnc2c1cnn2CCC#N ZINC000604558130 399856532 /nfs/dbraw/zinc/85/65/32/399856532.db2.gz HYUYYXPUZUPTQB-UHFFFAOYSA-N 1 2 322.372 2.669 20 30 DFEDLO CN(Cc1[nH+]ccn1C)c1cccc(Br)c1C#N ZINC000168536267 145243544 /nfs/dbraw/zinc/24/35/44/145243544.db2.gz QZNORSADQSXKJX-UHFFFAOYSA-N 1 2 305.179 2.691 20 30 DFEDLO N#Cc1cnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171364831 145263570 /nfs/dbraw/zinc/26/35/70/145263570.db2.gz AFSHVGUQHMNMBP-LBPRGKRZSA-N 1 2 313.792 2.940 20 30 DFEDLO N#Cc1nnc2ccccc2c1NCc1ccn2cc[nH+]c2c1 ZINC000354392525 147020197 /nfs/dbraw/zinc/02/01/97/147020197.db2.gz PPQAGKWHKRLTQR-UHFFFAOYSA-N 1 2 300.325 2.761 20 30 DFEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)c1nc2c(s1)CCCC2 ZINC000527014056 543428984 /nfs/dbraw/zinc/42/89/84/543428984.db2.gz SRDWNSNKAWYCQG-UHFFFAOYSA-N 1 2 316.430 2.897 20 30 DFEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)c1nc2c(s1)CCCC2 ZINC000527014056 543428985 /nfs/dbraw/zinc/42/89/85/543428985.db2.gz SRDWNSNKAWYCQG-UHFFFAOYSA-N 1 2 316.430 2.897 20 30 DFEDLO N#Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1OC(F)(F)F ZINC000357717067 148094191 /nfs/dbraw/zinc/09/41/91/148094191.db2.gz UJNAKXIIIAULBV-UHFFFAOYSA-N 1 2 324.262 2.751 20 30 DFEDLO N#Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1OC(F)(F)F ZINC000357717067 148094194 /nfs/dbraw/zinc/09/41/94/148094194.db2.gz UJNAKXIIIAULBV-UHFFFAOYSA-N 1 2 324.262 2.751 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(CSc2ccc(C#N)cc2)n1 ZINC000357939882 148183924 /nfs/dbraw/zinc/18/39/24/148183924.db2.gz VRHXRXIGIGHHQM-UHFFFAOYSA-N 1 2 311.370 2.558 20 30 DFEDLO Cc1nc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000361028038 149012331 /nfs/dbraw/zinc/01/23/31/149012331.db2.gz BIGYKCFYIGKNKN-CQSZACIVSA-N 1 2 311.364 2.877 20 30 DFEDLO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nn1C ZINC000361322541 149083923 /nfs/dbraw/zinc/08/39/23/149083923.db2.gz WTBSZQDLFZCRGX-UHFFFAOYSA-N 1 2 310.401 2.644 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)c(F)c1 ZINC000361860571 149238922 /nfs/dbraw/zinc/23/89/22/149238922.db2.gz NOOKMLDZQYACCS-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)c(F)c1 ZINC000361860571 149238926 /nfs/dbraw/zinc/23/89/26/149238926.db2.gz NOOKMLDZQYACCS-ZDUSSCGKSA-N 1 2 311.360 2.746 20 30 DFEDLO COc1cccc([C@H](Nc2cc(C#N)ccn2)c2[nH+]ccn2C)c1 ZINC000367519254 149609577 /nfs/dbraw/zinc/60/95/77/149609577.db2.gz NBANWHOBCLQNNK-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C#N)nc2)[nH+]1 ZINC000371246310 150010092 /nfs/dbraw/zinc/01/00/92/150010092.db2.gz CHMTYPLWAGWOCV-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371298435 150018405 /nfs/dbraw/zinc/01/84/05/150018405.db2.gz VWPQPYRYWAIUJJ-MRXNPFEDSA-N 1 2 316.401 2.663 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371298435 150018407 /nfs/dbraw/zinc/01/84/07/150018407.db2.gz VWPQPYRYWAIUJJ-MRXNPFEDSA-N 1 2 316.401 2.663 20 30 DFEDLO N#Cc1ccc(NC(=O)C[NH+]2CC(Cc3ccccc3F)C2)cc1 ZINC000371349165 150027989 /nfs/dbraw/zinc/02/79/89/150027989.db2.gz GCJNOUSFPWMKOK-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCC[C@H]3c3nccs3)n2c1 ZINC000372434003 150173061 /nfs/dbraw/zinc/17/30/61/150173061.db2.gz UBYJEBAHKAIXRS-AWEZNQCLSA-N 1 2 309.398 3.000 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCC[C@@H]3c3nccs3)n2c1 ZINC000372434004 150173081 /nfs/dbraw/zinc/17/30/81/150173081.db2.gz UBYJEBAHKAIXRS-CQSZACIVSA-N 1 2 309.398 3.000 20 30 DFEDLO Cc1ccc([C@@H]2COCCN2Cc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000093459785 292222584 /nfs/dbraw/zinc/22/25/84/292222584.db2.gz IJMSLFOZXXKGFZ-INIZCTEOSA-N 1 2 322.368 2.681 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374026317 150294042 /nfs/dbraw/zinc/29/40/42/150294042.db2.gz JOMKVWPRDUYWLM-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374026317 150294045 /nfs/dbraw/zinc/29/40/45/150294045.db2.gz JOMKVWPRDUYWLM-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374026319 150294266 /nfs/dbraw/zinc/29/42/66/150294266.db2.gz JOMKVWPRDUYWLM-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374026319 150294268 /nfs/dbraw/zinc/29/42/68/150294268.db2.gz JOMKVWPRDUYWLM-LBTNJELSSA-N 1 2 318.392 2.856 20 30 DFEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1O ZINC000374211026 150323105 /nfs/dbraw/zinc/32/31/05/150323105.db2.gz MPXVBCTXLAHGGG-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1O ZINC000374211026 150323108 /nfs/dbraw/zinc/32/31/08/150323108.db2.gz MPXVBCTXLAHGGG-LJQANCHMSA-N 1 2 324.380 2.846 20 30 DFEDLO CCn1cc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000248701248 158196473 /nfs/dbraw/zinc/19/64/73/158196473.db2.gz FJNDLRCTQJTRMV-RDTXWAMCSA-N 1 2 310.401 2.909 20 30 DFEDLO CCn1cc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cn1 ZINC000248701248 158196474 /nfs/dbraw/zinc/19/64/74/158196474.db2.gz FJNDLRCTQJTRMV-RDTXWAMCSA-N 1 2 310.401 2.909 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4cnc(C#N)cn4)C3)[nH+]c2c1 ZINC000129447231 196049047 /nfs/dbraw/zinc/04/90/47/196049047.db2.gz LGEVKYBEJRZVEY-ZDUSSCGKSA-N 1 2 318.384 2.917 20 30 DFEDLO N#Cc1cnc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000296599502 226035052 /nfs/dbraw/zinc/03/50/52/226035052.db2.gz SPOCPXVNMVIOTI-UHFFFAOYSA-N 1 2 310.317 2.600 20 30 DFEDLO C=CCSc1ccccc1NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000677802640 544543533 /nfs/dbraw/zinc/54/35/33/544543533.db2.gz QJVTWCNJYJSBSX-UHFFFAOYSA-N 1 2 316.430 2.758 20 30 DFEDLO COCC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000677818365 544545518 /nfs/dbraw/zinc/54/55/18/544545518.db2.gz JZSZQBOUSSDHPH-INIZCTEOSA-N 1 2 311.385 2.913 20 30 DFEDLO COCC#CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000677818365 544545523 /nfs/dbraw/zinc/54/55/23/544545523.db2.gz JZSZQBOUSSDHPH-INIZCTEOSA-N 1 2 311.385 2.913 20 30 DFEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299479220 229142696 /nfs/dbraw/zinc/14/26/96/229142696.db2.gz CETDTFXZIWPESN-BBRMVZONSA-N 1 2 324.384 2.802 20 30 DFEDLO Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1C#N ZINC000302615089 230321617 /nfs/dbraw/zinc/32/16/17/230321617.db2.gz COAOLTAHTQFAGJ-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000057879630 425897385 /nfs/dbraw/zinc/89/73/85/425897385.db2.gz WJVZTLNCYZTJAT-SFHVURJKSA-N 1 2 317.408 2.875 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C#N)CC1 ZINC000057906946 425897217 /nfs/dbraw/zinc/89/72/17/425897217.db2.gz JQADQJTXHARCIC-NSHDSACASA-N 1 2 323.343 2.851 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)C1CC1 ZINC000492927346 269936014 /nfs/dbraw/zinc/93/60/14/269936014.db2.gz RPNOASMSRJTLEJ-RCMYXZNBSA-N 1 2 306.369 2.572 20 30 DFEDLO Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425219143 270000892 /nfs/dbraw/zinc/00/08/92/270000892.db2.gz GDBYCKCHUZAWGQ-CQSZACIVSA-N 1 2 314.433 2.639 20 30 DFEDLO Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000425230381 270000920 /nfs/dbraw/zinc/00/09/20/270000920.db2.gz SNATYJJROLHQPS-UHFFFAOYSA-N 1 2 301.390 2.820 20 30 DFEDLO Cc1nnc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000069168907 425932019 /nfs/dbraw/zinc/93/20/19/425932019.db2.gz KZMCIPCLGIZGCG-KRWDZBQOSA-N 1 2 303.369 2.864 20 30 DFEDLO N#Cc1cccc(NCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000156043034 425932648 /nfs/dbraw/zinc/93/26/48/425932648.db2.gz DUCBPQAOKPVKOR-UHFFFAOYSA-N 1 2 317.352 2.999 20 30 DFEDLO CCOc1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000156659703 425935593 /nfs/dbraw/zinc/93/55/93/425935593.db2.gz FQVUNWBZYYJVHT-INIZCTEOSA-N 1 2 318.417 2.593 20 30 DFEDLO CCOc1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156659703 425935597 /nfs/dbraw/zinc/93/55/97/425935597.db2.gz FQVUNWBZYYJVHT-INIZCTEOSA-N 1 2 318.417 2.593 20 30 DFEDLO O[C@H](C1CC[NH+](CC#Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000157186982 425936743 /nfs/dbraw/zinc/93/67/43/425936743.db2.gz VSFFZTPGTYXCKU-OAHLLOKOSA-N 1 2 315.310 2.812 20 30 DFEDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000345761940 265828032 /nfs/dbraw/zinc/82/80/32/265828032.db2.gz UGLQMHARVPYKJL-UHFFFAOYSA-N 1 2 317.408 2.776 20 30 DFEDLO CCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000348525821 266020220 /nfs/dbraw/zinc/02/02/20/266020220.db2.gz JXMNZZGZYRKGDX-UHFFFAOYSA-N 1 2 311.429 2.783 20 30 DFEDLO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000348819234 266148688 /nfs/dbraw/zinc/14/86/88/266148688.db2.gz VWXMACHPUDQSPX-UHFFFAOYSA-N 1 2 319.408 2.889 20 30 DFEDLO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1=O ZINC000348819234 266148694 /nfs/dbraw/zinc/14/86/94/266148694.db2.gz VWXMACHPUDQSPX-UHFFFAOYSA-N 1 2 319.408 2.889 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285795498 266167963 /nfs/dbraw/zinc/16/79/63/266167963.db2.gz ZTFMWHNASLBPDO-INIZCTEOSA-N 1 2 319.380 2.798 20 30 DFEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000285795498 266167965 /nfs/dbraw/zinc/16/79/65/266167965.db2.gz ZTFMWHNASLBPDO-INIZCTEOSA-N 1 2 319.380 2.798 20 30 DFEDLO CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347968854 266370239 /nfs/dbraw/zinc/37/02/39/266370239.db2.gz RDNXUPFTSJPYIN-CQSZACIVSA-N 1 2 314.414 2.782 20 30 DFEDLO CCC[N@H+](Cc1nc(CCOC)no1)Cc1ccc(C#N)cc1 ZINC000505819708 267016054 /nfs/dbraw/zinc/01/60/54/267016054.db2.gz GWOWNIHDRCMAPA-UHFFFAOYSA-N 1 2 314.389 2.542 20 30 DFEDLO CCC[N@@H+](Cc1nc(CCOC)no1)Cc1ccc(C#N)cc1 ZINC000505819708 267016057 /nfs/dbraw/zinc/01/60/57/267016057.db2.gz GWOWNIHDRCMAPA-UHFFFAOYSA-N 1 2 314.389 2.542 20 30 DFEDLO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(=O)OCC ZINC000411645774 267016497 /nfs/dbraw/zinc/01/64/97/267016497.db2.gz JGJYBQQBDIXKRF-CYBMUJFWSA-N 1 2 304.390 2.730 20 30 DFEDLO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(=O)OCC ZINC000411645774 267016499 /nfs/dbraw/zinc/01/64/99/267016499.db2.gz JGJYBQQBDIXKRF-CYBMUJFWSA-N 1 2 304.390 2.730 20 30 DFEDLO CCOC(=O)N(C)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000496004707 267121116 /nfs/dbraw/zinc/12/11/16/267121116.db2.gz LCQBFQSUAQDXRS-UHFFFAOYSA-N 1 2 319.380 2.750 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000472324915 267203473 /nfs/dbraw/zinc/20/34/73/267203473.db2.gz IXDKNIBEYPAAEO-ZWKOTPCHSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H](CC)CN1C(C)=O ZINC000472324915 267203475 /nfs/dbraw/zinc/20/34/75/267203475.db2.gz IXDKNIBEYPAAEO-ZWKOTPCHSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCN1CC(F)F ZINC000442880020 267232976 /nfs/dbraw/zinc/23/29/76/267232976.db2.gz KJNZTPVQKABGDA-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCN1CC(F)F ZINC000442880020 267232979 /nfs/dbraw/zinc/23/29/79/267232979.db2.gz KJNZTPVQKABGDA-HNNXBMFYSA-N 1 2 323.387 2.728 20 30 DFEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491838 267233117 /nfs/dbraw/zinc/23/31/17/267233117.db2.gz JQFIQQKHDWFPDE-JSGCOSHPSA-N 1 2 319.405 2.596 20 30 DFEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCCO1 ZINC000439491838 267233119 /nfs/dbraw/zinc/23/31/19/267233119.db2.gz JQFIQQKHDWFPDE-JSGCOSHPSA-N 1 2 319.405 2.596 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000493624126 267255091 /nfs/dbraw/zinc/25/50/91/267255091.db2.gz SDWWPNXCAWXTOZ-BQYQJAHWSA-N 1 2 317.352 2.975 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000456365716 267256995 /nfs/dbraw/zinc/25/69/95/267256995.db2.gz WDHROQOJBXFNDN-ZDUSSCGKSA-N 1 2 308.385 2.684 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000457790227 267257893 /nfs/dbraw/zinc/25/78/93/267257893.db2.gz SWHFBFULWFAARP-INIZCTEOSA-N 1 2 323.400 2.846 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343336655 267277861 /nfs/dbraw/zinc/27/78/61/267277861.db2.gz PHAAZQNIBGUTMD-UHFFFAOYSA-N 1 2 317.352 2.759 20 30 DFEDLO C[N@@H+](Cc1ncccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000528532714 267325426 /nfs/dbraw/zinc/32/54/26/267325426.db2.gz AHGLXPINMBMBQI-INIZCTEOSA-N 1 2 301.777 2.772 20 30 DFEDLO C[N@H+](Cc1ncccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000528532714 267325429 /nfs/dbraw/zinc/32/54/29/267325429.db2.gz AHGLXPINMBMBQI-INIZCTEOSA-N 1 2 301.777 2.772 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)[C@@H](C)O1 ZINC000446066712 267761867 /nfs/dbraw/zinc/76/18/67/267761867.db2.gz CDYFXKHFNDTYBJ-JHJVBQTASA-N 1 2 312.373 2.606 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)[C@@H](C)O1 ZINC000446066712 267761870 /nfs/dbraw/zinc/76/18/70/267761870.db2.gz CDYFXKHFNDTYBJ-JHJVBQTASA-N 1 2 312.373 2.606 20 30 DFEDLO C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323482 425810095 /nfs/dbraw/zinc/81/00/95/425810095.db2.gz UTFKXGZSLSYXMP-UHFFFAOYSA-N 1 2 319.408 2.969 20 30 DFEDLO C[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323482 425810097 /nfs/dbraw/zinc/81/00/97/425810097.db2.gz UTFKXGZSLSYXMP-UHFFFAOYSA-N 1 2 319.408 2.969 20 30 DFEDLO Cc1[nH]nc2ncc(C[N@@H+](C)Cc3cc(C#N)ccc3F)cc12 ZINC000434987782 267930848 /nfs/dbraw/zinc/93/08/48/267930848.db2.gz WCADHBDFPUYXLY-UHFFFAOYSA-N 1 2 309.348 2.909 20 30 DFEDLO Cc1[nH]nc2ncc(C[N@H+](C)Cc3cc(C#N)ccc3F)cc12 ZINC000434987782 267930853 /nfs/dbraw/zinc/93/08/53/267930853.db2.gz WCADHBDFPUYXLY-UHFFFAOYSA-N 1 2 309.348 2.909 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000046168084 425864445 /nfs/dbraw/zinc/86/44/45/425864445.db2.gz URGLMOGYFLLMCV-UHFFFAOYSA-N 1 2 321.424 2.755 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000046518953 425865675 /nfs/dbraw/zinc/86/56/75/425865675.db2.gz PZPMNXSSBVFILY-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000046518953 425865676 /nfs/dbraw/zinc/86/56/76/425865676.db2.gz PZPMNXSSBVFILY-UHFFFAOYSA-N 1 2 304.353 2.500 20 30 DFEDLO Cc1nc(C2([NH2+]Cc3ccc(C#N)c(F)c3)CCCC2)no1 ZINC000192047341 268022117 /nfs/dbraw/zinc/02/21/17/268022117.db2.gz HJJCMHCWVDRDLO-UHFFFAOYSA-N 1 2 300.337 2.948 20 30 DFEDLO Cc1ccc2[nH+]cc(CN3CC(Oc4ccc(C#N)cc4)C3)n2c1 ZINC000459605979 268049109 /nfs/dbraw/zinc/04/91/09/268049109.db2.gz DTTYRQNZZZTRFQ-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000348659130 268096578 /nfs/dbraw/zinc/09/65/78/268096578.db2.gz IHUFWLASIBZCLI-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000428218106 268163284 /nfs/dbraw/zinc/16/32/84/268163284.db2.gz LOGAYBOGJUVHEZ-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000428218106 268163286 /nfs/dbraw/zinc/16/32/86/268163286.db2.gz LOGAYBOGJUVHEZ-QWHCGFSZSA-N 1 2 302.271 2.585 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000428963448 268164727 /nfs/dbraw/zinc/16/47/27/268164727.db2.gz MRAQJKYGZYJXPW-MRXNPFEDSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000428963448 268164731 /nfs/dbraw/zinc/16/47/31/268164731.db2.gz MRAQJKYGZYJXPW-MRXNPFEDSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352622299 268247774 /nfs/dbraw/zinc/24/77/74/268247774.db2.gz ZRUPDEJICWRFCQ-UHFFFAOYSA-N 1 2 309.325 2.861 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352622299 268247776 /nfs/dbraw/zinc/24/77/76/268247776.db2.gz ZRUPDEJICWRFCQ-UHFFFAOYSA-N 1 2 309.325 2.861 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000490919083 268268790 /nfs/dbraw/zinc/26/87/90/268268790.db2.gz HVQDDLJNGIRJPQ-FPLPWBNLSA-N 1 2 316.364 2.578 20 30 DFEDLO N#Cc1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191980016 268276654 /nfs/dbraw/zinc/27/66/54/268276654.db2.gz LRLSJKQXKPSZAU-UHFFFAOYSA-N 1 2 301.393 2.732 20 30 DFEDLO N#Cc1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000450409727 268282755 /nfs/dbraw/zinc/28/27/55/268282755.db2.gz WOIRDIYMOHDHMW-CYBMUJFWSA-N 1 2 309.329 2.552 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000459392853 268291200 /nfs/dbraw/zinc/29/12/00/268291200.db2.gz RBRFQPWQYQLHIL-GOSISDBHSA-N 1 2 323.352 2.558 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000459392853 268291201 /nfs/dbraw/zinc/29/12/01/268291201.db2.gz RBRFQPWQYQLHIL-GOSISDBHSA-N 1 2 323.352 2.558 20 30 DFEDLO N#Cc1ccnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000343086720 268295219 /nfs/dbraw/zinc/29/52/19/268295219.db2.gz UDLRHFUJECTXDE-CYBMUJFWSA-N 1 2 300.749 2.659 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2ncc(C#N)cc2Cl)CC1(C)C ZINC000296407714 268304960 /nfs/dbraw/zinc/30/49/60/268304960.db2.gz WIEHSBKYHZCMRT-GFCCVEGCSA-N 1 2 301.781 2.928 20 30 DFEDLO N#Cc1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000413100498 268313880 /nfs/dbraw/zinc/31/38/80/268313880.db2.gz SGWSPMNROSFUMN-UHFFFAOYSA-N 1 2 312.348 2.668 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000432069736 268320357 /nfs/dbraw/zinc/32/03/57/268320357.db2.gz QBRAYPWOSFPKGS-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO N#Cc1cscc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000345294901 268321578 /nfs/dbraw/zinc/32/15/78/268321578.db2.gz CWZDSMKUWBSRIL-UHFFFAOYSA-N 1 2 308.366 2.735 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000157676812 425939076 /nfs/dbraw/zinc/93/90/76/425939076.db2.gz OUUVSUPNKPSBRJ-OAHLLOKOSA-N 1 2 317.433 2.525 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000157676812 425939078 /nfs/dbraw/zinc/93/90/78/425939078.db2.gz OUUVSUPNKPSBRJ-OAHLLOKOSA-N 1 2 317.433 2.525 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157887824 425939128 /nfs/dbraw/zinc/93/91/28/425939128.db2.gz HKXAGFABLYLDNJ-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157887824 425939132 /nfs/dbraw/zinc/93/91/32/425939132.db2.gz HKXAGFABLYLDNJ-AWEZNQCLSA-N 1 2 304.409 2.997 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157944230 425940551 /nfs/dbraw/zinc/94/05/51/425940551.db2.gz DHYHHOGVAGQHFW-OAHLLOKOSA-N 1 2 316.449 2.591 20 30 DFEDLO CCC[N@@H+](CC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000104676033 425964272 /nfs/dbraw/zinc/96/42/72/425964272.db2.gz FHQOEKKGWXDBRW-UHFFFAOYSA-N 1 2 312.421 2.746 20 30 DFEDLO CCC[N@H+](CC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000104676033 425964274 /nfs/dbraw/zinc/96/42/74/425964274.db2.gz FHQOEKKGWXDBRW-UHFFFAOYSA-N 1 2 312.421 2.746 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125417056 425970755 /nfs/dbraw/zinc/97/07/55/425970755.db2.gz ZWWDDGPUBCKMGQ-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125417056 425970757 /nfs/dbraw/zinc/97/07/57/425970757.db2.gz ZWWDDGPUBCKMGQ-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)NC1(C#N)CCCCC1 ZINC000106241890 425971897 /nfs/dbraw/zinc/97/18/97/425971897.db2.gz BIFLCWITXRTAKM-RYUDHWBXSA-N 1 2 306.435 2.525 20 30 DFEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)N(C)CCC#N ZINC000070787447 425975972 /nfs/dbraw/zinc/97/59/72/425975972.db2.gz WZEFRFYWXBCBRX-WMLDXEAASA-N 1 2 311.385 2.719 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000074159457 426041407 /nfs/dbraw/zinc/04/14/07/426041407.db2.gz REEQJVBIMQFGIX-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000074159457 426041410 /nfs/dbraw/zinc/04/14/10/426041410.db2.gz REEQJVBIMQFGIX-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074294113 426045297 /nfs/dbraw/zinc/04/52/97/426045297.db2.gz YBSGFFFKWVRBRJ-UHFFFAOYSA-N 1 2 320.312 2.887 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000162336226 426061421 /nfs/dbraw/zinc/06/14/21/426061421.db2.gz JMZNTGIMVZIABM-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000162336226 426061424 /nfs/dbraw/zinc/06/14/24/426061424.db2.gz JMZNTGIMVZIABM-UHFFFAOYSA-N 1 2 312.398 2.563 20 30 DFEDLO COc1c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)nn1C ZINC000162335143 426061965 /nfs/dbraw/zinc/06/19/65/426061965.db2.gz WZGPFRDSZLLGHT-SNVBAGLBSA-N 1 2 302.353 2.599 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127820410 426087543 /nfs/dbraw/zinc/08/75/43/426087543.db2.gz QPFKNGASAZRFOQ-AWEZNQCLSA-N 1 2 315.392 2.675 20 30 DFEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127820410 426087545 /nfs/dbraw/zinc/08/75/45/426087545.db2.gz QPFKNGASAZRFOQ-AWEZNQCLSA-N 1 2 315.392 2.675 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148064 426102141 /nfs/dbraw/zinc/10/21/41/426102141.db2.gz HFSZFGHKDCAXAG-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148064 426102145 /nfs/dbraw/zinc/10/21/45/426102145.db2.gz HFSZFGHKDCAXAG-AEFFLSMTSA-N 1 2 314.429 2.649 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000076606231 426115466 /nfs/dbraw/zinc/11/54/66/426115466.db2.gz SAZDZJJCCZCXKK-UHFFFAOYSA-N 1 2 313.854 2.986 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000076606231 426115469 /nfs/dbraw/zinc/11/54/69/426115469.db2.gz SAZDZJJCCZCXKK-UHFFFAOYSA-N 1 2 313.854 2.986 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000077247526 426124237 /nfs/dbraw/zinc/12/42/37/426124237.db2.gz RBGIHLIBUQVSOS-CQSZACIVSA-N 1 2 311.385 2.824 20 30 DFEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCn2cccc2[C@H]1C ZINC000077247526 426124241 /nfs/dbraw/zinc/12/42/41/426124241.db2.gz RBGIHLIBUQVSOS-CQSZACIVSA-N 1 2 311.385 2.824 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000114195198 426128929 /nfs/dbraw/zinc/12/89/29/426128929.db2.gz XWGIQVWVJMODGP-AWEZNQCLSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1 ZINC000114195198 426128931 /nfs/dbraw/zinc/12/89/31/426128931.db2.gz XWGIQVWVJMODGP-AWEZNQCLSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000114195195 426129141 /nfs/dbraw/zinc/12/91/41/426129141.db2.gz XWGIQVWVJMODGP-CQSZACIVSA-N 1 2 312.398 2.618 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000114195195 426129144 /nfs/dbraw/zinc/12/91/44/426129144.db2.gz XWGIQVWVJMODGP-CQSZACIVSA-N 1 2 312.398 2.618 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CCCO[C@H]2CCOC2)c(O)c1 ZINC000129349191 426138874 /nfs/dbraw/zinc/13/88/74/426138874.db2.gz XESQPXLMVVFANQ-IQFISFIMSA-N 1 2 307.390 2.796 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)O1 ZINC000075648715 426080453 /nfs/dbraw/zinc/08/04/53/426080453.db2.gz MKYOTVQQDKTJGW-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)O1 ZINC000075648715 426080454 /nfs/dbraw/zinc/08/04/54/426080454.db2.gz MKYOTVQQDKTJGW-GFCCVEGCSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000127773298 426085105 /nfs/dbraw/zinc/08/51/05/426085105.db2.gz JLKVPZHUYJOYHO-HNNXBMFYSA-N 1 2 314.433 2.759 20 30 DFEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000127773298 426085107 /nfs/dbraw/zinc/08/51/07/426085107.db2.gz JLKVPZHUYJOYHO-HNNXBMFYSA-N 1 2 314.433 2.759 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000116896050 426200370 /nfs/dbraw/zinc/20/03/70/426200370.db2.gz HIFXZYWYNJOPDK-KRWDZBQOSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000116896050 426200372 /nfs/dbraw/zinc/20/03/72/426200372.db2.gz HIFXZYWYNJOPDK-KRWDZBQOSA-N 1 2 312.369 2.912 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000134937319 426201094 /nfs/dbraw/zinc/20/10/94/426201094.db2.gz KZNNUDAKFCTWJB-QGZVFWFLSA-N 1 2 305.422 2.538 20 30 DFEDLO C=CC[C@H](C)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000116944069 426201527 /nfs/dbraw/zinc/20/15/27/426201527.db2.gz YLGTZLLNEMKBKA-ZDUSSCGKSA-N 1 2 300.406 2.999 20 30 DFEDLO C=CC[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000116944381 426201969 /nfs/dbraw/zinc/20/19/69/426201969.db2.gz AEARBFZSYHNINQ-OAHLLOKOSA-N 1 2 312.417 2.738 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000116972206 426203482 /nfs/dbraw/zinc/20/34/82/426203482.db2.gz QVDUUSVMVDTNHC-DOMZBBRYSA-N 1 2 316.380 2.912 20 30 DFEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000077928909 426153504 /nfs/dbraw/zinc/15/35/04/426153504.db2.gz DAFWMHRFRZWGTH-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO N#Cc1ccc([C@H](Sc2[nH+]cc3ccccn32)C(N)=O)cc1 ZINC000115186032 426156030 /nfs/dbraw/zinc/15/60/30/426156030.db2.gz ARDUDFGKWWYRGN-AWEZNQCLSA-N 1 2 308.366 2.525 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131372449 426165173 /nfs/dbraw/zinc/16/51/73/426165173.db2.gz XAAWATOQFPHFSO-CQSZACIVSA-N 1 2 313.376 2.799 20 30 DFEDLO CC(C)Oc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597836 426168807 /nfs/dbraw/zinc/16/88/07/426168807.db2.gz KWLKIVUWLLQRRJ-SFHVURJKSA-N 1 2 323.396 2.662 20 30 DFEDLO Cc1[nH+]c2ccccn2c1CSc1nc(N)c(C#N)cc1C#N ZINC000133828902 426184165 /nfs/dbraw/zinc/18/41/65/426184165.db2.gz QLKGLXDMDJJNQN-UHFFFAOYSA-N 1 2 320.381 2.656 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133902789 426185338 /nfs/dbraw/zinc/18/53/38/426185338.db2.gz LHOFYDIYJZJSKX-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133902789 426185340 /nfs/dbraw/zinc/18/53/40/426185340.db2.gz LHOFYDIYJZJSKX-ZDUSSCGKSA-N 1 2 319.836 2.706 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116326979 426188083 /nfs/dbraw/zinc/18/80/83/426188083.db2.gz FFQCVJSRSBPBAJ-AWEZNQCLSA-N 1 2 310.850 2.732 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116326979 426188085 /nfs/dbraw/zinc/18/80/85/426188085.db2.gz FFQCVJSRSBPBAJ-AWEZNQCLSA-N 1 2 310.850 2.732 20 30 DFEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000079255771 426190452 /nfs/dbraw/zinc/19/04/52/426190452.db2.gz IYWNOEQJGOMQSH-UHFFFAOYSA-N 1 2 320.396 2.874 20 30 DFEDLO C[N@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000083217188 426229208 /nfs/dbraw/zinc/22/92/08/426229208.db2.gz IGSRNVDUZJRFRR-UHFFFAOYSA-N 1 2 300.318 2.638 20 30 DFEDLO C[N@@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000083217188 426229210 /nfs/dbraw/zinc/22/92/10/426229210.db2.gz IGSRNVDUZJRFRR-UHFFFAOYSA-N 1 2 300.318 2.638 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136131171 426235763 /nfs/dbraw/zinc/23/57/63/426235763.db2.gz NVEMVFVWVHIHKY-LLVKDONJSA-N 1 2 311.227 2.701 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136131171 426235766 /nfs/dbraw/zinc/23/57/66/426235766.db2.gz NVEMVFVWVHIHKY-LLVKDONJSA-N 1 2 311.227 2.701 20 30 DFEDLO N#CC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000135161145 426207180 /nfs/dbraw/zinc/20/71/80/426207180.db2.gz LZNRASANAVCEDU-UHFFFAOYSA-N 1 2 304.300 2.750 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612952 426329531 /nfs/dbraw/zinc/32/95/31/426329531.db2.gz IPWZYUDYTORAIO-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612952 426329534 /nfs/dbraw/zinc/32/95/34/426329534.db2.gz IPWZYUDYTORAIO-QGZVFWFLSA-N 1 2 319.836 2.753 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122814070 426396281 /nfs/dbraw/zinc/39/62/81/426396281.db2.gz WFBGNODCYPFFQZ-UHFFFAOYSA-N 1 2 320.396 2.731 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122814070 426396284 /nfs/dbraw/zinc/39/62/84/426396284.db2.gz WFBGNODCYPFFQZ-UHFFFAOYSA-N 1 2 320.396 2.731 20 30 DFEDLO C=CCN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000153866520 426410111 /nfs/dbraw/zinc/41/01/11/426410111.db2.gz AKLVYPNNSOELHK-UHFFFAOYSA-N 1 2 302.422 2.789 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1 ZINC000176983588 426431015 /nfs/dbraw/zinc/43/10/15/426431015.db2.gz DVXJRUXFSNASGM-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1 ZINC000176983588 426431019 /nfs/dbraw/zinc/43/10/19/426431019.db2.gz DVXJRUXFSNASGM-SFHVURJKSA-N 1 2 324.380 2.783 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000177083116 426441529 /nfs/dbraw/zinc/44/15/29/426441529.db2.gz LWXSNHRZAPZXGL-HNNXBMFYSA-N 1 2 303.793 2.681 20 30 DFEDLO C#CCCCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000177232477 426458500 /nfs/dbraw/zinc/45/85/00/426458500.db2.gz UEMDPDRSEGYNHL-UHFFFAOYSA-N 1 2 303.406 2.652 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccccc2OC)C1=O ZINC000155199969 426466132 /nfs/dbraw/zinc/46/61/32/426466132.db2.gz CQWZIISDAJGAOJ-GDBMZVCRSA-N 1 2 315.417 2.672 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccccc2OC)C1=O ZINC000155199969 426466134 /nfs/dbraw/zinc/46/61/34/426466134.db2.gz CQWZIISDAJGAOJ-GDBMZVCRSA-N 1 2 315.417 2.672 20 30 DFEDLO C[C@]([NH2+]Cc1ccccc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177390015 426475556 /nfs/dbraw/zinc/47/55/56/426475556.db2.gz CAUAIOMOCXLCJO-QGZVFWFLSA-N 1 2 313.788 2.702 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000186378411 426517339 /nfs/dbraw/zinc/51/73/39/426517339.db2.gz OZMWAJKQPMTXNH-MLGOLLRUSA-N 1 2 312.348 2.617 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 ZINC000280345874 426554042 /nfs/dbraw/zinc/55/40/42/426554042.db2.gz HOAIQNLNDKWTDR-OCCSQVGLSA-N 1 2 308.328 2.797 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)cc1C#N ZINC000177586625 426497411 /nfs/dbraw/zinc/49/74/11/426497411.db2.gz MGQMGLODXDXDOZ-UHFFFAOYSA-N 1 2 308.316 2.994 20 30 DFEDLO CC(C)OCCN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186284904 426500523 /nfs/dbraw/zinc/50/05/23/426500523.db2.gz SAXMMHDXIDBMPQ-INIZCTEOSA-N 1 2 301.434 2.662 20 30 DFEDLO CC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272601553 426568732 /nfs/dbraw/zinc/56/87/32/426568732.db2.gz OVGFTZMABLCXDQ-CVEARBPZSA-N 1 2 313.445 2.885 20 30 DFEDLO Cc1c(Cl)cnc(N2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000273021252 426575918 /nfs/dbraw/zinc/57/59/18/426575918.db2.gz KZGMZKUUBZLHKZ-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO Cc1ccnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000273037772 426580165 /nfs/dbraw/zinc/58/01/65/426580165.db2.gz OFNWYMDPOCUMMY-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)Cn1cc[nH+]c1 ZINC000265280408 426613089 /nfs/dbraw/zinc/61/30/89/426613089.db2.gz WIKZXPZGNNFMEB-SNVBAGLBSA-N 1 2 309.295 2.917 20 30 DFEDLO COc1cc(C#N)ccc1OC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000265417285 426632562 /nfs/dbraw/zinc/63/25/62/426632562.db2.gz DYEJJOUQULTCHC-AWEZNQCLSA-N 1 2 324.380 2.993 20 30 DFEDLO COc1cc(C#N)ccc1OC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000265417285 426632567 /nfs/dbraw/zinc/63/25/67/426632567.db2.gz DYEJJOUQULTCHC-AWEZNQCLSA-N 1 2 324.380 2.993 20 30 DFEDLO N#Cc1cn(Cc2[nH+]ccn2C(F)F)c2ccccc2c1=O ZINC000178471987 426636826 /nfs/dbraw/zinc/63/68/26/426636826.db2.gz APGHZIZWWZPCSS-UHFFFAOYSA-N 1 2 300.268 2.513 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000178490058 426639561 /nfs/dbraw/zinc/63/95/61/426639561.db2.gz BIFWQOMUEAXVLQ-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000178490058 426639566 /nfs/dbraw/zinc/63/95/66/426639566.db2.gz BIFWQOMUEAXVLQ-HNNXBMFYSA-N 1 2 316.401 2.873 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000265467072 426641992 /nfs/dbraw/zinc/64/19/92/426641992.db2.gz XNUKGTNLYHEESO-DOMZBBRYSA-N 1 2 316.380 2.912 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281126028 426703324 /nfs/dbraw/zinc/70/33/24/426703324.db2.gz SQQKVPLZGWZIFT-CYBMUJFWSA-N 1 2 314.345 2.865 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000281383048 426716238 /nfs/dbraw/zinc/71/62/38/426716238.db2.gz NUJKSHOSNJSQFQ-WMLDXEAASA-N 1 2 310.401 2.890 20 30 DFEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000274493155 426780638 /nfs/dbraw/zinc/78/06/38/426780638.db2.gz TWMSJCGSUUTVLD-LLVKDONJSA-N 1 2 302.465 2.518 20 30 DFEDLO C#CC[N@@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC000266888542 426790128 /nfs/dbraw/zinc/79/01/28/426790128.db2.gz CBYCBIMJPRCXNP-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO C#CC[N@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC000266888542 426790132 /nfs/dbraw/zinc/79/01/32/426790132.db2.gz CBYCBIMJPRCXNP-UHFFFAOYSA-N 1 2 312.207 2.921 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246325774 426821723 /nfs/dbraw/zinc/82/17/23/426821723.db2.gz JAVHYLYTIKFMTQ-MLGOLLRUSA-N 1 2 322.478 2.807 20 30 DFEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000246325774 426821727 /nfs/dbraw/zinc/82/17/27/426821727.db2.gz JAVHYLYTIKFMTQ-MLGOLLRUSA-N 1 2 322.478 2.807 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c(C#N)c1C ZINC000267092087 426824180 /nfs/dbraw/zinc/82/41/80/426824180.db2.gz VASWNOZKXWRSMK-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c(C#N)c1C ZINC000267092087 426824184 /nfs/dbraw/zinc/82/41/84/426824184.db2.gz VASWNOZKXWRSMK-ZDUSSCGKSA-N 1 2 321.446 2.676 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3cccc(Cl)c3)[C@H]2C1 ZINC000246442108 426835356 /nfs/dbraw/zinc/83/53/56/426835356.db2.gz ISTIOHSEAODTCR-FGTMMUONSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3cccc(Cl)c3)[C@H]2C1 ZINC000246442108 426835359 /nfs/dbraw/zinc/83/53/59/426835359.db2.gz ISTIOHSEAODTCR-FGTMMUONSA-N 1 2 319.832 2.960 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000266894248 426790690 /nfs/dbraw/zinc/79/06/90/426790690.db2.gz DPONDXRMMSEEOX-UHFFFAOYSA-N 1 2 301.415 2.604 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000266894248 426790695 /nfs/dbraw/zinc/79/06/95/426790695.db2.gz DPONDXRMMSEEOX-UHFFFAOYSA-N 1 2 301.415 2.604 20 30 DFEDLO CC#CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337681408 426917060 /nfs/dbraw/zinc/91/70/60/426917060.db2.gz NKQPAOWLFMQLON-HNNXBMFYSA-N 1 2 314.433 2.522 20 30 DFEDLO C=C(Br)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(OC)c1 ZINC000282274075 426870349 /nfs/dbraw/zinc/87/03/49/426870349.db2.gz RLDQFTKUMDOGHV-OCCSQVGLSA-N 1 2 312.207 2.712 20 30 DFEDLO C=C(Br)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(OC)c1 ZINC000282274075 426870355 /nfs/dbraw/zinc/87/03/55/426870355.db2.gz RLDQFTKUMDOGHV-OCCSQVGLSA-N 1 2 312.207 2.712 20 30 DFEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1Cl ZINC000275756304 426911709 /nfs/dbraw/zinc/91/17/09/426911709.db2.gz DWWBEIDFQZILKX-LLVKDONJSA-N 1 2 306.797 2.884 20 30 DFEDLO C[C@H]1CCN(c2snc(Cl)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268233136 426958364 /nfs/dbraw/zinc/95/83/64/426958364.db2.gz FXZPNTXGXGNFRH-GXSJLCMTSA-N 1 2 307.810 2.952 20 30 DFEDLO C[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000268253457 426967739 /nfs/dbraw/zinc/96/77/39/426967739.db2.gz KNYYMAVSTCXOTH-SMDDNHRTSA-N 1 2 301.781 2.891 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H](C)CC ZINC000181629357 426969796 /nfs/dbraw/zinc/96/97/96/426969796.db2.gz ZRPPBHVLHXAXAN-CZUORRHYSA-N 1 2 304.390 2.504 20 30 DFEDLO C[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000268277094 426976392 /nfs/dbraw/zinc/97/63/92/426976392.db2.gz QIJCUCPNDIFVHE-CXAGYDPISA-N 1 2 307.401 2.726 20 30 DFEDLO C[C@H]1CCN(C(=O)NCC#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000268355783 426994856 /nfs/dbraw/zinc/99/48/56/426994856.db2.gz RUYJEWNYQVGVRE-FUHWJXTLSA-N 1 2 322.412 2.527 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000268293776 426980394 /nfs/dbraw/zinc/98/03/94/426980394.db2.gz KDZSCIRTHNDOGZ-CQSZACIVSA-N 1 2 311.385 2.944 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000268293776 426980399 /nfs/dbraw/zinc/98/03/99/426980399.db2.gz KDZSCIRTHNDOGZ-CQSZACIVSA-N 1 2 311.385 2.944 20 30 DFEDLO C=CCCN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000276085425 426982817 /nfs/dbraw/zinc/98/28/17/426982817.db2.gz LTVOORNNXIMNKP-AWEZNQCLSA-N 1 2 311.376 2.785 20 30 DFEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328700159 426987520 /nfs/dbraw/zinc/98/75/20/426987520.db2.gz VZFBZSLZCNUGCR-CYBMUJFWSA-N 1 2 321.421 2.748 20 30 DFEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000328700159 426987527 /nfs/dbraw/zinc/98/75/27/426987527.db2.gz VZFBZSLZCNUGCR-CYBMUJFWSA-N 1 2 321.421 2.748 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247359858 426930033 /nfs/dbraw/zinc/93/00/33/426930033.db2.gz HFSZFGHKDCAXAG-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247359858 426930040 /nfs/dbraw/zinc/93/00/40/426930040.db2.gz HFSZFGHKDCAXAG-SJLPKXTDSA-N 1 2 314.429 2.649 20 30 DFEDLO Cc1ccoc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000291631122 426935222 /nfs/dbraw/zinc/93/52/22/426935222.db2.gz SIISYUGGSIFOIM-UHFFFAOYSA-N 1 2 302.403 2.547 20 30 DFEDLO C[C@H](CCO)C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000329182510 427060332 /nfs/dbraw/zinc/06/03/32/427060332.db2.gz FEMPBTFJTWRVOY-KGLIPLIRSA-N 1 2 305.422 2.591 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)o1 ZINC000190024404 427002101 /nfs/dbraw/zinc/00/21/01/427002101.db2.gz ZYOIDJGVKFKPKW-UHFFFAOYSA-N 1 2 318.323 2.913 20 30 DFEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328868001 427006651 /nfs/dbraw/zinc/00/66/51/427006651.db2.gz ONOHHWBVSCYKIP-QLFBSQMISA-N 1 2 304.438 2.950 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000328973728 427017604 /nfs/dbraw/zinc/01/76/04/427017604.db2.gz ASFVTNAUVKKBDP-CBBWQLFWSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000328973728 427017608 /nfs/dbraw/zinc/01/76/08/427017608.db2.gz ASFVTNAUVKKBDP-CBBWQLFWSA-N 1 2 323.437 2.689 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)c1ccccc1C#N ZINC000337888105 427021076 /nfs/dbraw/zinc/02/10/76/427021076.db2.gz XMMMOJWWPDERAP-UHFFFAOYSA-N 1 2 304.353 2.879 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000268463760 427025584 /nfs/dbraw/zinc/02/55/84/427025584.db2.gz LFJBMTOKDFGWFS-CQSZACIVSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000268463760 427025587 /nfs/dbraw/zinc/02/55/87/427025587.db2.gz LFJBMTOKDFGWFS-CQSZACIVSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000268463760 427025596 /nfs/dbraw/zinc/02/55/96/427025596.db2.gz LFJBMTOKDFGWFS-CQSZACIVSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000268463760 427025601 /nfs/dbraw/zinc/02/56/01/427025601.db2.gz LFJBMTOKDFGWFS-CQSZACIVSA-N 1 2 320.400 2.617 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000329025960 427026618 /nfs/dbraw/zinc/02/66/18/427026618.db2.gz JQRXTLRCQHXBGW-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000329025960 427026621 /nfs/dbraw/zinc/02/66/21/427026621.db2.gz JQRXTLRCQHXBGW-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329020929 427026773 /nfs/dbraw/zinc/02/67/73/427026773.db2.gz HUKLIDCNCRRYOP-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329020929 427026778 /nfs/dbraw/zinc/02/67/78/427026778.db2.gz HUKLIDCNCRRYOP-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000268498201 427034201 /nfs/dbraw/zinc/03/42/01/427034201.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000268498201 427034211 /nfs/dbraw/zinc/03/42/11/427034211.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000268498201 427034215 /nfs/dbraw/zinc/03/42/15/427034215.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000268498201 427034224 /nfs/dbraw/zinc/03/42/24/427034224.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000268498201 427034230 /nfs/dbraw/zinc/03/42/30/427034230.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000268498201 427034237 /nfs/dbraw/zinc/03/42/37/427034237.db2.gz RQEDDYZMVPQGBS-HNNXBMFYSA-N 1 2 314.820 2.998 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329061691 427036103 /nfs/dbraw/zinc/03/61/03/427036103.db2.gz JTSFIILIUHJRIE-RHSMWYFYSA-N 1 2 310.438 2.546 20 30 DFEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329061691 427036109 /nfs/dbraw/zinc/03/61/09/427036109.db2.gz JTSFIILIUHJRIE-RHSMWYFYSA-N 1 2 310.438 2.546 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329065497 427037305 /nfs/dbraw/zinc/03/73/05/427037305.db2.gz WEZZWOJMRHIBOV-GFCCVEGCSA-N 1 2 318.352 2.903 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329065497 427037313 /nfs/dbraw/zinc/03/73/13/427037313.db2.gz WEZZWOJMRHIBOV-GFCCVEGCSA-N 1 2 318.352 2.903 20 30 DFEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329065501 427037347 /nfs/dbraw/zinc/03/73/47/427037347.db2.gz WEZZWOJMRHIBOV-LBPRGKRZSA-N 1 2 318.352 2.903 20 30 DFEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3F)C2)n1 ZINC000329065501 427037356 /nfs/dbraw/zinc/03/73/56/427037356.db2.gz WEZZWOJMRHIBOV-LBPRGKRZSA-N 1 2 318.352 2.903 20 30 DFEDLO C=CCCN(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000276359040 427046107 /nfs/dbraw/zinc/04/61/07/427046107.db2.gz IVHSWYUJNBYGHZ-UHFFFAOYSA-N 1 2 303.431 2.910 20 30 DFEDLO [O-]C(NC(C1CCC1)C1CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329205746 427065049 /nfs/dbraw/zinc/06/50/49/427065049.db2.gz DNEFLJBQZMMAOR-AWEZNQCLSA-N 1 2 302.422 2.670 20 30 DFEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C(C1CCC1)C1CCC1 ZINC000329205746 427065053 /nfs/dbraw/zinc/06/50/53/427065053.db2.gz DNEFLJBQZMMAOR-AWEZNQCLSA-N 1 2 302.422 2.670 20 30 DFEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276436584 427066775 /nfs/dbraw/zinc/06/67/75/427066775.db2.gz ZRTQBJCIENBIBG-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000248979770 427070233 /nfs/dbraw/zinc/07/02/33/427070233.db2.gz VBKGHWHNNRNFGS-KSSFIOAISA-N 1 2 317.433 2.525 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2cccc(C#N)c2)CC1(C)C ZINC000296166099 427097177 /nfs/dbraw/zinc/09/71/77/427097177.db2.gz BEGKSRNFQQNDKF-OAHLLOKOSA-N 1 2 323.400 2.584 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329359403 427099770 /nfs/dbraw/zinc/09/97/70/427099770.db2.gz BVOXDGKPLOGZGD-NSHDSACASA-N 1 2 309.797 2.824 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCOCC2(CC2)C1 ZINC000329359403 427099772 /nfs/dbraw/zinc/09/97/72/427099772.db2.gz BVOXDGKPLOGZGD-NSHDSACASA-N 1 2 309.797 2.824 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000268716737 427099769 /nfs/dbraw/zinc/09/97/69/427099769.db2.gz UZAJLHKDMBHBAO-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000268716737 427099774 /nfs/dbraw/zinc/09/97/74/427099774.db2.gz UZAJLHKDMBHBAO-PMACEKPBSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268730750 427107023 /nfs/dbraw/zinc/10/70/23/427107023.db2.gz XKMMSTDTYCWYGN-VQTJNVASSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268730750 427107027 /nfs/dbraw/zinc/10/70/27/427107027.db2.gz XKMMSTDTYCWYGN-VQTJNVASSA-N 1 2 322.408 2.883 20 30 DFEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329422191 427112115 /nfs/dbraw/zinc/11/21/15/427112115.db2.gz DYNWSTLWNRJJHO-UHFFFAOYSA-N 1 2 321.446 2.722 20 30 DFEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329422191 427112123 /nfs/dbraw/zinc/11/21/23/427112123.db2.gz DYNWSTLWNRJJHO-UHFFFAOYSA-N 1 2 321.446 2.722 20 30 DFEDLO N#Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc2ccccc12 ZINC000338054858 427116663 /nfs/dbraw/zinc/11/66/63/427116663.db2.gz OFFGRKLAPHCUFM-OAHLLOKOSA-N 1 2 315.380 3.192 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)C2)[nH]1 ZINC000329475780 427122677 /nfs/dbraw/zinc/12/26/77/427122677.db2.gz PDRRKMUQUHPZME-DGCLKSJQSA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000329475780 427122681 /nfs/dbraw/zinc/12/26/81/427122681.db2.gz PDRRKMUQUHPZME-DGCLKSJQSA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000329475780 427122685 /nfs/dbraw/zinc/12/26/85/427122685.db2.gz PDRRKMUQUHPZME-DGCLKSJQSA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)n[nH]1 ZINC000329475780 427122688 /nfs/dbraw/zinc/12/26/88/427122688.db2.gz PDRRKMUQUHPZME-DGCLKSJQSA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)C2)n[nH]1 ZINC000329475780 427122692 /nfs/dbraw/zinc/12/26/92/427122692.db2.gz PDRRKMUQUHPZME-DGCLKSJQSA-N 1 2 305.426 2.580 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329480455 427124449 /nfs/dbraw/zinc/12/44/49/427124449.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329480455 427124456 /nfs/dbraw/zinc/12/44/56/427124456.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)n1 ZINC000329480455 427124461 /nfs/dbraw/zinc/12/44/61/427124461.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)n1 ZINC000329480455 427124467 /nfs/dbraw/zinc/12/44/67/427124467.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329480455 427124475 /nfs/dbraw/zinc/12/44/75/427124475.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329480455 427124482 /nfs/dbraw/zinc/12/44/82/427124482.db2.gz QTDIHXNIQCMLLS-HNFVBEJKSA-N 1 2 319.453 2.828 20 30 DFEDLO CC1(C)CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)O1 ZINC000329502077 427126872 /nfs/dbraw/zinc/12/68/72/427126872.db2.gz KPZXFSVHMKRICL-HUUCEWRRSA-N 1 2 310.438 2.544 20 30 DFEDLO CC1(C)CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)O1 ZINC000329502077 427126877 /nfs/dbraw/zinc/12/68/77/427126877.db2.gz KPZXFSVHMKRICL-HUUCEWRRSA-N 1 2 310.438 2.544 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC12CCC2 ZINC000329547491 427141516 /nfs/dbraw/zinc/14/15/16/427141516.db2.gz HKGKTRYEWHOMHC-CHWSQXEVSA-N 1 2 302.422 2.693 20 30 DFEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC12CCC2 ZINC000329547491 427141521 /nfs/dbraw/zinc/14/15/21/427141521.db2.gz HKGKTRYEWHOMHC-CHWSQXEVSA-N 1 2 302.422 2.693 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000249918707 427149687 /nfs/dbraw/zinc/14/96/87/427149687.db2.gz YDYCKXWFZJRFEF-PMPSAXMXSA-N 1 2 301.434 2.776 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000249918707 427149694 /nfs/dbraw/zinc/14/96/94/427149694.db2.gz YDYCKXWFZJRFEF-PMPSAXMXSA-N 1 2 301.434 2.776 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285429835 427230401 /nfs/dbraw/zinc/23/04/01/427230401.db2.gz WOHAAEBUVYYYKU-UHFFFAOYSA-N 1 2 313.382 2.941 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285429835 427230410 /nfs/dbraw/zinc/23/04/10/427230410.db2.gz WOHAAEBUVYYYKU-UHFFFAOYSA-N 1 2 313.382 2.941 20 30 DFEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000293199207 427243552 /nfs/dbraw/zinc/24/35/52/427243552.db2.gz XOWFEXSDTVUVCK-MRXNPFEDSA-N 1 2 323.400 2.715 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000338304827 427250174 /nfs/dbraw/zinc/25/01/74/427250174.db2.gz IBMVJXZZAYECRW-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000338304827 427250182 /nfs/dbraw/zinc/25/01/82/427250182.db2.gz IBMVJXZZAYECRW-SJORKVTESA-N 1 2 308.385 2.757 20 30 DFEDLO C[C@H](c1cccc(NC(=O)c2ccc(C#N)[nH]2)c1)[NH+]1CCOCC1 ZINC000269763151 427271968 /nfs/dbraw/zinc/27/19/68/427271968.db2.gz ZHZFDVLCJMHTPO-CYBMUJFWSA-N 1 2 324.384 2.532 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000330819680 427308280 /nfs/dbraw/zinc/30/82/80/427308280.db2.gz GYKGYAQGKUCHNW-GWCFXTLKSA-N 1 2 322.206 2.669 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000330819684 427308457 /nfs/dbraw/zinc/30/84/57/427308457.db2.gz GYKGYAQGKUCHNW-ZWNOBZJWSA-N 1 2 322.206 2.669 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331109075 427348098 /nfs/dbraw/zinc/34/80/98/427348098.db2.gz KDSGLYDEDXSDKM-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331109075 427348103 /nfs/dbraw/zinc/34/81/03/427348103.db2.gz KDSGLYDEDXSDKM-LBPRGKRZSA-N 1 2 312.373 2.608 20 30 DFEDLO CC(C)CC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331119175 427350035 /nfs/dbraw/zinc/35/00/35/427350035.db2.gz 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ZINC000271051334 427388936 /nfs/dbraw/zinc/38/89/36/427388936.db2.gz WAYFQNIETQDSAD-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)c1 ZINC000271203144 427451251 /nfs/dbraw/zinc/45/12/51/427451251.db2.gz JIPIWWIYGRPYNK-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)c1 ZINC000271203144 427451257 /nfs/dbraw/zinc/45/12/57/427451257.db2.gz JIPIWWIYGRPYNK-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)o1 ZINC000278400116 427430612 /nfs/dbraw/zinc/43/06/12/427430612.db2.gz BJVBKUVCHATRJI-ZDUSSCGKSA-N 1 2 301.321 2.729 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)o1 ZINC000278400116 427430617 /nfs/dbraw/zinc/43/06/17/427430617.db2.gz BJVBKUVCHATRJI-ZDUSSCGKSA-N 1 2 301.321 2.729 20 30 DFEDLO C=CCCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000338676709 427434333 /nfs/dbraw/zinc/43/43/33/427434333.db2.gz AZZJRMREDZZQRT-UHFFFAOYSA-N 1 2 308.179 2.679 20 30 DFEDLO 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ZINC000279123731 427567941 /nfs/dbraw/zinc/56/79/41/427567941.db2.gz LXYCRLVJUDZNRW-WFASDCNBSA-N 1 2 312.373 2.638 20 30 DFEDLO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000263817680 427581424 /nfs/dbraw/zinc/58/14/24/427581424.db2.gz WNGQLDRFGKYVSW-TXEJJXNPSA-N 1 2 322.840 2.906 20 30 DFEDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000263817680 427581430 /nfs/dbraw/zinc/58/14/30/427581430.db2.gz WNGQLDRFGKYVSW-TXEJJXNPSA-N 1 2 322.840 2.906 20 30 DFEDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC ZINC000287602054 427650464 /nfs/dbraw/zinc/65/04/64/427650464.db2.gz YUCGPXDIPUTDBK-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC ZINC000287602054 427650469 /nfs/dbraw/zinc/65/04/69/427650469.db2.gz YUCGPXDIPUTDBK-UHFFFAOYSA-N 1 2 311.385 2.610 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N3CCCC3)nc2)n1 ZINC000279449786 427677045 /nfs/dbraw/zinc/67/70/45/427677045.db2.gz SMWFVKCHRLQZOJ-UHFFFAOYSA-N 1 2 323.444 2.534 20 30 DFEDLO 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20 30 DFEDLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000377253315 428092247 /nfs/dbraw/zinc/09/22/47/428092247.db2.gz UADMIXQYKRPSNC-GOSISDBHSA-N 1 2 309.369 2.541 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000370140002 428141849 /nfs/dbraw/zinc/14/18/49/428141849.db2.gz IOQQSORKOIEUHO-UHFFFAOYSA-N 1 2 310.401 2.971 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2coc3ccccc23)C(N)=O)cc1 ZINC000360068019 428143221 /nfs/dbraw/zinc/14/32/21/428143221.db2.gz FNPMIQQVHQEQNJ-KRWDZBQOSA-N 1 2 305.337 2.621 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCC(=O)Nc4ccccc43)n2c1 ZINC000356371504 428146752 /nfs/dbraw/zinc/14/67/52/428146752.db2.gz VXVWMSFYHWZDGB-UHFFFAOYSA-N 1 2 317.352 2.555 20 30 DFEDLO CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000360075884 428146930 /nfs/dbraw/zinc/14/69/30/428146930.db2.gz VVELHYAPPMLBHL-RDJZCZTQSA-N 1 2 314.433 2.894 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000360075884 428146936 /nfs/dbraw/zinc/14/69/36/428146936.db2.gz VVELHYAPPMLBHL-RDJZCZTQSA-N 1 2 314.433 2.894 20 30 DFEDLO C[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000360212453 428206250 /nfs/dbraw/zinc/20/62/50/428206250.db2.gz OAVHEXRQAVSQRO-CQSZACIVSA-N 1 2 308.385 2.675 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377726675 428211320 /nfs/dbraw/zinc/21/13/20/428211320.db2.gz SIFRLTCUALZDOR-LLVKDONJSA-N 1 2 315.764 2.614 20 30 DFEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377726675 428211325 /nfs/dbraw/zinc/21/13/25/428211325.db2.gz SIFRLTCUALZDOR-LLVKDONJSA-N 1 2 315.764 2.614 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cc2ccccc2)cc1 ZINC000414133437 428215580 /nfs/dbraw/zinc/21/55/80/428215580.db2.gz GSJYEDJJDXGHIG-IBGZPJMESA-N 1 2 324.424 2.863 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cc2ccccc2)cc1 ZINC000414133437 428215584 /nfs/dbraw/zinc/21/55/84/428215584.db2.gz GSJYEDJJDXGHIG-IBGZPJMESA-N 1 2 324.424 2.863 20 30 DFEDLO C=CCC(C)(C)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000414207633 428235632 /nfs/dbraw/zinc/23/56/32/428235632.db2.gz KSWQBNYOSCRQAJ-UHFFFAOYSA-N 1 2 309.377 2.620 20 30 DFEDLO C=CCCC1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000356462282 428189867 /nfs/dbraw/zinc/18/98/67/428189867.db2.gz UHGMGSYSGYIPJU-HNNXBMFYSA-N 1 2 301.434 2.948 20 30 DFEDLO CN(CCCn1cc[nH+]c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356478744 428195889 /nfs/dbraw/zinc/19/58/89/428195889.db2.gz LZAIOYZBTNFLNF-QGZVFWFLSA-N 1 2 310.401 2.819 20 30 DFEDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352843661 428276064 /nfs/dbraw/zinc/27/60/64/428276064.db2.gz BNKLYZRYKWGGSQ-JTQLQIEISA-N 1 2 300.387 2.824 20 30 DFEDLO COCCCOc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352810851 428260664 /nfs/dbraw/zinc/26/06/64/428260664.db2.gz OTAPWDCXHOJUEV-UHFFFAOYSA-N 1 2 317.414 2.720 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](CF)C2)ccc1OC ZINC000414474659 428312624 /nfs/dbraw/zinc/31/26/24/428312624.db2.gz YOJPJNCEIVHVSU-HNNXBMFYSA-N 1 2 309.381 2.820 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](CF)C2)ccc1OC ZINC000414474659 428312630 /nfs/dbraw/zinc/31/26/30/428312630.db2.gz YOJPJNCEIVHVSU-HNNXBMFYSA-N 1 2 309.381 2.820 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3CCCCC[C@H]32)c(C#N)c1C ZINC000378254857 428347939 /nfs/dbraw/zinc/34/79/39/428347939.db2.gz TYEGLCCHBFPLAH-DZGCQCFKSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3CCCCC[C@H]32)c(C#N)c1C ZINC000378254857 428347944 /nfs/dbraw/zinc/34/79/44/428347944.db2.gz TYEGLCCHBFPLAH-DZGCQCFKSA-N 1 2 301.390 2.971 20 30 DFEDLO C=CCn1cccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346878181 428356375 /nfs/dbraw/zinc/35/63/75/428356375.db2.gz LRXWBYWBCXHQLB-DZGCQCFKSA-N 1 2 314.389 2.650 20 30 DFEDLO C=CCn1cccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346878181 428356383 /nfs/dbraw/zinc/35/63/83/428356383.db2.gz LRXWBYWBCXHQLB-DZGCQCFKSA-N 1 2 314.389 2.650 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CCCCC[C@@H]32)c(C#N)c1C ZINC000378254858 428348699 /nfs/dbraw/zinc/34/86/99/428348699.db2.gz TYEGLCCHBFPLAH-HIFRSBDPSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H]3CCCCC[C@@H]32)c(C#N)c1C ZINC000378254858 428348702 /nfs/dbraw/zinc/34/87/02/428348702.db2.gz TYEGLCCHBFPLAH-HIFRSBDPSA-N 1 2 301.390 2.971 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000346970546 428390239 /nfs/dbraw/zinc/39/02/39/428390239.db2.gz IOCVDFSANASXLO-QWQRMKEZSA-N 1 2 314.433 2.598 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000342357178 428412205 /nfs/dbraw/zinc/41/22/05/428412205.db2.gz HDXQBSNAORZUMW-UHFFFAOYSA-N 1 2 314.349 2.513 20 30 DFEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(F)cc3C#N)cn2c1 ZINC000356907532 428358109 /nfs/dbraw/zinc/35/81/09/428358109.db2.gz HYKIGQCNQCCSAC-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO C=CCCOCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357032215 428372062 /nfs/dbraw/zinc/37/20/62/428372062.db2.gz XTKOMTGNIJXMLP-INIZCTEOSA-N 1 2 303.381 2.831 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCc3ncnc(N(C)C)c3C2)c1 ZINC000371384205 428385858 /nfs/dbraw/zinc/38/58/58/428385858.db2.gz RMUQUBCHLRTSNB-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCc3ncnc(N(C)C)c3C2)c1 ZINC000371384205 428385865 /nfs/dbraw/zinc/38/58/65/428385865.db2.gz RMUQUBCHLRTSNB-UHFFFAOYSA-N 1 2 324.428 2.666 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000342842349 428468876 /nfs/dbraw/zinc/46/88/76/428468876.db2.gz QDFKQKKMEGNNGY-CQSZACIVSA-N 1 2 321.446 2.747 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000353322818 428485057 /nfs/dbraw/zinc/48/50/57/428485057.db2.gz DAXKGODWIARBIT-QWHCGFSZSA-N 1 2 323.387 2.966 20 30 DFEDLO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000353322818 428485064 /nfs/dbraw/zinc/48/50/64/428485064.db2.gz DAXKGODWIARBIT-QWHCGFSZSA-N 1 2 323.387 2.966 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000343043318 428508403 /nfs/dbraw/zinc/50/84/03/428508403.db2.gz DVJDROSZXZOYNW-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000373039575 428514120 /nfs/dbraw/zinc/51/41/20/428514120.db2.gz IEXDXFWYVGQCKI-CYBMUJFWSA-N 1 2 313.243 2.658 20 30 DFEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000373039575 428514127 /nfs/dbraw/zinc/51/41/27/428514127.db2.gz IEXDXFWYVGQCKI-CYBMUJFWSA-N 1 2 313.243 2.658 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)cnc2ccc(Cl)cc21 ZINC000357303787 428472334 /nfs/dbraw/zinc/47/23/34/428472334.db2.gz PEOCYEYZMHFCSJ-NSHDSACASA-N 1 2 311.776 2.879 20 30 DFEDLO N#CCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000358073622 428581884 /nfs/dbraw/zinc/58/18/84/428581884.db2.gz DSTPYRVPUKVYRZ-UHFFFAOYSA-N 1 2 324.211 2.722 20 30 DFEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000358073622 428581893 /nfs/dbraw/zinc/58/18/93/428581893.db2.gz DSTPYRVPUKVYRZ-UHFFFAOYSA-N 1 2 324.211 2.722 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353538856 428584208 /nfs/dbraw/zinc/58/42/08/428584208.db2.gz JEFRZIUAVJXZOH-UHFFFAOYSA-N 1 2 315.352 2.872 20 30 DFEDLO Cc1ccc(CNc2ccn(-c3cccc(F)c3C#N)n2)c(C)[nH+]1 ZINC000358224482 428589059 /nfs/dbraw/zinc/58/90/59/428589059.db2.gz PRBWJQKZFMEYFU-UHFFFAOYSA-N 1 2 321.359 3.507 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000343254419 428541256 /nfs/dbraw/zinc/54/12/56/428541256.db2.gz BWAYIDOKWDFDLJ-INIZCTEOSA-N 1 2 316.445 2.993 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000361179881 428544820 /nfs/dbraw/zinc/54/48/20/428544820.db2.gz PQBAENUEYLVONZ-INIZCTEOSA-N 1 2 301.415 2.578 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000361179881 428544825 /nfs/dbraw/zinc/54/48/25/428544825.db2.gz PQBAENUEYLVONZ-INIZCTEOSA-N 1 2 301.415 2.578 20 30 DFEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CCCOC)c1C)C1CC1 ZINC000357558120 428544962 /nfs/dbraw/zinc/54/49/62/428544962.db2.gz ZYVGJOFMOKZJES-UHFFFAOYSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CCCOC)c1C)C1CC1 ZINC000357558120 428544967 /nfs/dbraw/zinc/54/49/67/428544967.db2.gz ZYVGJOFMOKZJES-UHFFFAOYSA-N 1 2 304.434 2.975 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347387013 428568016 /nfs/dbraw/zinc/56/80/16/428568016.db2.gz MCJCWLYQXKXBCV-SUMWQHHRSA-N 1 2 321.371 2.895 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347387013 428568022 /nfs/dbraw/zinc/56/80/22/428568022.db2.gz MCJCWLYQXKXBCV-SUMWQHHRSA-N 1 2 321.371 2.895 20 30 DFEDLO C=C(CC)C[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000358516238 428603943 /nfs/dbraw/zinc/60/39/43/428603943.db2.gz ZAQDBLYEXVPZRV-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=C(CC)C[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000358516238 428603945 /nfs/dbraw/zinc/60/39/45/428603945.db2.gz ZAQDBLYEXVPZRV-MRXNPFEDSA-N 1 2 323.458 2.651 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000373557433 428604995 /nfs/dbraw/zinc/60/49/95/428604995.db2.gz XTEQVRTWIDZDOG-CABCVRRESA-N 1 2 317.433 2.730 20 30 DFEDLO C=CC[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000373607354 428618054 /nfs/dbraw/zinc/61/80/54/428618054.db2.gz GNNCUMSMZMUZOW-IAGOWNOFSA-N 1 2 309.413 2.982 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358640972 428618773 /nfs/dbraw/zinc/61/87/73/428618773.db2.gz UWGNIXRWHIIFGC-CYBMUJFWSA-N 1 2 320.462 2.686 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000347694015 428620251 /nfs/dbraw/zinc/62/02/51/428620251.db2.gz SESJEIMFBCCVDB-GXSJLCMTSA-N 1 2 318.377 2.656 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347622743 428620606 /nfs/dbraw/zinc/62/06/06/428620606.db2.gz FMHLOMFSOIEYGR-ZWKOTPCHSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347622743 428620611 /nfs/dbraw/zinc/62/06/11/428620611.db2.gz FMHLOMFSOIEYGR-ZWKOTPCHSA-N 1 2 316.445 2.573 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1OC(F)F ZINC000347695903 428621682 /nfs/dbraw/zinc/62/16/82/428621682.db2.gz AXOXCMHPJIUHNK-TUAOUCFPSA-N 1 2 323.343 2.897 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347739112 428622293 /nfs/dbraw/zinc/62/22/93/428622293.db2.gz YKCSJHQOYFQERI-CQSZACIVSA-N 1 2 318.808 2.655 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347739112 428622297 /nfs/dbraw/zinc/62/22/97/428622297.db2.gz YKCSJHQOYFQERI-CQSZACIVSA-N 1 2 318.808 2.655 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347739111 428623188 /nfs/dbraw/zinc/62/31/88/428623188.db2.gz YKCSJHQOYFQERI-AWEZNQCLSA-N 1 2 318.808 2.655 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347739111 428623193 /nfs/dbraw/zinc/62/31/93/428623193.db2.gz YKCSJHQOYFQERI-AWEZNQCLSA-N 1 2 318.808 2.655 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000347706594 428623513 /nfs/dbraw/zinc/62/35/13/428623513.db2.gz OZLSABUFCXYXBF-MFKMUULPSA-N 1 2 311.307 2.926 20 30 DFEDLO CC[NH+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1 ZINC000347859668 428627713 /nfs/dbraw/zinc/62/77/13/428627713.db2.gz IZTXSYGCOOKHBV-INIZCTEOSA-N 1 2 308.385 2.808 20 30 DFEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1 ZINC000347859668 428627716 /nfs/dbraw/zinc/62/77/16/428627716.db2.gz IZTXSYGCOOKHBV-INIZCTEOSA-N 1 2 308.385 2.808 20 30 DFEDLO Cc1cnc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)s1 ZINC000353706170 428666145 /nfs/dbraw/zinc/66/61/45/428666145.db2.gz GGDROSNURYZWCQ-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000374376850 428676138 /nfs/dbraw/zinc/67/61/38/428676138.db2.gz HDGPRJJXXSOCPA-QGZVFWFLSA-N 1 2 314.429 2.937 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362241165 428672153 /nfs/dbraw/zinc/67/21/53/428672153.db2.gz XAWIALFVCQQPFI-AWEZNQCLSA-N 1 2 313.405 2.811 20 30 DFEDLO Cc1ccccc1C1=CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000374613269 428711983 /nfs/dbraw/zinc/71/19/83/428711983.db2.gz ODQKMTCTCSAOMG-FQEVSTJZSA-N 1 2 323.440 2.893 20 30 DFEDLO Cc1ccccc1C1=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000374613269 428711990 /nfs/dbraw/zinc/71/19/90/428711990.db2.gz ODQKMTCTCSAOMG-FQEVSTJZSA-N 1 2 323.440 2.893 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000348351654 428716589 /nfs/dbraw/zinc/71/65/89/428716589.db2.gz FHWPXAAKOGQBCY-CQSZACIVSA-N 1 2 312.373 2.581 20 30 DFEDLO N#CC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000374456176 428679172 /nfs/dbraw/zinc/67/91/72/428679172.db2.gz JEGPQCCQZPDRBM-CQSZACIVSA-N 1 2 312.417 2.619 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358967096 428752751 /nfs/dbraw/zinc/75/27/51/428752751.db2.gz OYPLHXFSEPEZFG-LKTVYLICSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358967096 428752755 /nfs/dbraw/zinc/75/27/55/428752755.db2.gz OYPLHXFSEPEZFG-LKTVYLICSA-N 1 2 323.799 2.890 20 30 DFEDLO Cc1c[nH+]ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345160463 428778673 /nfs/dbraw/zinc/77/86/73/428778673.db2.gz NMNWCUGADSRPJX-UHFFFAOYSA-N 1 2 304.309 2.591 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000374901292 428779508 /nfs/dbraw/zinc/77/95/08/428779508.db2.gz WMSRPAWJHYQAIW-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000374901292 428779512 /nfs/dbraw/zinc/77/95/12/428779512.db2.gz WMSRPAWJHYQAIW-SFHVURJKSA-N 1 2 312.344 2.976 20 30 DFEDLO C=CC[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411372304 428784836 /nfs/dbraw/zinc/78/48/36/428784836.db2.gz URDZKUNPKPPISX-OAHLLOKOSA-N 1 2 310.463 2.526 20 30 DFEDLO C=CC[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411372304 428784840 /nfs/dbraw/zinc/78/48/40/428784840.db2.gz URDZKUNPKPPISX-OAHLLOKOSA-N 1 2 310.463 2.526 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000374713238 428736701 /nfs/dbraw/zinc/73/67/01/428736701.db2.gz FAOYEZDKNPONFS-LSDHHAIUSA-N 1 2 320.437 2.594 20 30 DFEDLO C=CCN(CC=C)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348452089 428746677 /nfs/dbraw/zinc/74/66/77/428746677.db2.gz AQUJBQSODLOTPH-UHFFFAOYSA-N 1 2 322.412 3.211 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000362605778 428793872 /nfs/dbraw/zinc/79/38/72/428793872.db2.gz IMTMKAAZRZLCDP-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000362605778 428793879 /nfs/dbraw/zinc/79/38/79/428793879.db2.gz IMTMKAAZRZLCDP-ZDUSSCGKSA-N 1 2 306.837 2.927 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362614506 428795128 /nfs/dbraw/zinc/79/51/28/428795128.db2.gz PPXCJSCVDDAAIC-SOUVJXGZSA-N 1 2 317.433 2.992 20 30 DFEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362614506 428795131 /nfs/dbraw/zinc/79/51/31/428795131.db2.gz PPXCJSCVDDAAIC-SOUVJXGZSA-N 1 2 317.433 2.992 20 30 DFEDLO N#Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000345245305 428811979 /nfs/dbraw/zinc/81/19/79/428811979.db2.gz DOVAGESWWANBGZ-MRXNPFEDSA-N 1 2 319.836 2.508 20 30 DFEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1ncnn1CC(F)F ZINC000411684061 428838467 /nfs/dbraw/zinc/83/84/67/428838467.db2.gz IAXSLWUQOOMIAV-UHFFFAOYSA-N 1 2 311.380 2.839 20 30 DFEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ncnn1CC(F)F ZINC000411684061 428838473 /nfs/dbraw/zinc/83/84/73/428838473.db2.gz IAXSLWUQOOMIAV-UHFFFAOYSA-N 1 2 311.380 2.839 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CN1C(C)=O ZINC000354112495 428867559 /nfs/dbraw/zinc/86/75/59/428867559.db2.gz YSINNAMBSUXSRH-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CN1C(C)=O ZINC000354112495 428867563 /nfs/dbraw/zinc/86/75/63/428867563.db2.gz YSINNAMBSUXSRH-IRXDYDNUSA-N 1 2 317.408 2.919 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363173500 428874259 /nfs/dbraw/zinc/87/42/59/428874259.db2.gz GBVWAPFVOWDEIM-MSOLQXFVSA-N 1 2 324.428 2.520 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363173500 428874262 /nfs/dbraw/zinc/87/42/62/428874262.db2.gz GBVWAPFVOWDEIM-MSOLQXFVSA-N 1 2 324.428 2.520 20 30 DFEDLO COc1ccccc1[C@H](NCc1ccc(C#N)o1)c1[nH+]ccn1C ZINC000363264135 428894486 /nfs/dbraw/zinc/89/44/86/428894486.db2.gz ITLPLAFDNZFZNF-KRWDZBQOSA-N 1 2 322.368 2.773 20 30 DFEDLO COc1cccc2c1[nH+]c(NCc1ccc(C#N)cc1F)n2C ZINC000349076685 428914317 /nfs/dbraw/zinc/91/43/17/428914317.db2.gz CNGIFMJWXMTLQF-UHFFFAOYSA-N 1 2 310.332 3.205 20 30 DFEDLO Cc1nnc([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000412044427 428924614 /nfs/dbraw/zinc/92/46/14/428924614.db2.gz QLKHAKOHCSCZTG-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1nnc([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)[nH]1 ZINC000412044427 428924620 /nfs/dbraw/zinc/92/46/20/428924620.db2.gz QLKHAKOHCSCZTG-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000412044427 428924625 /nfs/dbraw/zinc/92/46/25/428924625.db2.gz QLKHAKOHCSCZTG-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000412044427 428924631 /nfs/dbraw/zinc/92/46/31/428924631.db2.gz QLKHAKOHCSCZTG-CQSZACIVSA-N 1 2 300.793 2.608 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419014911 428926849 /nfs/dbraw/zinc/92/68/49/428926849.db2.gz LHEQWMNCIPZMAC-MLGOLLRUSA-N 1 2 323.400 2.630 20 30 DFEDLO C[C@@H](O)CNc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]cn1 ZINC000419014911 428926852 /nfs/dbraw/zinc/92/68/52/428926852.db2.gz LHEQWMNCIPZMAC-MLGOLLRUSA-N 1 2 323.400 2.630 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000419333079 428931002 /nfs/dbraw/zinc/93/10/02/428931002.db2.gz LGWSCRCKFTZPOX-MFKMUULPSA-N 1 2 314.307 2.950 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349248006 428948377 /nfs/dbraw/zinc/94/83/77/428948377.db2.gz VFSMVPLBNDPAPC-CHWSQXEVSA-N 1 2 319.430 2.990 20 30 DFEDLO CC1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)CC[S@]1=O ZINC000451760354 428968188 /nfs/dbraw/zinc/96/81/88/428968188.db2.gz TTXADKXHYMAIHO-HXUWFJFHSA-N 1 2 309.862 2.925 20 30 DFEDLO CC1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)CC[S@]1=O ZINC000451760354 428968193 /nfs/dbraw/zinc/96/81/93/428968193.db2.gz TTXADKXHYMAIHO-HXUWFJFHSA-N 1 2 309.862 2.925 20 30 DFEDLO C=CCNc1ncc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)s1 ZINC000432911093 428968365 /nfs/dbraw/zinc/96/83/65/428968365.db2.gz HFWFKRPTYKJHPH-UHFFFAOYSA-N 1 2 313.386 3.178 20 30 DFEDLO C=CCNc1ncc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)s1 ZINC000432911093 428968370 /nfs/dbraw/zinc/96/83/70/428968370.db2.gz HFWFKRPTYKJHPH-UHFFFAOYSA-N 1 2 313.386 3.178 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cscc2C#N)c1C ZINC000433242740 429015299 /nfs/dbraw/zinc/01/52/99/429015299.db2.gz RIOHVVRALALXER-UHFFFAOYSA-N 1 2 315.398 2.912 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433306452 429022385 /nfs/dbraw/zinc/02/23/85/429022385.db2.gz RDXYNTVUHGEPGN-OAHLLOKOSA-N 1 2 301.434 2.524 20 30 DFEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433306452 429022390 /nfs/dbraw/zinc/02/23/90/429022390.db2.gz RDXYNTVUHGEPGN-OAHLLOKOSA-N 1 2 301.434 2.524 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975841 429030352 /nfs/dbraw/zinc/03/03/52/429030352.db2.gz WTNJNDPXQHMEAA-MRXNPFEDSA-N 1 2 321.371 2.864 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975841 429030358 /nfs/dbraw/zinc/03/03/58/429030358.db2.gz WTNJNDPXQHMEAA-MRXNPFEDSA-N 1 2 321.371 2.864 20 30 DFEDLO COC(=O)C[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000355137047 429030612 /nfs/dbraw/zinc/03/06/12/429030612.db2.gz QEEFAYMHESUIFS-UHFFFAOYSA-N 1 2 302.374 2.507 20 30 DFEDLO COC(=O)C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000355137047 429030619 /nfs/dbraw/zinc/03/06/19/429030619.db2.gz QEEFAYMHESUIFS-UHFFFAOYSA-N 1 2 302.374 2.507 20 30 DFEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000420928817 428975023 /nfs/dbraw/zinc/97/50/23/428975023.db2.gz PWZZOMSLXJROTF-RYUDHWBXSA-N 1 2 321.446 2.957 20 30 DFEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000420928817 428975027 /nfs/dbraw/zinc/97/50/27/428975027.db2.gz PWZZOMSLXJROTF-RYUDHWBXSA-N 1 2 321.446 2.957 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@H](C)C#N ZINC000354470153 428987283 /nfs/dbraw/zinc/98/72/83/428987283.db2.gz OLKSZXFELZSNTB-CQSZACIVSA-N 1 2 312.417 2.997 20 30 DFEDLO Cc1cc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421575281 429001764 /nfs/dbraw/zinc/00/17/64/429001764.db2.gz JORJXNHBDPEMLI-SFHVURJKSA-N 1 2 318.380 2.569 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)s1 ZINC000421891507 429045830 /nfs/dbraw/zinc/04/58/30/429045830.db2.gz VXOJNMDWTSOZHE-QMMMGPOBSA-N 1 2 307.400 2.714 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000424063252 429085979 /nfs/dbraw/zinc/08/59/79/429085979.db2.gz IJOKXWGZTUYXSA-UONOGXRCSA-N 1 2 311.389 2.546 20 30 DFEDLO CC(C)(CCC#N)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453229004 429148233 /nfs/dbraw/zinc/14/82/33/429148233.db2.gz PAEGFBIRZFFTKA-HNNXBMFYSA-N 1 2 301.369 2.953 20 30 DFEDLO CC(C)(CCC#N)C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453229004 429148238 /nfs/dbraw/zinc/14/82/38/429148238.db2.gz PAEGFBIRZFFTKA-HNNXBMFYSA-N 1 2 301.369 2.953 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000424531008 429149665 /nfs/dbraw/zinc/14/96/65/429149665.db2.gz LUWDHRKYKSWJTK-PMPSAXMXSA-N 1 2 317.433 2.938 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCC(OC)CC1)c1cccc(C#N)c1 ZINC000434863202 429114175 /nfs/dbraw/zinc/11/41/75/429114175.db2.gz XXKUGCIJNGXEDJ-IMRCBTMISA-N 1 2 316.401 2.567 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCC(OC)CC1)c1cccc(C#N)c1 ZINC000434863203 429114396 /nfs/dbraw/zinc/11/43/96/429114396.db2.gz XXKUGCIJNGXEDJ-QWFMPGPPSA-N 1 2 316.401 2.567 20 30 DFEDLO Cc1c2c(nc(SCC[N@@H+]3CCO[C@@H](C)C3)c1C#N)CCC2 ZINC000412985826 429118319 /nfs/dbraw/zinc/11/83/19/429118319.db2.gz GIGWASGZTRQHFK-LBPRGKRZSA-N 1 2 317.458 2.563 20 30 DFEDLO Cc1c2c(nc(SCC[N@H+]3CCO[C@@H](C)C3)c1C#N)CCC2 ZINC000412985826 429118323 /nfs/dbraw/zinc/11/83/23/429118323.db2.gz GIGWASGZTRQHFK-LBPRGKRZSA-N 1 2 317.458 2.563 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376505084 429123819 /nfs/dbraw/zinc/12/38/19/429123819.db2.gz FXSRDDSHTOJEEI-SWLSCSKDSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376505084 429123821 /nfs/dbraw/zinc/12/38/21/429123821.db2.gz FXSRDDSHTOJEEI-SWLSCSKDSA-N 1 2 321.218 2.932 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cc1C#N ZINC000435167708 429124869 /nfs/dbraw/zinc/12/48/69/429124869.db2.gz ZSBMPQKVKGSVLZ-UHFFFAOYSA-N 1 2 315.352 2.872 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000363928133 429141232 /nfs/dbraw/zinc/14/12/32/429141232.db2.gz YRJADTUWPVCGPS-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000363928133 429141236 /nfs/dbraw/zinc/14/12/36/429141236.db2.gz YRJADTUWPVCGPS-UHFFFAOYSA-N 1 2 317.408 2.778 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454734530 429171455 /nfs/dbraw/zinc/17/14/55/429171455.db2.gz AEQFNFYNHBMFPJ-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454734530 429171457 /nfs/dbraw/zinc/17/14/57/429171457.db2.gz AEQFNFYNHBMFPJ-HZPDHXFCSA-N 1 2 323.387 2.975 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454774304 429172960 /nfs/dbraw/zinc/17/29/60/429172960.db2.gz YWWAKRZYBATSPD-CQSZACIVSA-N 1 2 310.401 2.528 20 30 DFEDLO Cc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1C#N ZINC000488146731 429177500 /nfs/dbraw/zinc/17/75/00/429177500.db2.gz IDQOFRMOVZYBDE-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1C#N ZINC000488146731 429177505 /nfs/dbraw/zinc/17/75/05/429177505.db2.gz IDQOFRMOVZYBDE-ZDUSSCGKSA-N 1 2 311.351 2.935 20 30 DFEDLO C=CC(C)(C)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000454987002 429177563 /nfs/dbraw/zinc/17/75/63/429177563.db2.gz GLJBFXHODFPMCP-UHFFFAOYSA-N 1 2 318.421 2.560 20 30 DFEDLO N#Cc1cnccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000364326071 429183860 /nfs/dbraw/zinc/18/38/60/429183860.db2.gz OFGVMEHMNIPPKE-UHFFFAOYSA-N 1 2 307.401 2.763 20 30 DFEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000455565920 429192183 /nfs/dbraw/zinc/19/21/83/429192183.db2.gz XGUVZXXIRMUECV-HNNXBMFYSA-N 1 2 316.380 2.914 20 30 DFEDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439445184 429219129 /nfs/dbraw/zinc/21/91/29/429219129.db2.gz YGAGNLJCQRNCCR-UHFFFAOYSA-N 1 2 319.836 2.902 20 30 DFEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439445184 429219133 /nfs/dbraw/zinc/21/91/33/429219133.db2.gz YGAGNLJCQRNCCR-UHFFFAOYSA-N 1 2 319.836 2.902 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439454905 429219274 /nfs/dbraw/zinc/21/92/74/429219274.db2.gz OOBUJTSCFAGCED-OAHLLOKOSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439454905 429219281 /nfs/dbraw/zinc/21/92/81/429219281.db2.gz OOBUJTSCFAGCED-OAHLLOKOSA-N 1 2 319.836 2.948 20 30 DFEDLO Cc1cc(N2CCC(NC(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425208332 429246523 /nfs/dbraw/zinc/24/65/23/429246523.db2.gz MUQWALSDBZMUOH-UHFFFAOYSA-N 1 2 320.396 2.661 20 30 DFEDLO Cc1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c(C#N)c[nH+]1 ZINC000425211369 429247154 /nfs/dbraw/zinc/24/71/54/429247154.db2.gz TVJOYVPGRFNDRU-AWEZNQCLSA-N 1 2 318.384 2.688 20 30 DFEDLO Cc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)c(C#N)c[nH+]1 ZINC000425235136 429249333 /nfs/dbraw/zinc/24/93/33/429249333.db2.gz OSHCHJNWDRXEPF-CQSZACIVSA-N 1 2 310.405 2.818 20 30 DFEDLO Cc1cc(NCCOc2cccc(C(F)(F)F)n2)c(C#N)c[nH+]1 ZINC000425246919 429250820 /nfs/dbraw/zinc/25/08/20/429250820.db2.gz MSXUSVYKMMUQOU-UHFFFAOYSA-N 1 2 322.290 2.588 20 30 DFEDLO Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c[nH+]1 ZINC000425247710 429251205 /nfs/dbraw/zinc/25/12/05/429251205.db2.gz OYBWLFMYVUYNDW-WBVHZDCISA-N 1 2 315.323 2.904 20 30 DFEDLO Cc1cc(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c[nH+]1 ZINC000425247709 429251458 /nfs/dbraw/zinc/25/14/58/429251458.db2.gz OYBWLFMYVUYNDW-RDJZCZTQSA-N 1 2 315.323 2.904 20 30 DFEDLO Cc1cc(NCCc2cc(C(F)(F)F)ccn2)c(C#N)c[nH+]1 ZINC000425271982 429255652 /nfs/dbraw/zinc/25/56/52/429255652.db2.gz VZWDTUQFXWOYEZ-UHFFFAOYSA-N 1 2 306.291 2.752 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OC ZINC000365440711 429319166 /nfs/dbraw/zinc/31/91/66/429319166.db2.gz DKFUINUUJQNNER-FPTDNZKUSA-N 1 2 323.458 2.603 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1OC ZINC000365440711 429319170 /nfs/dbraw/zinc/31/91/70/429319170.db2.gz DKFUINUUJQNNER-FPTDNZKUSA-N 1 2 323.458 2.603 20 30 DFEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000448927635 429322022 /nfs/dbraw/zinc/32/20/22/429322022.db2.gz IWQHGRPKSGXBDO-KSSFIOAISA-N 1 2 312.417 2.628 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)(C)C ZINC000491229145 429336887 /nfs/dbraw/zinc/33/68/87/429336887.db2.gz FFXAJUXXLFLCNT-DOMZBBRYSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)(C)C ZINC000491229145 429336890 /nfs/dbraw/zinc/33/68/90/429336890.db2.gz FFXAJUXXLFLCNT-DOMZBBRYSA-N 1 2 301.434 2.802 20 30 DFEDLO C#C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000491264559 429340985 /nfs/dbraw/zinc/34/09/85/429340985.db2.gz HEUDCHNTFOFKSC-KRWDZBQOSA-N 1 2 324.428 2.779 20 30 DFEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(F)F ZINC000495960069 429301230 /nfs/dbraw/zinc/30/12/30/429301230.db2.gz DVSRKPZVRMSLPL-UTUOFQBUSA-N 1 2 317.380 2.817 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821405 429307134 /nfs/dbraw/zinc/30/71/34/429307134.db2.gz LAEUZMWGPGFPOK-RVKKMQEKSA-N 1 2 319.832 2.960 20 30 DFEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)O2 ZINC000447821405 429307137 /nfs/dbraw/zinc/30/71/37/429307137.db2.gz LAEUZMWGPGFPOK-RVKKMQEKSA-N 1 2 319.832 2.960 20 30 DFEDLO C#CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)C1CCCCC1 ZINC000490853948 429309611 /nfs/dbraw/zinc/30/96/11/429309611.db2.gz WOEKJDNNBBTKKT-UHFFFAOYSA-N 1 2 319.474 2.542 20 30 DFEDLO C#CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)C1CCCCC1 ZINC000490853948 429309613 /nfs/dbraw/zinc/30/96/13/429309613.db2.gz WOEKJDNNBBTKKT-UHFFFAOYSA-N 1 2 319.474 2.542 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772778 429316899 /nfs/dbraw/zinc/31/68/99/429316899.db2.gz UQKUGVYYRSLZRT-BFQNTYOBSA-N 1 2 318.446 2.863 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772778 429316903 /nfs/dbraw/zinc/31/69/03/429316903.db2.gz UQKUGVYYRSLZRT-BFQNTYOBSA-N 1 2 318.446 2.863 20 30 DFEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365420530 429316995 /nfs/dbraw/zinc/31/69/95/429316995.db2.gz RSCNVUFNAYDLFZ-UHFFFAOYSA-N 1 2 312.421 2.639 20 30 DFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365420530 429316998 /nfs/dbraw/zinc/31/69/98/429316998.db2.gz RSCNVUFNAYDLFZ-UHFFFAOYSA-N 1 2 312.421 2.639 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000491698985 429392277 /nfs/dbraw/zinc/39/22/77/429392277.db2.gz BUVJSKAWNUXNQY-AWEZNQCLSA-N 1 2 317.820 2.849 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000491698985 429392283 /nfs/dbraw/zinc/39/22/83/429392283.db2.gz BUVJSKAWNUXNQY-AWEZNQCLSA-N 1 2 317.820 2.849 20 30 DFEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)[C@H]1CCc2ccccc21 ZINC000491724835 429397775 /nfs/dbraw/zinc/39/77/75/429397775.db2.gz HCIJCZJYSCDHCH-IBGZPJMESA-N 1 2 306.413 2.811 20 30 DFEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)[C@H]1CCc2ccccc21 ZINC000491724835 429397779 /nfs/dbraw/zinc/39/77/79/429397779.db2.gz HCIJCZJYSCDHCH-IBGZPJMESA-N 1 2 306.413 2.811 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000491738247 429398615 /nfs/dbraw/zinc/39/86/15/429398615.db2.gz HWFFVESWGYVVHF-HZPDHXFCSA-N 1 2 324.428 2.857 20 30 DFEDLO C#CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000491771931 429405072 /nfs/dbraw/zinc/40/50/72/429405072.db2.gz RSZGZSQHDKROND-UHFFFAOYSA-N 1 2 300.365 2.841 20 30 DFEDLO C#CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000491771931 429405079 /nfs/dbraw/zinc/40/50/79/429405079.db2.gz RSZGZSQHDKROND-UHFFFAOYSA-N 1 2 300.365 2.841 20 30 DFEDLO CCc1nocc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000507546024 429351943 /nfs/dbraw/zinc/35/19/43/429351943.db2.gz FWTKMXSVIWAARX-UHFFFAOYSA-N 1 2 314.364 2.570 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000449242738 429365332 /nfs/dbraw/zinc/36/53/32/429365332.db2.gz YXJTTXGJWSSJDC-BBRMVZONSA-N 1 2 319.836 2.958 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491526196 429371189 /nfs/dbraw/zinc/37/11/89/429371189.db2.gz YABONNRNJXLIME-KRWDZBQOSA-N 1 2 310.401 2.533 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(Cl)cc1 ZINC000491538013 429372021 /nfs/dbraw/zinc/37/20/21/429372021.db2.gz WCHFNECGZRZQGD-KBPBESRZSA-N 1 2 313.788 2.974 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(Cl)cc1 ZINC000491538013 429372025 /nfs/dbraw/zinc/37/20/25/429372025.db2.gz WCHFNECGZRZQGD-KBPBESRZSA-N 1 2 313.788 2.974 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000515352185 429376533 /nfs/dbraw/zinc/37/65/33/429376533.db2.gz HWKFENYLRWJWQT-UHFFFAOYSA-N 1 2 310.405 2.753 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000515352185 429376537 /nfs/dbraw/zinc/37/65/37/429376537.db2.gz HWKFENYLRWJWQT-UHFFFAOYSA-N 1 2 310.405 2.753 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)c1ccc(F)cc1 ZINC000491619018 429379820 /nfs/dbraw/zinc/37/98/20/429379820.db2.gz FFRLZZLMIWUXIN-INIZCTEOSA-N 1 2 301.317 2.978 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(Cl)cc1F ZINC000491621301 429380387 /nfs/dbraw/zinc/38/03/87/429380387.db2.gz GWCKREBRYSCOGC-MRXNPFEDSA-N 1 2 321.783 2.786 20 30 DFEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1Cl ZINC000365830449 429381676 /nfs/dbraw/zinc/38/16/76/429381676.db2.gz GWRUSGZAETYJQM-GFCCVEGCSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1Cl ZINC000365830449 429381679 /nfs/dbraw/zinc/38/16/79/429381679.db2.gz GWRUSGZAETYJQM-GFCCVEGCSA-N 1 2 304.756 2.994 20 30 DFEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000491670305 429388057 /nfs/dbraw/zinc/38/80/57/429388057.db2.gz LXJUROKLCWHTHX-CABCVRRESA-N 1 2 314.433 2.520 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570395 429452408 /nfs/dbraw/zinc/45/24/08/429452408.db2.gz HOTRONYXRYZISA-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570395 429452411 /nfs/dbraw/zinc/45/24/11/429452411.db2.gz HOTRONYXRYZISA-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@]1(C#N)CC13CCCC3)CCC2 ZINC000519521532 429461076 /nfs/dbraw/zinc/46/10/76/429461076.db2.gz UAYORFHCOQQQJQ-RDTXWAMCSA-N 1 2 312.417 2.659 20 30 DFEDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366490647 429464625 /nfs/dbraw/zinc/46/46/25/429464625.db2.gz OZLNWPAMTBFZIV-JQHSSLGASA-N 1 2 313.445 2.776 20 30 DFEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366490647 429464630 /nfs/dbraw/zinc/46/46/30/429464630.db2.gz OZLNWPAMTBFZIV-JQHSSLGASA-N 1 2 313.445 2.776 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449427536 429413102 /nfs/dbraw/zinc/41/31/02/429413102.db2.gz SODHXGVMKDUWOQ-MOPGFXCFSA-N 1 2 310.372 2.858 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449427536 429413107 /nfs/dbraw/zinc/41/31/07/429413107.db2.gz SODHXGVMKDUWOQ-MOPGFXCFSA-N 1 2 310.372 2.858 20 30 DFEDLO N#C[C@@H]1N(Cc2cccc3[nH+]ccn32)CCC[C@@]12CCCCO2 ZINC000366151112 429426079 /nfs/dbraw/zinc/42/60/79/429426079.db2.gz INCCGHLQMAYKDK-WMZOPIPTSA-N 1 2 310.401 2.762 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427987679 429481465 /nfs/dbraw/zinc/48/14/65/429481465.db2.gz BRDRIPQVARDVGW-ZDUSSCGKSA-N 1 2 313.426 2.906 20 30 DFEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000519785748 429489085 /nfs/dbraw/zinc/48/90/85/429489085.db2.gz BEWKMUAZYVHOSI-NSHDSACASA-N 1 2 315.402 2.655 20 30 DFEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000519785748 429489091 /nfs/dbraw/zinc/48/90/91/429489091.db2.gz BEWKMUAZYVHOSI-NSHDSACASA-N 1 2 315.402 2.655 20 30 DFEDLO C=CCOc1ccccc1CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492539822 429562153 /nfs/dbraw/zinc/56/21/53/429562153.db2.gz VDMJBDDFAHIDIZ-KTKRTIGZSA-N 1 2 311.385 2.797 20 30 DFEDLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367129513 429582340 /nfs/dbraw/zinc/58/23/40/429582340.db2.gz SZHZKFJDPKZDBH-QGZVFWFLSA-N 1 2 310.401 2.909 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000367150704 429586968 /nfs/dbraw/zinc/58/69/68/429586968.db2.gz IRBYASXPMFMEKO-QGZVFWFLSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000367150704 429586973 /nfs/dbraw/zinc/58/69/73/429586973.db2.gz IRBYASXPMFMEKO-QGZVFWFLSA-N 1 2 305.805 2.573 20 30 DFEDLO N#CC1(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CCC1 ZINC000450263702 429586979 /nfs/dbraw/zinc/58/69/79/429586979.db2.gz REIAIBBXUZAJEE-GOSISDBHSA-N 1 2 323.440 2.730 20 30 DFEDLO N#CC1(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CCC1 ZINC000450263702 429586984 /nfs/dbraw/zinc/58/69/84/429586984.db2.gz REIAIBBXUZAJEE-GOSISDBHSA-N 1 2 323.440 2.730 20 30 DFEDLO C[C@@H](c1csnn1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000450262664 429587578 /nfs/dbraw/zinc/58/75/78/429587578.db2.gz UGLVORPUJUJOSI-ZDUSSCGKSA-N 1 2 313.430 2.683 20 30 DFEDLO C[C@@H](c1csnn1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000450262664 429587582 /nfs/dbraw/zinc/58/75/82/429587582.db2.gz UGLVORPUJUJOSI-ZDUSSCGKSA-N 1 2 313.430 2.683 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)s1 ZINC000449899170 429534812 /nfs/dbraw/zinc/53/48/12/429534812.db2.gz AVTZJFKKVPOQEU-GUYCJALGSA-N 1 2 317.458 2.504 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000521064567 429536887 /nfs/dbraw/zinc/53/68/87/429536887.db2.gz FCBNALVYWLSHGF-GFCCVEGCSA-N 1 2 312.373 2.886 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000521064567 429536896 /nfs/dbraw/zinc/53/68/96/429536896.db2.gz FCBNALVYWLSHGF-GFCCVEGCSA-N 1 2 312.373 2.886 20 30 DFEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000492852840 429629842 /nfs/dbraw/zinc/62/98/42/429629842.db2.gz ACMDYAXXHSPCFF-IHVVCDCBSA-N 1 2 320.274 2.823 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000492886610 429637474 /nfs/dbraw/zinc/63/74/74/429637474.db2.gz FSZAUNSOEGSSOH-LJFOUZCWSA-N 1 2 320.396 2.682 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000367226075 429599448 /nfs/dbraw/zinc/59/94/48/429599448.db2.gz VZJGJSQAURBLFY-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000367226075 429599450 /nfs/dbraw/zinc/59/94/50/429599450.db2.gz VZJGJSQAURBLFY-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000367477247 429657326 /nfs/dbraw/zinc/65/73/26/429657326.db2.gz OBPDJXKEWQFDGJ-GUDVDZBRSA-N 1 2 317.404 2.693 20 30 DFEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000367477247 429657331 /nfs/dbraw/zinc/65/73/31/429657331.db2.gz OBPDJXKEWQFDGJ-GUDVDZBRSA-N 1 2 317.404 2.693 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000367477246 429658337 /nfs/dbraw/zinc/65/83/37/429658337.db2.gz OBPDJXKEWQFDGJ-GBESFXJTSA-N 1 2 317.404 2.693 20 30 DFEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000367477246 429658341 /nfs/dbraw/zinc/65/83/41/429658341.db2.gz OBPDJXKEWQFDGJ-GBESFXJTSA-N 1 2 317.404 2.693 20 30 DFEDLO CCc1ccc([C@@H](C#N)NC(=O)/C=C/c2[nH+]ccn2CC)cc1 ZINC000493010684 429666667 /nfs/dbraw/zinc/66/66/67/429666667.db2.gz YVCFAXJRHFENEM-ZNFPLGDCSA-N 1 2 308.385 2.860 20 30 DFEDLO CC(C)(C)[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459397783 429698004 /nfs/dbraw/zinc/69/80/04/429698004.db2.gz JWISTHGGMXOCHR-HOCLYGCPSA-N 1 2 317.389 2.695 20 30 DFEDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459397783 429698008 /nfs/dbraw/zinc/69/80/08/429698008.db2.gz JWISTHGGMXOCHR-HOCLYGCPSA-N 1 2 317.389 2.695 20 30 DFEDLO CC#CCC[N@@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000475662855 429716577 /nfs/dbraw/zinc/71/65/77/429716577.db2.gz AVTXLHYALWPSJM-UHFFFAOYSA-N 1 2 324.218 2.838 20 30 DFEDLO CC#CCC[N@H+](CC(=O)OC)Cc1cccc(Br)c1 ZINC000475662855 429716580 /nfs/dbraw/zinc/71/65/80/429716580.db2.gz AVTXLHYALWPSJM-UHFFFAOYSA-N 1 2 324.218 2.838 20 30 DFEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127763 429725698 /nfs/dbraw/zinc/72/56/98/429725698.db2.gz KUJQSABQEDHPIL-OLZOCXBDSA-N 1 2 315.392 2.696 20 30 DFEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127763 429725702 /nfs/dbraw/zinc/72/57/02/429725702.db2.gz KUJQSABQEDHPIL-OLZOCXBDSA-N 1 2 315.392 2.696 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)OC ZINC000482441445 429726666 /nfs/dbraw/zinc/72/66/66/429726666.db2.gz VECIBASYQRWBSP-IKGGRYGDSA-N 1 2 321.392 2.796 20 30 DFEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000450987395 429744942 /nfs/dbraw/zinc/74/49/42/429744942.db2.gz LDYOQUSDLMVQKA-MRXNPFEDSA-N 1 2 304.365 2.887 20 30 DFEDLO C#Cc1ccc(C[NH2+][C@@H](c2nnc(C)n2C)c2ccccc2)cc1 ZINC000368018579 429767696 /nfs/dbraw/zinc/76/76/96/429767696.db2.gz JUSOXOVEROQGSD-LJQANCHMSA-N 1 2 316.408 2.984 20 30 DFEDLO N#C[C@H]1CC[C@@H](NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493770350 429826253 /nfs/dbraw/zinc/82/62/53/429826253.db2.gz JDBYPWCHCNVRSU-NBZFBGEYSA-N 1 2 306.369 2.694 20 30 DFEDLO CC[N@H+](CC#Cc1ccccc1Cl)C[C@@H](O)C(F)(F)F ZINC000494208367 429860045 /nfs/dbraw/zinc/86/00/45/429860045.db2.gz KRNBFXNMTVDYEL-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](O)C(F)(F)F ZINC000494208367 429860046 /nfs/dbraw/zinc/86/00/46/429860046.db2.gz KRNBFXNMTVDYEL-CYBMUJFWSA-N 1 2 305.727 2.937 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427936 429887948 /nfs/dbraw/zinc/88/79/48/429887948.db2.gz AVIBHPOOKMFFAR-NVXWUHKLSA-N 1 2 318.392 2.562 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427936 429887950 /nfs/dbraw/zinc/88/79/50/429887950.db2.gz AVIBHPOOKMFFAR-NVXWUHKLSA-N 1 2 318.392 2.562 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427931 429888369 /nfs/dbraw/zinc/88/83/69/429888369.db2.gz AVIBHPOOKMFFAR-DOTOQJQBSA-N 1 2 318.392 2.562 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CC3)CCO2)ccc1F ZINC000528427931 429888370 /nfs/dbraw/zinc/88/83/70/429888370.db2.gz AVIBHPOOKMFFAR-DOTOQJQBSA-N 1 2 318.392 2.562 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368792292 429894247 /nfs/dbraw/zinc/89/42/47/429894247.db2.gz VGTAKUAODMKVOH-KRWDZBQOSA-N 1 2 309.413 2.703 20 30 DFEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528734978 429911007 /nfs/dbraw/zinc/91/10/07/429911007.db2.gz UEZQZRLYMVEHJC-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO N#Cc1ccccc1OCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528734978 429911008 /nfs/dbraw/zinc/91/10/08/429911008.db2.gz UEZQZRLYMVEHJC-UHFFFAOYSA-N 1 2 320.396 2.663 20 30 DFEDLO CCCCCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000573629049 429968385 /nfs/dbraw/zinc/96/83/85/429968385.db2.gz LZKFKYVEGIJBDN-GOSISDBHSA-N 1 2 317.433 2.829 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(-c2ccccc2)cc1 ZINC000573835261 429987338 /nfs/dbraw/zinc/98/73/38/429987338.db2.gz MPKCXPJIRDRTEN-LJQANCHMSA-N 1 2 309.413 2.972 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(-c2ccccc2)cc1 ZINC000573835261 429987344 /nfs/dbraw/zinc/98/73/44/429987344.db2.gz MPKCXPJIRDRTEN-LJQANCHMSA-N 1 2 309.413 2.972 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000573782245 429981605 /nfs/dbraw/zinc/98/16/05/429981605.db2.gz IHAYGGHKQJWYPG-INIZCTEOSA-N 1 2 310.401 2.596 20 30 DFEDLO C#C[C@H](C)NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279788275 276795755 /nfs/dbraw/zinc/79/57/55/276795755.db2.gz BLFBOZYNNNFXCZ-ZDUSSCGKSA-N 1 2 310.401 2.713 20 30 DFEDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529664829 430047868 /nfs/dbraw/zinc/04/78/68/430047868.db2.gz DYKXQQSLQAXKMP-SFHVURJKSA-N 1 2 318.417 2.606 20 30 DFEDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529664829 430047870 /nfs/dbraw/zinc/04/78/70/430047870.db2.gz DYKXQQSLQAXKMP-SFHVURJKSA-N 1 2 318.417 2.606 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000574051698 430006073 /nfs/dbraw/zinc/00/60/73/430006073.db2.gz XGCWFHCNXFBERO-AWEZNQCLSA-N 1 2 305.447 2.567 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000574055892 430006852 /nfs/dbraw/zinc/00/68/52/430006852.db2.gz HYEAAXYERQYDNF-SFHVURJKSA-N 1 2 324.428 2.548 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000574055892 430006858 /nfs/dbraw/zinc/00/68/58/430006858.db2.gz HYEAAXYERQYDNF-SFHVURJKSA-N 1 2 324.428 2.548 20 30 DFEDLO C=CCCC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000637263927 430010502 /nfs/dbraw/zinc/01/05/02/430010502.db2.gz PJIVPHSUOKGMDU-CQSZACIVSA-N 1 2 302.422 2.634 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000574170554 430018024 /nfs/dbraw/zinc/01/80/24/430018024.db2.gz QUTNKEFLFPWMNH-CYBMUJFWSA-N 1 2 314.414 2.691 20 30 DFEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000575926013 430100265 /nfs/dbraw/zinc/10/02/65/430100265.db2.gz INULNMFTJKKHHA-DYVFJYSZSA-N 1 2 321.852 2.869 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C[C@@H](C)C#N)C1CC1)C2 ZINC000530289135 430111162 /nfs/dbraw/zinc/11/11/62/430111162.db2.gz RTRXFFHDXIPTLH-STQMWFEESA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C[C@@H](C)C#N)C1CC1)CC2 ZINC000530289135 430111165 /nfs/dbraw/zinc/11/11/65/430111165.db2.gz RTRXFFHDXIPTLH-STQMWFEESA-N 1 2 314.433 2.789 20 30 DFEDLO OC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C(F)(F)F ZINC000640044476 430069360 /nfs/dbraw/zinc/06/93/60/430069360.db2.gz TVMNKFQFWOEHLU-QWHCGFSZSA-N 1 2 317.738 2.794 20 30 DFEDLO OC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C(F)(F)F ZINC000640044476 430069365 /nfs/dbraw/zinc/06/93/65/430069365.db2.gz TVMNKFQFWOEHLU-QWHCGFSZSA-N 1 2 317.738 2.794 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025450 430157320 /nfs/dbraw/zinc/15/73/20/430157320.db2.gz GQTFXHPUMWWSHY-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025450 430157324 /nfs/dbraw/zinc/15/73/24/430157324.db2.gz GQTFXHPUMWWSHY-CQSZACIVSA-N 1 2 312.398 2.790 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000535798148 430169470 /nfs/dbraw/zinc/16/94/70/430169470.db2.gz QJLIMLVKYJDUHI-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CC[N@H+](Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000535798148 430169476 /nfs/dbraw/zinc/16/94/76/430169476.db2.gz QJLIMLVKYJDUHI-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577960838 430118397 /nfs/dbraw/zinc/11/83/97/430118397.db2.gz AMRUBICEOUWASE-JSGCOSHPSA-N 1 2 311.389 2.686 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000580090224 430129015 /nfs/dbraw/zinc/12/90/15/430129015.db2.gz OXVHARHNUAZOEC-SJORKVTESA-N 1 2 301.434 2.824 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2nccc(C#N)c2Cl)CC1(C)C ZINC000562539522 430143486 /nfs/dbraw/zinc/14/34/86/430143486.db2.gz OJBQOZUHFURMHP-GFCCVEGCSA-N 1 2 301.781 2.928 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563372665 430182598 /nfs/dbraw/zinc/18/25/98/430182598.db2.gz AETSWTOTMNDBNN-AWEZNQCLSA-N 1 2 308.385 2.675 20 30 DFEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563372665 430182603 /nfs/dbraw/zinc/18/26/03/430182603.db2.gz AETSWTOTMNDBNN-AWEZNQCLSA-N 1 2 308.385 2.675 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000565179458 430203905 /nfs/dbraw/zinc/20/39/05/430203905.db2.gz ICGWXRTXKGSIQG-IINYFYTJSA-N 1 2 302.765 2.623 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000565179458 430203909 /nfs/dbraw/zinc/20/39/09/430203909.db2.gz ICGWXRTXKGSIQG-IINYFYTJSA-N 1 2 302.765 2.623 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000566308264 430252039 /nfs/dbraw/zinc/25/20/39/430252039.db2.gz GEKJJJMBVUIHRB-INIZCTEOSA-N 1 2 319.836 2.623 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566343262 430252833 /nfs/dbraw/zinc/25/28/33/430252833.db2.gz OYOZSLIJYBKYCK-AWEZNQCLSA-N 1 2 317.389 2.524 20 30 DFEDLO C=CCCCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000640936207 430285157 /nfs/dbraw/zinc/28/51/57/430285157.db2.gz QZBAELOFOYUTFI-UHFFFAOYSA-N 1 2 311.433 2.567 20 30 DFEDLO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567994167 430303442 /nfs/dbraw/zinc/30/34/42/430303442.db2.gz FHPBLVZARFKMQF-UHFFFAOYSA-N 1 2 300.318 2.649 20 30 DFEDLO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567994167 430303445 /nfs/dbraw/zinc/30/34/45/430303445.db2.gz FHPBLVZARFKMQF-UHFFFAOYSA-N 1 2 300.318 2.649 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(C)C)nc2CC)nn1 ZINC000641114397 430331306 /nfs/dbraw/zinc/33/13/06/430331306.db2.gz KORMMJWSGNARKU-UHFFFAOYSA-N 1 2 311.433 2.520 20 30 DFEDLO Cc1cc([C@H]2C[N@H+](Cc3ccc(C#N)cn3)CCO2)ccc1F ZINC000583348202 430387075 /nfs/dbraw/zinc/38/70/75/430387075.db2.gz CCVAGJHZCPDPNV-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO Cc1cc([C@H]2C[N@@H+](Cc3ccc(C#N)cn3)CCO2)ccc1F ZINC000583348202 430387079 /nfs/dbraw/zinc/38/70/79/430387079.db2.gz CCVAGJHZCPDPNV-GOSISDBHSA-N 1 2 311.360 2.974 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635889408 430403772 /nfs/dbraw/zinc/40/37/72/430403772.db2.gz JVDJJKLVDMTTTJ-JYJNAYRXSA-N 1 2 305.422 2.568 20 30 DFEDLO CC(C)[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000583938440 430444229 /nfs/dbraw/zinc/44/42/29/430444229.db2.gz XLCZVSZDUYFVFJ-AEFFLSMTSA-N 1 2 301.434 2.776 20 30 DFEDLO Cc1cc(Nc2ccnc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000584004526 430449240 /nfs/dbraw/zinc/44/92/40/430449240.db2.gz NPDRBFUTPLQIJX-CYBMUJFWSA-N 1 2 308.389 2.596 20 30 DFEDLO N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000584003588 430450472 /nfs/dbraw/zinc/45/04/72/430450472.db2.gz JWVRIQIPWHFKRG-LBPRGKRZSA-N 1 2 314.776 2.804 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000584181132 430467796 /nfs/dbraw/zinc/46/77/96/430467796.db2.gz PLIGNGPZISHOMV-QWRGUYRKSA-N 1 2 311.332 2.897 20 30 DFEDLO N#Cc1nc(Nc2ccc(N3CCCC3)[nH+]c2)sc1Cl ZINC000590570180 430487149 /nfs/dbraw/zinc/48/71/49/430487149.db2.gz UWWKQIQDJSJOPB-UHFFFAOYSA-N 1 2 305.794 3.407 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636251353 430494697 /nfs/dbraw/zinc/49/46/97/430494697.db2.gz FNGIYBBVIPIASH-NWDGAFQWSA-N 1 2 301.312 2.801 20 30 DFEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000569931845 430498566 /nfs/dbraw/zinc/49/85/66/430498566.db2.gz NPLZRAAHKAEFJS-JTQLQIEISA-N 1 2 300.387 2.895 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000569989921 430504152 /nfs/dbraw/zinc/50/41/52/430504152.db2.gz IGPLKTWWIJBCEY-HKUYNNGSSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000569989921 430504155 /nfs/dbraw/zinc/50/41/55/430504155.db2.gz IGPLKTWWIJBCEY-HKUYNNGSSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1cnnc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000596285792 430512801 /nfs/dbraw/zinc/51/28/01/430512801.db2.gz DDJPAAWJTXJKFB-ZIAGYGMSSA-N 1 2 318.384 3.363 20 30 DFEDLO C=C[C@H](CC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000570166409 430520085 /nfs/dbraw/zinc/52/00/85/430520085.db2.gz OTTVCZFIONZZFZ-UKRRQHHQSA-N 1 2 308.372 2.707 20 30 DFEDLO COCCCCNc1ccc(-c2ccc(OC)cc2C#N)c[nH+]1 ZINC000600789680 430533955 /nfs/dbraw/zinc/53/39/55/430533955.db2.gz HKKBKLTXMCZTMX-UHFFFAOYSA-N 1 2 311.385 3.467 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639608999 430680370 /nfs/dbraw/zinc/68/03/70/430680370.db2.gz PNQMAXGXHBHFRP-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639608999 430680373 /nfs/dbraw/zinc/68/03/73/430680373.db2.gz PNQMAXGXHBHFRP-UHFFFAOYSA-N 1 2 302.374 2.985 20 30 DFEDLO CCOC(=O)C1([N@H+](C)Cc2ccc(C#N)cn2)CCCCC1 ZINC000572539058 430690538 /nfs/dbraw/zinc/69/05/38/430690538.db2.gz TZHHLDQPRURYIF-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO CCOC(=O)C1([N@@H+](C)Cc2ccc(C#N)cn2)CCCCC1 ZINC000572539058 430690539 /nfs/dbraw/zinc/69/05/39/430690539.db2.gz TZHHLDQPRURYIF-UHFFFAOYSA-N 1 2 301.390 2.651 20 30 DFEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000556811884 430693795 /nfs/dbraw/zinc/69/37/95/430693795.db2.gz KTPJIRRKVZDQTH-CQSZACIVSA-N 1 2 310.463 2.831 20 30 DFEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000556811884 430693796 /nfs/dbraw/zinc/69/37/96/430693796.db2.gz KTPJIRRKVZDQTH-CQSZACIVSA-N 1 2 310.463 2.831 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000572977544 430698935 /nfs/dbraw/zinc/69/89/35/430698935.db2.gz ASCXRJVQZVFXPV-HNNXBMFYSA-N 1 2 323.400 2.503 20 30 DFEDLO C=C(C)CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651132077 430713138 /nfs/dbraw/zinc/71/31/38/430713138.db2.gz IETCSUBFWYDVPC-MRXNPFEDSA-N 1 2 312.417 2.969 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000644483051 430736826 /nfs/dbraw/zinc/73/68/26/430736826.db2.gz PJMUKKBGLOIUAP-VYDXJSESSA-N 1 2 317.433 2.938 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533344 430751547 /nfs/dbraw/zinc/75/15/47/430751547.db2.gz BPJFQMGVXMWOHW-NWDGAFQWSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533344 430751552 /nfs/dbraw/zinc/75/15/52/430751552.db2.gz BPJFQMGVXMWOHW-NWDGAFQWSA-N 1 2 315.339 2.959 20 30 DFEDLO C=CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661569479 430759542 /nfs/dbraw/zinc/75/95/42/430759542.db2.gz QCDNRPBRRZOLKL-AWEZNQCLSA-N 1 2 302.422 2.685 20 30 DFEDLO C=CCCCCCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000654666569 430773309 /nfs/dbraw/zinc/77/33/09/430773309.db2.gz PKEKYVORPKEYIM-GOEBONIOSA-N 1 2 320.437 2.686 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCCc1cn2c(cccc2C)[nH+]1)OCC ZINC000648709599 430862738 /nfs/dbraw/zinc/86/27/38/430862738.db2.gz AWOSFVILMSUEQM-INIZCTEOSA-N 1 2 315.417 2.673 20 30 DFEDLO C=CCCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665255190 430872540 /nfs/dbraw/zinc/87/25/40/430872540.db2.gz LBNBQLIDLMWAFQ-AWEZNQCLSA-N 1 2 322.453 2.525 20 30 DFEDLO C=CC[C@H]1CC[C@@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000651815267 430886458 /nfs/dbraw/zinc/88/64/58/430886458.db2.gz FJYUPZPROLLKOL-MAUKXSAKSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@H]1CC[C@@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000651815267 430886460 /nfs/dbraw/zinc/88/64/60/430886460.db2.gz FJYUPZPROLLKOL-MAUKXSAKSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@H]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000651815269 430886813 /nfs/dbraw/zinc/88/68/13/430886813.db2.gz FJYUPZPROLLKOL-YJBOKZPZSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CC[C@H]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000651815269 430886818 /nfs/dbraw/zinc/88/68/18/430886818.db2.gz FJYUPZPROLLKOL-YJBOKZPZSA-N 1 2 313.445 2.775 20 30 DFEDLO C=CCCCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645328027 430973677 /nfs/dbraw/zinc/97/36/77/430973677.db2.gz YHDZZHQUORTQNW-UHFFFAOYSA-N 1 2 300.406 2.841 20 30 DFEDLO C=CCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665625706 430985891 /nfs/dbraw/zinc/98/58/91/430985891.db2.gz KCBDUYDJFDXIDE-HUUCEWRRSA-N 1 2 317.433 2.993 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364161 431060111 /nfs/dbraw/zinc/06/01/11/431060111.db2.gz NQFZDQDETAISKA-HEHGZKQESA-N 1 2 318.408 2.544 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364161 431060116 /nfs/dbraw/zinc/06/01/16/431060116.db2.gz NQFZDQDETAISKA-HEHGZKQESA-N 1 2 318.408 2.544 20 30 DFEDLO C=CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H](C)COC ZINC000665951852 431074424 /nfs/dbraw/zinc/07/44/24/431074424.db2.gz UUAPANIKAAOHJS-CYBMUJFWSA-N 1 2 302.378 2.698 20 30 DFEDLO C=CCOc1ccccc1C[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655819700 431167855 /nfs/dbraw/zinc/16/78/55/431167855.db2.gz NMTIGKLMBMDFFA-HNNXBMFYSA-N 1 2 314.389 2.511 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000660315901 431373439 /nfs/dbraw/zinc/37/34/39/431373439.db2.gz BTPCXEUSAGXAPY-HNNXBMFYSA-N 1 2 316.449 2.760 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)nn1 ZINC000653590077 431450185 /nfs/dbraw/zinc/45/01/85/431450185.db2.gz MPLWGJUJKYKXSW-UHFFFAOYSA-N 1 2 324.428 2.658 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)nn1 ZINC000653590077 431450196 /nfs/dbraw/zinc/45/01/96/431450196.db2.gz MPLWGJUJKYKXSW-UHFFFAOYSA-N 1 2 324.428 2.658 20 30 DFEDLO C=CCCn1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)nn1 ZINC000653592956 431450432 /nfs/dbraw/zinc/45/04/32/431450432.db2.gz AFJGSONWSWUTAV-UHFFFAOYSA-N 1 2 318.371 2.807 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)nn1 ZINC000653663121 431479648 /nfs/dbraw/zinc/47/96/48/431479648.db2.gz DAWIGXGSLHMSFY-QGZVFWFLSA-N 1 2 300.381 2.925 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)nn1 ZINC000653663121 431479654 /nfs/dbraw/zinc/47/96/54/431479654.db2.gz DAWIGXGSLHMSFY-QGZVFWFLSA-N 1 2 300.381 2.925 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000653552269 431430945 /nfs/dbraw/zinc/43/09/45/431430945.db2.gz NQNBNSCMKGDZOU-MRXNPFEDSA-N 1 2 314.437 2.542 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000653552269 431430951 /nfs/dbraw/zinc/43/09/51/431430951.db2.gz NQNBNSCMKGDZOU-MRXNPFEDSA-N 1 2 314.437 2.542 20 30 DFEDLO C=CCCn1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)nn1 ZINC000653663120 431481522 /nfs/dbraw/zinc/48/15/22/431481522.db2.gz DAWIGXGSLHMSFY-KRWDZBQOSA-N 1 2 300.381 2.925 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)nn1 ZINC000653663120 431481529 /nfs/dbraw/zinc/48/15/29/431481529.db2.gz DAWIGXGSLHMSFY-KRWDZBQOSA-N 1 2 300.381 2.925 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653835994 431549275 /nfs/dbraw/zinc/54/92/75/431549275.db2.gz SJDOETZALYSXSF-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653835994 431549280 /nfs/dbraw/zinc/54/92/80/431549280.db2.gz SJDOETZALYSXSF-ZDUSSCGKSA-N 1 2 312.207 2.581 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)nn1 ZINC000657423785 431741981 /nfs/dbraw/zinc/74/19/81/431741981.db2.gz MUOPCWPVXFRHKC-UHFFFAOYSA-N 1 2 315.421 2.716 20 30 DFEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000657383668 431717113 /nfs/dbraw/zinc/71/71/13/431717113.db2.gz LJTVYYDNGIUZDW-UHFFFAOYSA-N 1 2 319.330 2.989 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)[C@@H](C)COC ZINC000661242685 431792602 /nfs/dbraw/zinc/79/26/02/431792602.db2.gz DOSZTZCYFSAKNX-AWEZNQCLSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)[C@@H](C)COC ZINC000661242685 431792610 /nfs/dbraw/zinc/79/26/10/431792610.db2.gz DOSZTZCYFSAKNX-AWEZNQCLSA-N 1 2 306.406 2.547 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)COC ZINC000661242844 431792786 /nfs/dbraw/zinc/79/27/86/431792786.db2.gz UTIXRXBCRYCKRO-GFCCVEGCSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)COC ZINC000661242844 431792791 /nfs/dbraw/zinc/79/27/91/431792791.db2.gz UTIXRXBCRYCKRO-GFCCVEGCSA-N 1 2 319.430 2.758 20 30 DFEDLO C=CC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)[C@@H](C)COC ZINC000661245550 431796408 /nfs/dbraw/zinc/79/64/08/431796408.db2.gz BVWFMJHBKAAEIJ-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)[C@@H](C)COC ZINC000661245550 431796413 /nfs/dbraw/zinc/79/64/13/431796413.db2.gz BVWFMJHBKAAEIJ-ZDUSSCGKSA-N 1 2 317.389 2.768 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661325982 431823613 /nfs/dbraw/zinc/82/36/13/431823613.db2.gz NSTJPVWLKBTSKA-GDBMZVCRSA-N 1 2 312.417 2.968 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000664575398 431823864 /nfs/dbraw/zinc/82/38/64/431823864.db2.gz ACYXJJWOQPAUPP-TXEJJXNPSA-N 1 2 312.421 2.851 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)c(C#N)c1C ZINC000378254860 294037366 /nfs/dbraw/zinc/03/73/66/294037366.db2.gz TYEGLCCHBFPLAH-ZFWWWQNUSA-N 1 2 301.390 2.971 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3CCCCC[C@@H]32)c(C#N)c1C ZINC000378254860 294037368 /nfs/dbraw/zinc/03/73/68/294037368.db2.gz TYEGLCCHBFPLAH-ZFWWWQNUSA-N 1 2 301.390 2.971 20 30 DFEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000158359413 295362037 /nfs/dbraw/zinc/36/20/37/295362037.db2.gz YFLXYSMNZSWIEJ-GFCCVEGCSA-N 1 2 305.341 2.563 20 30 DFEDLO COc1nccnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000449041981 297396237 /nfs/dbraw/zinc/39/62/37/297396237.db2.gz PTQFEJSVVRUKTO-UHFFFAOYSA-N 1 2 306.369 2.646 20 30 DFEDLO COc1nccnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000449041981 297396239 /nfs/dbraw/zinc/39/62/39/297396239.db2.gz PTQFEJSVVRUKTO-UHFFFAOYSA-N 1 2 306.369 2.646 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000535965463 301265724 /nfs/dbraw/zinc/26/57/24/301265724.db2.gz XMPRECQKKMBSFU-SFHVURJKSA-N 1 2 324.380 2.510 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000535965463 301265726 /nfs/dbraw/zinc/26/57/26/301265726.db2.gz XMPRECQKKMBSFU-SFHVURJKSA-N 1 2 324.380 2.510 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)C1CCCCC1 ZINC000542617585 301417083 /nfs/dbraw/zinc/41/70/83/301417083.db2.gz CLHKKRSZYRHLLK-KRWDZBQOSA-N 1 2 316.401 2.649 20 30 DFEDLO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000561496749 301937920 /nfs/dbraw/zinc/93/79/20/301937920.db2.gz VJFASRSRKAVSPJ-MLGOLLRUSA-N 1 2 323.400 2.803 20 30 DFEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000567014804 302329401 /nfs/dbraw/zinc/32/94/01/302329401.db2.gz FGZVPOSIQVIJDY-UHFFFAOYSA-N 1 2 319.412 2.849 20 30 DFEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000567014804 302329404 /nfs/dbraw/zinc/32/94/04/302329404.db2.gz FGZVPOSIQVIJDY-UHFFFAOYSA-N 1 2 319.412 2.849 20 30 DFEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000184219787 316162326 /nfs/dbraw/zinc/16/23/26/316162326.db2.gz UYEMDHDDZBWBPW-NSHDSACASA-N 1 2 300.387 2.613 20 30 DFEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000184719604 316172952 /nfs/dbraw/zinc/17/29/52/316172952.db2.gz MOZCYZXARFUDDD-LLVKDONJSA-N 1 2 314.414 2.866 20 30 DFEDLO COc1cc(Br)c(C[NH2+]CC2(C#N)CC2)cc1O ZINC000570504730 332765196 /nfs/dbraw/zinc/76/51/96/332765196.db2.gz LDTUIDYZWQJQIM-UHFFFAOYSA-N 1 2 311.179 2.557 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc1 ZINC000577623063 318206095 /nfs/dbraw/zinc/20/60/95/318206095.db2.gz CJDHWMGUQIWXET-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc1 ZINC000577623063 318206097 /nfs/dbraw/zinc/20/60/97/318206097.db2.gz CJDHWMGUQIWXET-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOCC23CCCCC3)cc1 ZINC000577818084 318218340 /nfs/dbraw/zinc/21/83/40/318218340.db2.gz PBCYOSYFPFSEMV-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000577818084 318218342 /nfs/dbraw/zinc/21/83/42/318218342.db2.gz PBCYOSYFPFSEMV-UHFFFAOYSA-N 1 2 313.401 2.532 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000577843745 318220752 /nfs/dbraw/zinc/22/07/52/318220752.db2.gz DENAYHZRQDQOKT-DOMZBBRYSA-N 1 2 323.400 2.541 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000577843745 318220753 /nfs/dbraw/zinc/22/07/53/318220753.db2.gz DENAYHZRQDQOKT-DOMZBBRYSA-N 1 2 323.400 2.541 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000297751543 331606611 /nfs/dbraw/zinc/60/66/11/331606611.db2.gz DTJZLHODIQKUCO-ZDUSSCGKSA-N 1 2 304.390 2.705 20 30 DFEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000188697968 331680529 /nfs/dbraw/zinc/68/05/29/331680529.db2.gz TZARRHRFHORXKS-SFHVURJKSA-N 1 2 313.401 2.717 20 30 DFEDLO C=CCSCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000299316037 331685019 /nfs/dbraw/zinc/68/50/19/331685019.db2.gz VRUYNNARQZMACQ-UHFFFAOYSA-N 1 2 303.431 2.634 20 30 DFEDLO Cc1ccc(C(N)=[NH+]OCCCOCC(F)(F)F)cc1F ZINC000077238993 331958015 /nfs/dbraw/zinc/95/80/15/331958015.db2.gz HQBQTVFRJAOLAF-UHFFFAOYSA-N 1 2 308.275 2.740 20 30 DFEDLO N#CCCC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000564915859 331977033 /nfs/dbraw/zinc/97/70/33/331977033.db2.gz DKJUVSZWFFJOJX-UHFFFAOYSA-N 1 2 302.300 2.690 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1OCCCC#N ZINC000091815071 332112582 /nfs/dbraw/zinc/11/25/82/332112582.db2.gz ZOBINBMLAMHBPH-AWEZNQCLSA-N 1 2 304.390 2.598 20 30 DFEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1OCCCC#N ZINC000091815071 332112583 /nfs/dbraw/zinc/11/25/83/332112583.db2.gz ZOBINBMLAMHBPH-AWEZNQCLSA-N 1 2 304.390 2.598 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000569595254 332188718 /nfs/dbraw/zinc/18/87/18/332188718.db2.gz JBQNHUHVNBQAGV-YOEHRIQHSA-N 1 2 311.385 2.502 20 30 DFEDLO C=C(C)CN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000181434276 332194838 /nfs/dbraw/zinc/19/48/38/332194838.db2.gz XFOSESNAYNEXEI-CQSZACIVSA-N 1 2 311.376 2.785 20 30 DFEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000292781937 335095293 /nfs/dbraw/zinc/09/52/93/335095293.db2.gz MCSHZFFIKAJGFE-UHFFFAOYSA-N 1 2 307.463 2.698 20 30 DFEDLO CC(=O)N1CCC(C[NH+]=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000105356792 332251471 /nfs/dbraw/zinc/25/14/71/332251471.db2.gz AVHTYPSBAQMYPD-XDHOZWIPSA-N 1 2 311.385 2.618 20 30 DFEDLO COC(=O)CSCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000105570371 332252487 /nfs/dbraw/zinc/25/24/87/332252487.db2.gz MVXUNOWOZIWHFN-LICLKQGHSA-N 1 2 303.383 2.871 20 30 DFEDLO C[C@H](C#N)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000368088425 332268314 /nfs/dbraw/zinc/26/83/14/332268314.db2.gz FKUFDRVJERGBTQ-UKRRQHHQSA-N 1 2 307.438 2.867 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000293017604 335099393 /nfs/dbraw/zinc/09/93/93/335099393.db2.gz FDGXIQYPUMJNPS-UHFFFAOYSA-N 1 2 324.428 2.691 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000293017604 335099394 /nfs/dbraw/zinc/09/93/94/335099394.db2.gz FDGXIQYPUMJNPS-UHFFFAOYSA-N 1 2 324.428 2.691 20 30 DFEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000062465480 335099959 /nfs/dbraw/zinc/09/99/59/335099959.db2.gz YIICPKZAWATUEC-MRXNPFEDSA-N 1 2 312.417 2.712 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000293144480 335101105 /nfs/dbraw/zinc/10/11/05/335101105.db2.gz NRUFIRDFHZVAPS-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000293144480 335101106 /nfs/dbraw/zinc/10/11/06/335101106.db2.gz NRUFIRDFHZVAPS-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO CC#CC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000293339035 335104292 /nfs/dbraw/zinc/10/42/92/335104292.db2.gz YPWSYUXKLPJEBP-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000293339035 335104295 /nfs/dbraw/zinc/10/42/95/335104295.db2.gz YPWSYUXKLPJEBP-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO CCc1noc(C)c1CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000122881806 332414952 /nfs/dbraw/zinc/41/49/52/332414952.db2.gz NHACIXAPFFUWRA-UHFFFAOYSA-N 1 2 303.362 2.586 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185040892 335110562 /nfs/dbraw/zinc/11/05/62/335110562.db2.gz AVGRRFLFOOFOHT-SJLPKXTDSA-N 1 2 316.445 2.778 20 30 DFEDLO C=CCOCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000293682107 335112268 /nfs/dbraw/zinc/11/22/68/335112268.db2.gz APLLHELUPSBONS-LBPRGKRZSA-N 1 2 310.419 2.578 20 30 DFEDLO C=CCOCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000293682107 335112270 /nfs/dbraw/zinc/11/22/70/335112270.db2.gz APLLHELUPSBONS-LBPRGKRZSA-N 1 2 310.419 2.578 20 30 DFEDLO C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000564730900 332547599 /nfs/dbraw/zinc/54/75/99/332547599.db2.gz IGDUGXJHEPLKTG-RISCZKNCSA-N 1 2 302.765 2.869 20 30 DFEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127717 335115103 /nfs/dbraw/zinc/11/51/03/335115103.db2.gz KFDALDWVSHMOBH-LAJNKCICSA-N 1 2 317.376 2.756 20 30 DFEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185127717 335115104 /nfs/dbraw/zinc/11/51/04/335115104.db2.gz KFDALDWVSHMOBH-LAJNKCICSA-N 1 2 317.376 2.756 20 30 DFEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1[nH+]ccn1CC(F)(F)F ZINC000171541454 333050525 /nfs/dbraw/zinc/05/05/25/333050525.db2.gz OAXDSUYLWYLUMA-SNAWJCMRSA-N 1 2 312.295 2.692 20 30 DFEDLO CCC(C)(C)NC(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178133034 333135326 /nfs/dbraw/zinc/13/53/26/333135326.db2.gz WFFRJYLFLFVXJJ-JTQLQIEISA-N 1 2 311.813 2.670 20 30 DFEDLO C#CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364033343 333223215 /nfs/dbraw/zinc/22/32/15/333223215.db2.gz LUDHTIOXXGDPAX-MRXNPFEDSA-N 1 2 307.397 2.642 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C/c2cc(OC)ccc2O)C1 ZINC000497244587 333226864 /nfs/dbraw/zinc/22/68/64/333226864.db2.gz PUIHITKVYGUKRS-RAPDUPMSSA-N 1 2 320.389 2.687 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000294736469 335128929 /nfs/dbraw/zinc/12/89/29/335128929.db2.gz GTIMNXXWTNPTQK-UHFFFAOYSA-N 1 2 316.405 2.791 20 30 DFEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000193299674 333301204 /nfs/dbraw/zinc/30/12/04/333301204.db2.gz CGKVHHWTWIIASZ-KGLIPLIRSA-N 1 2 311.389 2.556 20 30 DFEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000193299674 333301205 /nfs/dbraw/zinc/30/12/05/333301205.db2.gz CGKVHHWTWIIASZ-KGLIPLIRSA-N 1 2 311.389 2.556 20 30 DFEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000193299640 333301397 /nfs/dbraw/zinc/30/13/97/333301397.db2.gz CGKVHHWTWIIASZ-KBPBESRZSA-N 1 2 311.389 2.556 20 30 DFEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000193299640 333301398 /nfs/dbraw/zinc/30/13/98/333301398.db2.gz CGKVHHWTWIIASZ-KBPBESRZSA-N 1 2 311.389 2.556 20 30 DFEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nccs1 ZINC000184415043 333358470 /nfs/dbraw/zinc/35/84/70/333358470.db2.gz CWXAZIVKRPIOHS-ZDUSSCGKSA-N 1 2 314.414 2.741 20 30 DFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C(C)C)CC1 ZINC000296088497 335141356 /nfs/dbraw/zinc/14/13/56/335141356.db2.gz UBLHEBYOGDRWEH-UHFFFAOYSA-N 1 2 323.444 2.590 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000185555778 335139274 /nfs/dbraw/zinc/13/92/74/335139274.db2.gz LSFVQMNWQYCBBN-KRWDZBQOSA-N 1 2 316.445 2.954 20 30 DFEDLO C=C(C)C[N@@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296217995 335140479 /nfs/dbraw/zinc/14/04/79/335140479.db2.gz MQTJHSKNVULGKS-CQSZACIVSA-N 1 2 314.223 2.999 20 30 DFEDLO C=C(C)C[N@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296217995 335140480 /nfs/dbraw/zinc/14/04/80/335140480.db2.gz MQTJHSKNVULGKS-CQSZACIVSA-N 1 2 314.223 2.999 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000338291218 333479696 /nfs/dbraw/zinc/47/96/96/333479696.db2.gz LDIJMRXEMDVKKI-ZDUSSCGKSA-N 1 2 310.401 2.749 20 30 DFEDLO C#C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000296631631 335145116 /nfs/dbraw/zinc/14/51/16/335145116.db2.gz NMXUHMVCMVJWCI-QWHCGFSZSA-N 1 2 302.422 2.561 20 30 DFEDLO C#CCO[C@@H](C)c1nc(Cn2c(CC)[nH+]c3ccccc32)no1 ZINC000296660766 335145366 /nfs/dbraw/zinc/14/53/66/335145366.db2.gz FDXGBRVHRDHGKW-LBPRGKRZSA-N 1 2 310.357 2.741 20 30 DFEDLO C#CCO[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000296542184 335146158 /nfs/dbraw/zinc/14/61/58/335146158.db2.gz NZVJIMNSRCHIIV-AWEZNQCLSA-N 1 2 321.380 2.579 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)C1CCOCC1 ZINC000411527745 333688435 /nfs/dbraw/zinc/68/84/35/333688435.db2.gz QVGBNOIMVCWOCZ-MRXNPFEDSA-N 1 2 322.449 2.798 20 30 DFEDLO N#CCCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411727138 333703776 /nfs/dbraw/zinc/70/37/76/333703776.db2.gz ZPTPYAAFIIXEFP-UHFFFAOYSA-N 1 2 323.194 2.654 20 30 DFEDLO CC#CCCCC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000185989317 335155565 /nfs/dbraw/zinc/15/55/65/335155565.db2.gz AFHRBRLDSUHJIT-UHFFFAOYSA-N 1 2 311.389 2.720 20 30 DFEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442827521 335157488 /nfs/dbraw/zinc/15/74/88/335157488.db2.gz QBBRJNNMCKCCIR-QZTJIDSGSA-N 1 2 324.465 2.511 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271133738 334018886 /nfs/dbraw/zinc/01/88/86/334018886.db2.gz QCWCSCKVNWGERL-LBPRGKRZSA-N 1 2 313.361 2.587 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271133738 334018888 /nfs/dbraw/zinc/01/88/88/334018888.db2.gz QCWCSCKVNWGERL-LBPRGKRZSA-N 1 2 313.361 2.587 20 30 DFEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272495989 334035310 /nfs/dbraw/zinc/03/53/10/334035310.db2.gz CXPZLXANXVLYIX-HNNXBMFYSA-N 1 2 311.429 2.980 20 30 DFEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272508026 334036085 /nfs/dbraw/zinc/03/60/85/334036085.db2.gz FUBKGKPDNYQPGQ-LLVKDONJSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CCC[C@H](C#N)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518123 334036405 /nfs/dbraw/zinc/03/64/05/334036405.db2.gz LAEJAIOTUUTRCM-OAHLLOKOSA-N 1 2 305.385 2.674 20 30 DFEDLO CC1(C#N)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000272568205 334037457 /nfs/dbraw/zinc/03/74/57/334037457.db2.gz VGMQCJLTQZIUKO-UHFFFAOYSA-N 1 2 308.385 2.697 20 30 DFEDLO N#CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274135393 334055165 /nfs/dbraw/zinc/05/51/65/334055165.db2.gz COBHYFPLJJJHBJ-CYBMUJFWSA-N 1 2 309.772 2.646 20 30 DFEDLO CC[C@H](CC#N)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000274570158 334063394 /nfs/dbraw/zinc/06/33/94/334063394.db2.gz FHKHXPRGGAMRPM-GFCCVEGCSA-N 1 2 321.450 2.943 20 30 DFEDLO CC[C@@H](CC#N)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000274570161 334063457 /nfs/dbraw/zinc/06/34/57/334063457.db2.gz FHKHXPRGGAMRPM-LBPRGKRZSA-N 1 2 321.450 2.943 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/CC2(C(=O)NCC)CCC2)c(O)c1 ZINC000276895885 334085491 /nfs/dbraw/zinc/08/54/91/334085491.db2.gz NQICRQLSXVIKTP-XDHOZWIPSA-N 1 2 318.417 2.906 20 30 DFEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000278685595 334099630 /nfs/dbraw/zinc/09/96/30/334099630.db2.gz HCBKELYHXUFBEP-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)s1 ZINC000278688344 334099632 /nfs/dbraw/zinc/09/96/32/334099632.db2.gz SBIQZGWJWKURNN-UONOGXRCSA-N 1 2 303.431 2.507 20 30 DFEDLO CSc1ccccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000280584898 334118573 /nfs/dbraw/zinc/11/85/73/334118573.db2.gz WGPFAHNCQKRPCY-KRWDZBQOSA-N 1 2 317.458 2.649 20 30 DFEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000280584898 334118575 /nfs/dbraw/zinc/11/85/75/334118575.db2.gz WGPFAHNCQKRPCY-KRWDZBQOSA-N 1 2 317.458 2.649 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1CCC(C#N)CC1 ZINC000282702774 334136490 /nfs/dbraw/zinc/13/64/90/334136490.db2.gz MPXAHCWNCVCNNR-UHFFFAOYSA-N 1 2 310.401 2.791 20 30 DFEDLO NC(=[NH+]OCc1ccc(Br)cc1F)[C@@H]1CCCO1 ZINC000283765220 334141355 /nfs/dbraw/zinc/14/13/55/334141355.db2.gz BKPQZJLHQMTRMF-NSHDSACASA-N 1 2 317.158 2.556 20 30 DFEDLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283868438 334141525 /nfs/dbraw/zinc/14/15/25/334141525.db2.gz CKLIIXIJUDBMEG-NSHDSACASA-N 1 2 307.375 2.679 20 30 DFEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)[C@@H]3CCCO3)on2)cc1 ZINC000284080435 334142419 /nfs/dbraw/zinc/14/24/19/334142419.db2.gz KJZQIKLQYAKBRD-HNNXBMFYSA-N 1 2 301.346 2.618 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2cscn2)CC1 ZINC000284084474 334142422 /nfs/dbraw/zinc/14/24/22/334142422.db2.gz RQUFEBQWAIICJD-QGZVFWFLSA-N 1 2 312.442 2.568 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000284986286 334145159 /nfs/dbraw/zinc/14/51/59/334145159.db2.gz MKPYANPUTDUBCE-KRWDZBQOSA-N 1 2 319.836 2.924 20 30 DFEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](C#N)CCC#N ZINC000285882725 334150581 /nfs/dbraw/zinc/15/05/81/334150581.db2.gz JNLZYEIDIJEKTQ-CQSZACIVSA-N 1 2 309.373 2.654 20 30 DFEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](C#N)CCC#N ZINC000285882725 334150584 /nfs/dbraw/zinc/15/05/84/334150584.db2.gz JNLZYEIDIJEKTQ-CQSZACIVSA-N 1 2 309.373 2.654 20 30 DFEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1c1ccccc1 ZINC000292106854 334184574 /nfs/dbraw/zinc/18/45/74/334184574.db2.gz IPLWGGIFHRVSMK-IKGGRYGDSA-N 1 2 310.397 2.711 20 30 DFEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1c1ccccc1 ZINC000292106854 334184575 /nfs/dbraw/zinc/18/45/75/334184575.db2.gz IPLWGGIFHRVSMK-IKGGRYGDSA-N 1 2 310.397 2.711 20 30 DFEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1c1ccccc1 ZINC000292276653 334186250 /nfs/dbraw/zinc/18/62/50/334186250.db2.gz BKBGYMXPCKPMKF-HBFSDRIKSA-N 1 2 322.408 2.665 20 30 DFEDLO N#C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1c1ccccc1 ZINC000292276653 334186252 /nfs/dbraw/zinc/18/62/52/334186252.db2.gz BKBGYMXPCKPMKF-HBFSDRIKSA-N 1 2 322.408 2.665 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000292332596 334186825 /nfs/dbraw/zinc/18/68/25/334186825.db2.gz WNBGHRAEHLESPI-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000292332596 334186826 /nfs/dbraw/zinc/18/68/26/334186826.db2.gz WNBGHRAEHLESPI-CQSZACIVSA-N 1 2 309.207 2.884 20 30 DFEDLO C[N@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1F ZINC000292898965 334194014 /nfs/dbraw/zinc/19/40/14/334194014.db2.gz VVSIEHDVWLAAKZ-ZDUSSCGKSA-N 1 2 315.186 2.641 20 30 DFEDLO C[N@@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1F ZINC000292898965 334194015 /nfs/dbraw/zinc/19/40/15/334194015.db2.gz VVSIEHDVWLAAKZ-ZDUSSCGKSA-N 1 2 315.186 2.641 20 30 DFEDLO CC(C)(C)c1csc([C@H]2C[N@H+](CCOCCC#N)CCO2)n1 ZINC000292964313 334194669 /nfs/dbraw/zinc/19/46/69/334194669.db2.gz CXDQNKIPGMYRDR-CYBMUJFWSA-N 1 2 323.462 2.744 20 30 DFEDLO CC(C)(C)c1csc([C@H]2C[N@@H+](CCOCCC#N)CCO2)n1 ZINC000292964313 334194671 /nfs/dbraw/zinc/19/46/71/334194671.db2.gz CXDQNKIPGMYRDR-CYBMUJFWSA-N 1 2 323.462 2.744 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293229529 334196627 /nfs/dbraw/zinc/19/66/27/334196627.db2.gz VXCWWOGSEFKQOQ-WWGRRREGSA-N 1 2 303.381 2.579 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293229529 334196628 /nfs/dbraw/zinc/19/66/28/334196628.db2.gz VXCWWOGSEFKQOQ-WWGRRREGSA-N 1 2 303.381 2.579 20 30 DFEDLO CCOc1ccc(C[NH+]2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293312722 334196996 /nfs/dbraw/zinc/19/69/96/334196996.db2.gz BXUVXCGRJSPSSF-MSOLQXFVSA-N 1 2 313.445 2.895 20 30 DFEDLO N#CCCOCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000294017003 334204640 /nfs/dbraw/zinc/20/46/40/334204640.db2.gz HDOHCCFMKTXLIN-QGZVFWFLSA-N 1 2 316.401 2.515 20 30 DFEDLO N#CCCOCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000294017003 334204641 /nfs/dbraw/zinc/20/46/41/334204641.db2.gz HDOHCCFMKTXLIN-QGZVFWFLSA-N 1 2 316.401 2.515 20 30 DFEDLO N#CC1CCC(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000294453302 334209887 /nfs/dbraw/zinc/20/98/87/334209887.db2.gz VUWPSVHCSIWWNW-ORHYLEIMSA-N 1 2 301.419 2.875 20 30 DFEDLO C[C@@]1(F)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295457737 334223527 /nfs/dbraw/zinc/22/35/27/334223527.db2.gz QANUAADUUBBOIY-QGZVFWFLSA-N 1 2 303.381 2.757 20 30 DFEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295457737 334223528 /nfs/dbraw/zinc/22/35/28/334223528.db2.gz QANUAADUUBBOIY-QGZVFWFLSA-N 1 2 303.381 2.757 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000295474514 334224087 /nfs/dbraw/zinc/22/40/87/334224087.db2.gz CNWWVROBJIMVLX-KBPBESRZSA-N 1 2 310.401 2.797 20 30 DFEDLO C#CC[N@@H+](CN1CCSC1=S)[C@H]1CCc2ccccc21 ZINC000049320261 334325464 /nfs/dbraw/zinc/32/54/64/334325464.db2.gz YMDRZFRCJXNPOT-HNNXBMFYSA-N 1 2 302.468 2.900 20 30 DFEDLO C#CC[N@H+](CN1CCSC1=S)[C@H]1CCc2ccccc21 ZINC000049320261 334325466 /nfs/dbraw/zinc/32/54/66/334325466.db2.gz YMDRZFRCJXNPOT-HNNXBMFYSA-N 1 2 302.468 2.900 20 30 DFEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000341992739 334503894 /nfs/dbraw/zinc/50/38/94/334503894.db2.gz COTQBGCHECHVSR-LJQANCHMSA-N 1 2 314.429 2.915 20 30 DFEDLO N#CCCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000342350443 334529950 /nfs/dbraw/zinc/52/99/50/334529950.db2.gz YJAYCACTEVOODY-UHFFFAOYSA-N 1 2 307.423 2.554 20 30 DFEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCn1cc[nH+]c1 ZINC000342462512 334543912 /nfs/dbraw/zinc/54/39/12/334543912.db2.gz NINQCKMAQXTTPT-UHFFFAOYSA-N 1 2 315.421 2.656 20 30 DFEDLO COCC1(C#N)CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342846333 334582216 /nfs/dbraw/zinc/58/22/16/334582216.db2.gz ZJTOGTVBTUOACR-UHFFFAOYSA-N 1 2 302.422 2.526 20 30 DFEDLO C=CCCOCCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000342963976 334594897 /nfs/dbraw/zinc/59/48/97/334594897.db2.gz DAMCLKPSAVWAPN-UHFFFAOYSA-N 1 2 301.390 2.714 20 30 DFEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]2CCC[C@@H]21 ZINC000328604728 334744427 /nfs/dbraw/zinc/74/44/27/334744427.db2.gz IVONINLQGCILSG-KKUMJFAQSA-N 1 2 302.422 2.939 20 30 DFEDLO Cc1ccc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)c(C)[nH+]1 ZINC000328839292 334759165 /nfs/dbraw/zinc/75/91/65/334759165.db2.gz NSDQPNCDOATMDE-OAHLLOKOSA-N 1 2 303.406 2.992 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000330583205 334793196 /nfs/dbraw/zinc/79/31/96/334793196.db2.gz VDDCUNRELVJMPU-MNOVXSKESA-N 1 2 318.343 2.837 20 30 DFEDLO CCc1ccc(CC)c(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000331252291 334851583 /nfs/dbraw/zinc/85/15/83/334851583.db2.gz QEDPHDTUQRLWOZ-AWEZNQCLSA-N 1 2 319.449 2.858 20 30 DFEDLO CC(C)(C)CN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343277073 334902484 /nfs/dbraw/zinc/90/24/84/334902484.db2.gz UXQQEAHSDKYGQS-UHFFFAOYSA-N 1 2 315.408 2.752 20 30 DFEDLO C=CC[N@@H+](Cc1nnnn1CC(F)(F)F)CC1CCCCC1 ZINC000190885583 335230446 /nfs/dbraw/zinc/23/04/46/335230446.db2.gz HNXLNUQUNSERTG-UHFFFAOYSA-N 1 2 317.359 2.804 20 30 DFEDLO C=CC[N@H+](Cc1nnnn1CC(F)(F)F)CC1CCCCC1 ZINC000190885583 335230448 /nfs/dbraw/zinc/23/04/48/335230448.db2.gz HNXLNUQUNSERTG-UHFFFAOYSA-N 1 2 317.359 2.804 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC1(C#N)CCC1 ZINC000345134895 335300343 /nfs/dbraw/zinc/30/03/43/335300343.db2.gz QCNSXCNZVYKJNB-QWRGUYRKSA-N 1 2 307.344 2.566 20 30 DFEDLO N#C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1c1ccccc1 ZINC000346416584 335409578 /nfs/dbraw/zinc/40/95/78/335409578.db2.gz ZRLSYFWJLUDKQB-IRXDYDNUSA-N 1 2 316.364 2.714 20 30 DFEDLO C=C(C)CN(CC)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347253739 335483504 /nfs/dbraw/zinc/48/35/04/335483504.db2.gz RXWSQMIHVQXVQU-UHFFFAOYSA-N 1 2 302.418 2.557 20 30 DFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000350461646 335754789 /nfs/dbraw/zinc/75/47/89/335754789.db2.gz NXLQANIUMXHTPF-BXKDBHETSA-N 1 2 311.288 2.978 20 30 DFEDLO N#CCc1ccnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000532180665 335911299 /nfs/dbraw/zinc/91/12/99/335911299.db2.gz SNNKPMANFKBDOF-UHFFFAOYSA-N 1 2 317.352 2.645 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCOCC1)C1CCOCC1 ZINC000329052118 335935842 /nfs/dbraw/zinc/93/58/42/335935842.db2.gz LDICKKFIFNUVLW-HUUCEWRRSA-N 1 2 321.421 2.661 20 30 DFEDLO C[C@@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000329340412 335966054 /nfs/dbraw/zinc/96/60/54/335966054.db2.gz OGBMEYYYHBHGKR-QGZVFWFLSA-N 1 2 303.406 2.824 20 30 DFEDLO O=C(NCC1C2CC3CC(C2)CC1C3)N1CCn2c[nH+]cc2C1 ZINC000329619308 336011136 /nfs/dbraw/zinc/01/11/36/336011136.db2.gz QWRXEPYJBWHRQE-UHFFFAOYSA-N 1 2 314.433 2.685 20 30 DFEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329639421 336021510 /nfs/dbraw/zinc/02/15/10/336021510.db2.gz WPFDPIZZYQPIIX-IATRGZMQSA-N 1 2 302.422 2.834 20 30 DFEDLO CC#CCCCC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000351490258 336038199 /nfs/dbraw/zinc/03/81/99/336038199.db2.gz FRUJGSGEVHTAKN-LSDHHAIUSA-N 1 2 322.449 2.970 20 30 DFEDLO CC#CCCCC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000351490258 336038200 /nfs/dbraw/zinc/03/82/00/336038200.db2.gz FRUJGSGEVHTAKN-LSDHHAIUSA-N 1 2 322.449 2.970 20 30 DFEDLO Cc1cc(C)c(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000331240235 336066801 /nfs/dbraw/zinc/06/68/01/336066801.db2.gz OZQPDZAFPDQPRO-GFCCVEGCSA-N 1 2 306.410 2.636 20 30 DFEDLO O=C(C[C@H]1CCOC1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329772797 336080365 /nfs/dbraw/zinc/08/03/65/336080365.db2.gz HRBDKUCBPVXIFF-CQSZACIVSA-N 1 2 303.406 2.955 20 30 DFEDLO CC(C)(C)c1cnc(NC(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000329784598 336081249 /nfs/dbraw/zinc/08/12/49/336081249.db2.gz PJQGFXLXXMMIGB-UHFFFAOYSA-N 1 2 305.407 2.698 20 30 DFEDLO CCC1(C)CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329787680 336081844 /nfs/dbraw/zinc/08/18/44/336081844.db2.gz YXKORNJIFNAINB-AWEZNQCLSA-N 1 2 320.437 2.534 20 30 DFEDLO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCn2cc[nH+]c2C1 ZINC000329859957 336090010 /nfs/dbraw/zinc/09/00/10/336090010.db2.gz XAVHTHKGIVRGOF-AWEZNQCLSA-N 1 2 316.792 2.954 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccon1)C2 ZINC000329862160 336090241 /nfs/dbraw/zinc/09/02/41/336090241.db2.gz QWZOHHJGWKOYQS-LBPRGKRZSA-N 1 2 302.378 2.683 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329904023 336093890 /nfs/dbraw/zinc/09/38/90/336093890.db2.gz ISQXZMAUVMFODE-RIUYPTKQSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329904023 336093891 /nfs/dbraw/zinc/09/38/91/336093891.db2.gz ISQXZMAUVMFODE-RIUYPTKQSA-N 1 2 324.465 2.790 20 30 DFEDLO CC(C)c1[nH+]ccn1CCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329921480 336095652 /nfs/dbraw/zinc/09/56/52/336095652.db2.gz FTQDBZRBOFXKKI-UHFFFAOYSA-N 1 2 302.382 2.551 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329926540 336096238 /nfs/dbraw/zinc/09/62/38/336096238.db2.gz WHDVVQZIUBAQRY-RLFYNMQTSA-N 1 2 318.417 2.584 20 30 DFEDLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000329926540 336096239 /nfs/dbraw/zinc/09/62/39/336096239.db2.gz WHDVVQZIUBAQRY-RLFYNMQTSA-N 1 2 318.417 2.584 20 30 DFEDLO CC[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000329970383 336101398 /nfs/dbraw/zinc/10/13/98/336101398.db2.gz XDMPNLBMAVUVRY-RYUDHWBXSA-N 1 2 319.434 2.557 20 30 DFEDLO C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329973059 336101659 /nfs/dbraw/zinc/10/16/59/336101659.db2.gz WPUPBYGGDQFCDA-FRRDWIJNSA-N 1 2 303.406 2.796 20 30 DFEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCCC2)cn1 ZINC000329988038 336102973 /nfs/dbraw/zinc/10/29/73/336102973.db2.gz TWXKVDKPFFFDDH-HOTGVXAUSA-N 1 2 322.428 2.869 20 30 DFEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCCC2)cn1 ZINC000329988038 336102975 /nfs/dbraw/zinc/10/29/75/336102975.db2.gz TWXKVDKPFFFDDH-HOTGVXAUSA-N 1 2 322.428 2.869 20 30 DFEDLO CC1CC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330017823 336106336 /nfs/dbraw/zinc/10/63/36/336106336.db2.gz RUJDWOCEBYZTAE-OTTFEQOBSA-N 1 2 304.438 2.798 20 30 DFEDLO CC1CC([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330017823 336106337 /nfs/dbraw/zinc/10/63/37/336106337.db2.gz RUJDWOCEBYZTAE-OTTFEQOBSA-N 1 2 304.438 2.798 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCSCC[C@@H]1C)CCC2 ZINC000330056468 336109861 /nfs/dbraw/zinc/10/98/61/336109861.db2.gz VXKNJFVRJYOSJU-KBPBESRZSA-N 1 2 322.478 2.810 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330090539 336112726 /nfs/dbraw/zinc/11/27/26/336112726.db2.gz WXDMCULBCSOXFX-CWIFOLKKSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330090539 336112728 /nfs/dbraw/zinc/11/27/28/336112728.db2.gz WXDMCULBCSOXFX-CWIFOLKKSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330237989 336128246 /nfs/dbraw/zinc/12/82/46/336128246.db2.gz ASFVTNAUVKKBDP-TUVASFSCSA-N 1 2 323.437 2.689 20 30 DFEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330237989 336128247 /nfs/dbraw/zinc/12/82/47/336128247.db2.gz ASFVTNAUVKKBDP-TUVASFSCSA-N 1 2 323.437 2.689 20 30 DFEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330274878 336132555 /nfs/dbraw/zinc/13/25/55/336132555.db2.gz KTERIVLULGZPOW-VRKREXBASA-N 1 2 321.421 2.802 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000330288147 336133547 /nfs/dbraw/zinc/13/35/47/336133547.db2.gz BLSUBDFONYCWCI-TZMCWYRMSA-N 1 2 317.776 2.812 20 30 DFEDLO Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1CCn3cc[nH+]c3C1)CO2 ZINC000330297872 336137274 /nfs/dbraw/zinc/13/72/74/336137274.db2.gz HCXCGSQPBIWHHR-DZGCQCFKSA-N 1 2 311.385 2.947 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1nc2ccccc2s1 ZINC000331504874 336138250 /nfs/dbraw/zinc/13/82/50/336138250.db2.gz QJODRSLTVKJGDE-TUAOUCFPSA-N 1 2 314.414 2.905 20 30 DFEDLO C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000331756244 336147429 /nfs/dbraw/zinc/14/74/29/336147429.db2.gz MDAQBDAHDNTRPG-YHUYYLMFSA-N 1 2 315.421 2.558 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000332130101 336159592 /nfs/dbraw/zinc/15/95/92/336159592.db2.gz ODGXIMXDKVFAFT-APWZRJJASA-N 1 2 321.428 2.729 20 30 DFEDLO C[C@@H]1CN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000332392058 336170752 /nfs/dbraw/zinc/17/07/52/336170752.db2.gz MIROABVXIBZBIL-KBUPBQIOSA-N 1 2 300.406 2.799 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000351990212 336186376 /nfs/dbraw/zinc/18/63/76/336186376.db2.gz ZEHVFBGPZUYQPQ-GJZGRUSLSA-N 1 2 323.412 2.710 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000351990212 336186377 /nfs/dbraw/zinc/18/63/77/336186377.db2.gz ZEHVFBGPZUYQPQ-GJZGRUSLSA-N 1 2 323.412 2.710 20 30 DFEDLO CC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H](C)C#N ZINC000352092063 336194435 /nfs/dbraw/zinc/19/44/35/336194435.db2.gz NQRMMMDADFDLRO-JTQLQIEISA-N 1 2 312.316 2.998 20 30 DFEDLO CC[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H](C)C#N ZINC000352092063 336194436 /nfs/dbraw/zinc/19/44/36/336194436.db2.gz NQRMMMDADFDLRO-JTQLQIEISA-N 1 2 312.316 2.998 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000333575001 336206258 /nfs/dbraw/zinc/20/62/58/336206258.db2.gz JGBNTBGRCIWJHT-FPMFFAJLSA-N 1 2 303.793 2.727 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3C#N)C2=O)c1 ZINC000333679292 336208003 /nfs/dbraw/zinc/20/80/03/336208003.db2.gz ZNLACCJAEFYUNK-KBMXLJTQSA-N 1 2 315.392 2.911 20 30 DFEDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)CCC#N ZINC000352263223 336208332 /nfs/dbraw/zinc/20/83/32/336208332.db2.gz NJEMCALEAWSNGU-INIZCTEOSA-N 1 2 302.418 2.999 20 30 DFEDLO CCC[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352441812 336219163 /nfs/dbraw/zinc/21/91/63/336219163.db2.gz DMTUZYIHGVTBHQ-INIZCTEOSA-N 1 2 317.408 2.972 20 30 DFEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000352447001 336219521 /nfs/dbraw/zinc/21/95/21/336219521.db2.gz ANDFTXJQYAAMCO-OAHLLOKOSA-N 1 2 319.355 2.649 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000352458171 336220334 /nfs/dbraw/zinc/22/03/34/336220334.db2.gz ZUTMSVFOVDARBD-GOSISDBHSA-N 1 2 313.401 2.717 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352457827 336220402 /nfs/dbraw/zinc/22/04/02/336220402.db2.gz FYWVLBMELJEPQJ-AWEZNQCLSA-N 1 2 303.381 2.958 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352461984 336220566 /nfs/dbraw/zinc/22/05/66/336220566.db2.gz APURSDBDYHEUFL-CYBMUJFWSA-N 1 2 321.371 2.673 20 30 DFEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352479822 336221244 /nfs/dbraw/zinc/22/12/44/336221244.db2.gz BWLKDTJUFMJMPA-GFCCVEGCSA-N 1 2 323.799 2.672 20 30 DFEDLO C=CCC(C)(C)CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000352512678 336222377 /nfs/dbraw/zinc/22/23/77/336222377.db2.gz ZFTHIZVYALMMTP-MRXNPFEDSA-N 1 2 310.482 2.842 20 30 DFEDLO CCCCCC(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000352790257 336236925 /nfs/dbraw/zinc/23/69/25/336236925.db2.gz REQIWPCKFWHQTG-HNNXBMFYSA-N 1 2 304.438 2.591 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCCC1 ZINC000352792136 336236952 /nfs/dbraw/zinc/23/69/52/336236952.db2.gz KSFWLFNKDOHRDM-HNNXBMFYSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCCCC1 ZINC000352792136 336236953 /nfs/dbraw/zinc/23/69/53/336236953.db2.gz KSFWLFNKDOHRDM-HNNXBMFYSA-N 1 2 320.433 2.551 20 30 DFEDLO C=C(C)CN(CC[N@@H+]1CCO[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352903831 336375716 /nfs/dbraw/zinc/37/57/16/336375716.db2.gz RXGDVIYRUGQJJU-KRWDZBQOSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C(C)CN(CC[N@H+]1CCO[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352903831 336375717 /nfs/dbraw/zinc/37/57/17/336375717.db2.gz RXGDVIYRUGQJJU-KRWDZBQOSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C(=O)OC)C1CC1 ZINC000352920854 336377233 /nfs/dbraw/zinc/37/72/33/336377233.db2.gz BVJWGGHQMPULRG-INIZCTEOSA-N 1 2 305.422 2.794 20 30 DFEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C(=O)OC)C1CC1 ZINC000352920854 336377234 /nfs/dbraw/zinc/37/72/34/336377234.db2.gz BVJWGGHQMPULRG-INIZCTEOSA-N 1 2 305.422 2.794 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000353783695 336440363 /nfs/dbraw/zinc/44/03/63/336440363.db2.gz BSCBKBCRJQAYBJ-UHFFFAOYSA-N 1 2 324.384 2.868 20 30 DFEDLO Cn1c[nH+]cc1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000356803437 336561490 /nfs/dbraw/zinc/56/14/90/336561490.db2.gz SUFCVXVWGJUDAT-UHFFFAOYSA-N 1 2 321.384 2.609 20 30 DFEDLO C=CCOCC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000357372739 336582851 /nfs/dbraw/zinc/58/28/51/336582851.db2.gz CXBMLDUFWYQROW-UHFFFAOYSA-N 1 2 313.401 2.711 20 30 DFEDLO C=C(CC)CSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358636422 336637732 /nfs/dbraw/zinc/63/77/32/336637732.db2.gz MKTQNURMKWVIHL-UHFFFAOYSA-N 1 2 319.474 2.820 20 30 DFEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000362377966 336794197 /nfs/dbraw/zinc/79/41/97/336794197.db2.gz BAMKWMHJOMFXPD-CYBMUJFWSA-N 1 2 307.825 2.742 20 30 DFEDLO Cc1cnn(C2C[NH+](Cc3cccc(OCCCC#N)c3)C2)c1 ZINC000369427194 336864462 /nfs/dbraw/zinc/86/44/62/336864462.db2.gz OJBCHADBJXXZDN-UHFFFAOYSA-N 1 2 310.401 2.931 20 30 DFEDLO C#CC[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000369505687 336866265 /nfs/dbraw/zinc/86/62/65/336866265.db2.gz ZMLQZHUWRLFUMF-GJZGRUSLSA-N 1 2 314.433 2.520 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000121002075 336927797 /nfs/dbraw/zinc/92/77/97/336927797.db2.gz RPEOIWBULPXVOM-JKSUJKDBSA-N 1 2 308.385 2.607 20 30 DFEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)OCC ZINC000372452080 336931824 /nfs/dbraw/zinc/93/18/24/336931824.db2.gz VHOFRLIZYZNTKU-CVEARBPZSA-N 1 2 317.433 2.538 20 30 DFEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375142646 337004420 /nfs/dbraw/zinc/00/44/20/337004420.db2.gz SUTARRQXRZDRET-KDOFPFPSSA-N 1 2 314.433 2.743 20 30 DFEDLO C=CCCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000375234367 337006244 /nfs/dbraw/zinc/00/62/44/337006244.db2.gz QLSRVXDVBNSUOC-UHFFFAOYSA-N 1 2 313.323 2.715 20 30 DFEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050153 337011511 /nfs/dbraw/zinc/01/15/11/337011511.db2.gz MMPOWTTXAKJWNU-ZBFHGGJFSA-N 1 2 304.434 2.958 20 30 DFEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000305050153 337011512 /nfs/dbraw/zinc/01/15/12/337011512.db2.gz MMPOWTTXAKJWNU-ZBFHGGJFSA-N 1 2 304.434 2.958 20 30 DFEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000305089386 337013067 /nfs/dbraw/zinc/01/30/67/337013067.db2.gz ZUNVEFUTWRFZMU-QWRGUYRKSA-N 1 2 317.216 2.967 20 30 DFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000305089386 337013068 /nfs/dbraw/zinc/01/30/68/337013068.db2.gz ZUNVEFUTWRFZMU-QWRGUYRKSA-N 1 2 317.216 2.967 20 30 DFEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376162836 337028637 /nfs/dbraw/zinc/02/86/37/337028637.db2.gz PAWFVLUHFFHJFD-HUUCEWRRSA-N 1 2 308.385 2.531 20 30 DFEDLO C=C(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000377005643 337045094 /nfs/dbraw/zinc/04/50/94/337045094.db2.gz FDNKVJCWZBYGSN-GOSISDBHSA-N 1 2 323.396 2.958 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000377692421 337058515 /nfs/dbraw/zinc/05/85/15/337058515.db2.gz FRDDCHKUMWDVTM-GOSISDBHSA-N 1 2 309.413 2.592 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000377692421 337058516 /nfs/dbraw/zinc/05/85/16/337058516.db2.gz FRDDCHKUMWDVTM-GOSISDBHSA-N 1 2 309.413 2.592 20 30 DFEDLO CCCCCCCCOCC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000377807818 337061650 /nfs/dbraw/zinc/06/16/50/337061650.db2.gz BLMGJTSIBWCZIW-UHFFFAOYSA-N 1 2 307.438 2.682 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000378342319 337070300 /nfs/dbraw/zinc/07/03/00/337070300.db2.gz ODWQVOCFHGSMPA-ZDUSSCGKSA-N 1 2 322.792 2.541 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000378342319 337070301 /nfs/dbraw/zinc/07/03/01/337070301.db2.gz ODWQVOCFHGSMPA-ZDUSSCGKSA-N 1 2 322.792 2.541 20 30 DFEDLO C#CCCCCC(=O)N(CC)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000378409521 337072229 /nfs/dbraw/zinc/07/22/29/337072229.db2.gz ZHPWYEIXSBSKPV-SFHVURJKSA-N 1 2 324.428 2.947 20 30 DFEDLO N#CCCCCNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378513226 337074816 /nfs/dbraw/zinc/07/48/16/337074816.db2.gz CSICXIABNSPZSH-INIZCTEOSA-N 1 2 322.412 2.923 20 30 DFEDLO CCCc1sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1CC ZINC000582669605 337118780 /nfs/dbraw/zinc/11/87/80/337118780.db2.gz AEJSVKHKJUKVCO-INIZCTEOSA-N 1 2 307.463 2.837 20 30 DFEDLO C=CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000175206980 337146149 /nfs/dbraw/zinc/14/61/49/337146149.db2.gz IUGXNVPTUZGUTD-QGZVFWFLSA-N 1 2 313.401 2.991 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC)C[C@@H]2CCCO2)c1C ZINC000177606778 337158094 /nfs/dbraw/zinc/15/80/94/337158094.db2.gz YIGOJCRFTWXSOQ-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)C[C@@H]2CCCO2)c1C ZINC000177606778 337158095 /nfs/dbraw/zinc/15/80/95/337158095.db2.gz YIGOJCRFTWXSOQ-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO Cc1cccn2cc(CS(=O)(=O)CCCC(C)(C)C#N)[nH+]c12 ZINC000178159983 337162716 /nfs/dbraw/zinc/16/27/16/337162716.db2.gz QVLXAFSHFFVLIR-UHFFFAOYSA-N 1 2 319.430 2.888 20 30 DFEDLO C=C(C)CN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000180622937 337176788 /nfs/dbraw/zinc/17/67/88/337176788.db2.gz CQJNZQFFGFYXKT-UHFFFAOYSA-N 1 2 300.406 2.952 20 30 DFEDLO N#C[C@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC12CCCC2 ZINC000583125283 337241021 /nfs/dbraw/zinc/24/10/21/337241021.db2.gz BXYDUQDENHLPQS-SFHVURJKSA-N 1 2 321.384 2.739 20 30 DFEDLO CC[N@@H+]1CC[C@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186100653 337254454 /nfs/dbraw/zinc/25/44/54/337254454.db2.gz BXXOBRLNPJZEDE-ZFWWWQNUSA-N 1 2 309.772 2.644 20 30 DFEDLO CC[N@H+]1CC[C@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186100653 337254455 /nfs/dbraw/zinc/25/44/55/337254455.db2.gz BXXOBRLNPJZEDE-ZFWWWQNUSA-N 1 2 309.772 2.644 20 30 DFEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187314276 337264025 /nfs/dbraw/zinc/26/40/25/337264025.db2.gz ASWYEKRCJLIISF-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187314276 337264026 /nfs/dbraw/zinc/26/40/26/337264026.db2.gz ASWYEKRCJLIISF-HNNXBMFYSA-N 1 2 312.385 2.985 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297916 337277935 /nfs/dbraw/zinc/27/79/35/337277935.db2.gz QNKDOVWVZOJVPX-UHFFFAOYSA-N 1 2 317.389 2.595 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297916 337277936 /nfs/dbraw/zinc/27/79/36/337277936.db2.gz QNKDOVWVZOJVPX-UHFFFAOYSA-N 1 2 317.389 2.595 20 30 DFEDLO COc1cc[nH+]c(CN(CCC#N)Cc2ccco2)c1OC ZINC000190628188 337289203 /nfs/dbraw/zinc/28/92/03/337289203.db2.gz SAKXQGMBSGANDZ-UHFFFAOYSA-N 1 2 301.346 2.608 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000191093838 337293890 /nfs/dbraw/zinc/29/38/90/337293890.db2.gz SEZYBLZVSGYEFM-UHFFFAOYSA-N 1 2 320.824 2.770 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000191093838 337293891 /nfs/dbraw/zinc/29/38/91/337293891.db2.gz SEZYBLZVSGYEFM-UHFFFAOYSA-N 1 2 320.824 2.770 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000191124657 337294286 /nfs/dbraw/zinc/29/42/86/337294286.db2.gz HYOSMNLWKSYDFB-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000191124657 337294287 /nfs/dbraw/zinc/29/42/87/337294287.db2.gz HYOSMNLWKSYDFB-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191128164 337294312 /nfs/dbraw/zinc/29/43/12/337294312.db2.gz VCEXWKYWDITDLC-AWEZNQCLSA-N 1 2 301.390 2.856 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191128164 337294313 /nfs/dbraw/zinc/29/43/13/337294313.db2.gz VCEXWKYWDITDLC-AWEZNQCLSA-N 1 2 301.390 2.856 20 30 DFEDLO CCCOc1ccc(CNC(=O)C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000064249122 337294605 /nfs/dbraw/zinc/29/46/05/337294605.db2.gz DFHUDVXPKQVSDX-OAHLLOKOSA-N 1 2 317.433 2.573 20 30 DFEDLO CCCOc1ccc(CNC(=O)C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000064249122 337294606 /nfs/dbraw/zinc/29/46/06/337294606.db2.gz DFHUDVXPKQVSDX-OAHLLOKOSA-N 1 2 317.433 2.573 20 30 DFEDLO CC(C)(C#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110979193 337389325 /nfs/dbraw/zinc/38/93/25/337389325.db2.gz RYRFZMZMLZPRHD-LBPRGKRZSA-N 1 2 321.371 2.595 20 30 DFEDLO CC(C)(C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110979193 337389326 /nfs/dbraw/zinc/38/93/26/337389326.db2.gz RYRFZMZMLZPRHD-LBPRGKRZSA-N 1 2 321.371 2.595 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000131265435 337437032 /nfs/dbraw/zinc/43/70/32/337437032.db2.gz CXBLIUVGOCSSKQ-CQSZACIVSA-N 1 2 324.384 2.767 20 30 DFEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419261950 337478290 /nfs/dbraw/zinc/47/82/90/337478290.db2.gz ROQGLLVAYLOEAD-CWRNSKLLSA-N 1 2 304.365 2.582 20 30 DFEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000078885883 337608418 /nfs/dbraw/zinc/60/84/18/337608418.db2.gz XNHCBZPIOWJOBM-UHFFFAOYSA-N 1 2 311.389 2.688 20 30 DFEDLO CCC(C#N)(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000527825399 337767232 /nfs/dbraw/zinc/76/72/32/337767232.db2.gz WLMQHFFZXYGATQ-UHFFFAOYSA-N 1 2 310.401 2.878 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)nn1 ZINC000424298861 337817343 /nfs/dbraw/zinc/81/73/43/337817343.db2.gz UEGOXSXCVUYXPV-OAHLLOKOSA-N 1 2 302.353 2.607 20 30 DFEDLO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCC[C@H]2C#N)cn1 ZINC000430080126 338095052 /nfs/dbraw/zinc/09/50/52/338095052.db2.gz AZVHKBBIJFBOSK-HOCLYGCPSA-N 1 2 308.385 2.934 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431964166 338142783 /nfs/dbraw/zinc/14/27/83/338142783.db2.gz MUZAMOBENASNMY-OAHLLOKOSA-N 1 2 311.389 2.654 20 30 DFEDLO C=CCC(C)(C)CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000432100308 338145527 /nfs/dbraw/zinc/14/55/27/338145527.db2.gz URHSOFXMYXWVCH-UHFFFAOYSA-N 1 2 318.343 2.847 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433299313 338190220 /nfs/dbraw/zinc/19/02/20/338190220.db2.gz BINGLWANODCHFC-UHFFFAOYSA-N 1 2 315.461 2.950 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433299313 338190221 /nfs/dbraw/zinc/19/02/21/338190221.db2.gz BINGLWANODCHFC-UHFFFAOYSA-N 1 2 315.461 2.950 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433304532 338190594 /nfs/dbraw/zinc/19/05/94/338190594.db2.gz LCRKMXBKHWTEGN-HNNXBMFYSA-N 1 2 301.434 2.905 20 30 DFEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433304532 338190595 /nfs/dbraw/zinc/19/05/95/338190595.db2.gz LCRKMXBKHWTEGN-HNNXBMFYSA-N 1 2 301.434 2.905 20 30 DFEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000433352878 338193692 /nfs/dbraw/zinc/19/36/92/338193692.db2.gz JRFTZQDRGCTLGP-KRWDZBQOSA-N 1 2 322.412 2.888 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000435584591 338242883 /nfs/dbraw/zinc/24/28/83/338242883.db2.gz MPKCZOVZSKNUFS-WBVHZDCISA-N 1 2 310.401 2.662 20 30 DFEDLO CC(C)(C)c1[nH]n(CC[NH+]2CCCCC2)c(=O)c1CCC#N ZINC000194404894 338523756 /nfs/dbraw/zinc/52/37/56/338523756.db2.gz QQOZRIKIPVYEAG-UHFFFAOYSA-N 1 2 304.438 2.828 20 30 DFEDLO C[C@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449314576 338612102 /nfs/dbraw/zinc/61/21/02/338612102.db2.gz DJBYBZQYYNLOLN-CYBMUJFWSA-N 1 2 324.421 2.521 20 30 DFEDLO C=C(CC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449735671 338648946 /nfs/dbraw/zinc/64/89/46/338648946.db2.gz RVQYNPYWHFQDII-HNNXBMFYSA-N 1 2 300.362 2.974 20 30 DFEDLO C=CCC1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCCC1 ZINC000450848654 338708370 /nfs/dbraw/zinc/70/83/70/338708370.db2.gz RRASLBBIABCHTC-ZBFHGGJFSA-N 1 2 317.433 2.893 20 30 DFEDLO C=CCC1(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000454164579 338855342 /nfs/dbraw/zinc/85/53/42/338855342.db2.gz ZUAIYILJHBCAIA-UHFFFAOYSA-N 1 2 323.481 2.533 20 30 DFEDLO C=CC(C)(C)CNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000454186175 338856437 /nfs/dbraw/zinc/85/64/37/338856437.db2.gz QACFNDCTMGQHOX-UHFFFAOYSA-N 1 2 300.406 2.856 20 30 DFEDLO C=C(C)CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000455319240 338890376 /nfs/dbraw/zinc/89/03/76/338890376.db2.gz ZQWJTABFBIIHRO-TWGQIWQCSA-N 1 2 313.445 2.993 20 30 DFEDLO C=C(C)CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000456123200 338919889 /nfs/dbraw/zinc/91/98/89/338919889.db2.gz QBKFZROGAZWEBF-UHFFFAOYSA-N 1 2 303.431 2.958 20 30 DFEDLO CN(CC(C)(C)C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000457596413 338971238 /nfs/dbraw/zinc/97/12/38/338971238.db2.gz JWLFTAHASVHJGW-UHFFFAOYSA-N 1 2 319.796 2.679 20 30 DFEDLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(OC)cc1 ZINC000459463329 339030550 /nfs/dbraw/zinc/03/05/50/339030550.db2.gz KZFJCORGTRJJMR-VBNZEHGJSA-N 1 2 301.390 2.694 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000491264560 339855613 /nfs/dbraw/zinc/85/56/13/339855613.db2.gz HEUDCHNTFOFKSC-QGZVFWFLSA-N 1 2 324.428 2.779 20 30 DFEDLO C#C[C@H](CCC)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491278631 339856135 /nfs/dbraw/zinc/85/61/35/339856135.db2.gz UPUPXFVXJWBUTN-GFCCVEGCSA-N 1 2 304.781 2.589 20 30 DFEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491774308 339880512 /nfs/dbraw/zinc/88/05/12/339880512.db2.gz CLFGFWZEKNRPND-CVEARBPZSA-N 1 2 310.401 2.611 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000491774759 339880685 /nfs/dbraw/zinc/88/06/85/339880685.db2.gz AWPHQCBESAVBEN-KRWDZBQOSA-N 1 2 304.328 2.809 20 30 DFEDLO CCOc1cccc(/C=[NH+]/CC2CCN(C(=O)OC)CC2)c1O ZINC000496488600 340006537 /nfs/dbraw/zinc/00/65/37/340006537.db2.gz CLRAISMGELUABI-LDADJPATSA-N 1 2 320.389 2.688 20 30 DFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000072692930 341099100 /nfs/dbraw/zinc/09/91/00/341099100.db2.gz BSKWKHPZUYYYMH-UHFFFAOYSA-N 1 2 312.417 2.846 20 30 DFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000072692930 341099101 /nfs/dbraw/zinc/09/91/01/341099101.db2.gz BSKWKHPZUYYYMH-UHFFFAOYSA-N 1 2 312.417 2.846 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132390901 341121918 /nfs/dbraw/zinc/12/19/18/341121918.db2.gz RHQNAENKUNJOAV-NZVBXONLSA-N 1 2 309.360 2.584 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000132390901 341121919 /nfs/dbraw/zinc/12/19/19/341121919.db2.gz RHQNAENKUNJOAV-NZVBXONLSA-N 1 2 309.360 2.584 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000547652685 341225294 /nfs/dbraw/zinc/22/52/94/341225294.db2.gz WLEJJHQKUGCOLF-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000547652685 341225295 /nfs/dbraw/zinc/22/52/95/341225295.db2.gz WLEJJHQKUGCOLF-SJLPKXTDSA-N 1 2 316.445 2.573 20 30 DFEDLO CC#CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000136037440 341251198 /nfs/dbraw/zinc/25/11/98/341251198.db2.gz VTWXORRGJLMKBJ-AWEZNQCLSA-N 1 2 319.836 2.752 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548279376 341254139 /nfs/dbraw/zinc/25/41/39/341254139.db2.gz HJHUTNIIVZGPEB-HZPDHXFCSA-N 1 2 323.400 2.542 20 30 DFEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000548279377 341254164 /nfs/dbraw/zinc/25/41/64/341254164.db2.gz HJHUTNIIVZGPEB-JKSUJKDBSA-N 1 2 323.400 2.542 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040450 341268881 /nfs/dbraw/zinc/26/88/81/341268881.db2.gz GLDKVKNJBYWNHM-STQMWFEESA-N 1 2 323.387 2.966 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000080040450 341268882 /nfs/dbraw/zinc/26/88/82/341268882.db2.gz GLDKVKNJBYWNHM-STQMWFEESA-N 1 2 323.387 2.966 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000245778842 341314576 /nfs/dbraw/zinc/31/45/76/341314576.db2.gz LWQNBFBLJUDTOO-GDBMZVCRSA-N 1 2 301.434 2.824 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000245778842 341314577 /nfs/dbraw/zinc/31/45/77/341314577.db2.gz LWQNBFBLJUDTOO-GDBMZVCRSA-N 1 2 301.434 2.824 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000550797096 341323266 /nfs/dbraw/zinc/32/32/66/341323266.db2.gz KYDJNPPMKQFOOE-YUTCNCBUSA-N 1 2 304.419 2.526 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)C(F)(F)F ZINC000565374217 341525489 /nfs/dbraw/zinc/52/54/89/341525489.db2.gz UFWLMDFTWIGXLK-NXEZZACHSA-N 1 2 316.327 2.511 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(COC(C)C)cc1 ZINC000566428810 341557770 /nfs/dbraw/zinc/55/77/70/341557770.db2.gz KVJVLQWATSYCGR-QGZVFWFLSA-N 1 2 317.433 2.510 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000572992508 341712578 /nfs/dbraw/zinc/71/25/78/341712578.db2.gz PAFAHMRYSYYJPG-NSHDSACASA-N 1 2 312.295 2.556 20 30 DFEDLO COc1cc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1C#N ZINC000294821479 533799705 /nfs/dbraw/zinc/79/97/05/533799705.db2.gz OYPQBDLNTMMCHV-INIZCTEOSA-N 1 2 310.401 2.883 20 30 DFEDLO Cc1nocc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000294720824 534494008 /nfs/dbraw/zinc/49/40/08/534494008.db2.gz PJMMLDANYVPIMR-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361839550 534514556 /nfs/dbraw/zinc/51/45/56/534514556.db2.gz ZZFKUAHXUYXCRM-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361839550 534514562 /nfs/dbraw/zinc/51/45/62/534514562.db2.gz ZZFKUAHXUYXCRM-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CCO[C@@H]1C[C@@](O)(CNc2cc(C)[nH+]c(C)c2C#N)C1(C)C ZINC000302670529 527888873 /nfs/dbraw/zinc/88/88/73/527888873.db2.gz DMBQFJCZJDBYIF-NVXWUHKLSA-N 1 2 303.406 2.548 20 30 DFEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000332582752 529064341 /nfs/dbraw/zinc/06/43/41/529064341.db2.gz IPZGGMDYQWWVDX-YOEHRIQHSA-N 1 2 322.412 2.927 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCCOC2)O1 ZINC000369541428 535862931 /nfs/dbraw/zinc/86/29/31/535862931.db2.gz NXEWTYOCRRYRRG-MSOLQXFVSA-N 1 2 318.392 2.857 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCCOC2)O1 ZINC000369541428 535862936 /nfs/dbraw/zinc/86/29/36/535862936.db2.gz NXEWTYOCRRYRRG-MSOLQXFVSA-N 1 2 318.392 2.857 20 30 DFEDLO C=C[C@H](CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000681889269 545744534 /nfs/dbraw/zinc/74/45/34/545744534.db2.gz JZKOYJSGSKVVBP-WBVHZDCISA-N 1 2 324.428 2.585 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000682360331 545829064 /nfs/dbraw/zinc/82/90/64/545829064.db2.gz WRDYIZHDQYBPCA-SFHVURJKSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000682360331 545829067 /nfs/dbraw/zinc/82/90/67/545829067.db2.gz WRDYIZHDQYBPCA-SFHVURJKSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000682360331 545829071 /nfs/dbraw/zinc/82/90/71/545829071.db2.gz WRDYIZHDQYBPCA-SFHVURJKSA-N 1 2 318.465 2.540 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000683837941 546106250 /nfs/dbraw/zinc/10/62/50/546106250.db2.gz WGBGQCQAIDFEQC-MRXNPFEDSA-N 1 2 312.417 2.935 20 30 DFEDLO C=C(C)[C@@H](CO)[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208120 546173782 /nfs/dbraw/zinc/17/37/82/546173782.db2.gz HOEDSRWGJKIGPJ-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)[C@@H](CO)[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208120 546173784 /nfs/dbraw/zinc/17/37/84/546173784.db2.gz HOEDSRWGJKIGPJ-CYBMUJFWSA-N 1 2 312.207 2.581 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1CC ZINC000685442269 546350386 /nfs/dbraw/zinc/35/03/86/546350386.db2.gz OZIQTLVOXSNUBJ-UHFFFAOYSA-N 1 2 303.406 2.646 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1CC ZINC000685442269 546350391 /nfs/dbraw/zinc/35/03/91/546350391.db2.gz OZIQTLVOXSNUBJ-UHFFFAOYSA-N 1 2 303.406 2.646 20 30 DFEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)ccc1C#N ZINC000821613482 607058846 /nfs/dbraw/zinc/05/88/46/607058846.db2.gz PCOUFKTZAWHQDO-UHFFFAOYSA-N 1 2 322.347 2.509 20 30 DFEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1N(C)C ZINC000823958348 608748846 /nfs/dbraw/zinc/74/88/46/608748846.db2.gz KMVRYCLGSCSRHK-UHFFFAOYSA-N 1 2 321.388 2.769 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ncnn1CC(F)F ZINC000278320875 214088721 /nfs/dbraw/zinc/08/87/21/214088721.db2.gz CGFHQVSVAYQEFC-LLVKDONJSA-N 1 2 305.332 2.608 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278320875 214088723 /nfs/dbraw/zinc/08/87/23/214088723.db2.gz CGFHQVSVAYQEFC-LLVKDONJSA-N 1 2 305.332 2.608 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000278337413 214098441 /nfs/dbraw/zinc/09/84/41/214098441.db2.gz XPSYGSZZWMGPCK-CZUORRHYSA-N 1 2 315.348 2.931 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000076719020 185035516 /nfs/dbraw/zinc/03/55/16/185035516.db2.gz LQERGKKJHCSFJF-GFCCVEGCSA-N 1 2 300.362 2.671 20 30 DFEDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000076719020 185035518 /nfs/dbraw/zinc/03/55/18/185035518.db2.gz LQERGKKJHCSFJF-GFCCVEGCSA-N 1 2 300.362 2.671 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000278516705 214207016 /nfs/dbraw/zinc/20/70/16/214207016.db2.gz CBVJYAUPPUCTAD-WBMJQRKESA-N 1 2 323.462 2.641 20 30 DFEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000278516705 214207017 /nfs/dbraw/zinc/20/70/17/214207017.db2.gz CBVJYAUPPUCTAD-WBMJQRKESA-N 1 2 323.462 2.641 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1=O ZINC000083126846 185213679 /nfs/dbraw/zinc/21/36/79/185213679.db2.gz PTIGGMMISBDGOE-MRXNPFEDSA-N 1 2 323.421 2.783 20 30 DFEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1=O ZINC000083126846 185213680 /nfs/dbraw/zinc/21/36/80/185213680.db2.gz PTIGGMMISBDGOE-MRXNPFEDSA-N 1 2 323.421 2.783 20 30 DFEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C#N)[nH+]c2c1 ZINC000596186338 398351311 /nfs/dbraw/zinc/35/13/11/398351311.db2.gz UPBMCHJZVRWIJA-UKRRQHHQSA-N 1 2 311.389 2.524 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4c(C#N)cnn4C)C3)[nH+]c2c1 ZINC000596188842 398352359 /nfs/dbraw/zinc/35/23/59/398352359.db2.gz BQFHEWZKYUYGBR-ZDUSSCGKSA-N 1 2 320.400 2.861 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000596197478 398354660 /nfs/dbraw/zinc/35/46/60/398354660.db2.gz DNOGKGQZZGGOHK-GDBMZVCRSA-N 1 2 323.400 2.754 20 30 DFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000007141182 398359741 /nfs/dbraw/zinc/35/97/41/398359741.db2.gz ZFAQYXZSVIJLGJ-CYBMUJFWSA-N 1 2 306.369 2.749 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596219713 398360253 /nfs/dbraw/zinc/36/02/53/398360253.db2.gz DDHXFGBKUIMSAA-UHFFFAOYSA-N 1 2 319.821 2.698 20 30 DFEDLO CC(C)[C@H]1N(c2[nH+]cnc3c2cnn3CCC#N)CC12CC=CC2 ZINC000591993692 398369765 /nfs/dbraw/zinc/36/97/65/398369765.db2.gz MILLWSXPABKZFY-OAHLLOKOSA-N 1 2 322.416 2.921 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000578775669 398375845 /nfs/dbraw/zinc/37/58/45/398375845.db2.gz GJRGQBFITZNBII-HBFSDRIKSA-N 1 2 321.424 2.903 20 30 DFEDLO N#CCC[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)CC1CC1 ZINC000579066099 398377963 /nfs/dbraw/zinc/37/79/63/398377963.db2.gz AYGBHKNIDTWZFB-UHFFFAOYSA-N 1 2 315.461 2.553 20 30 DFEDLO N#CCC[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)CC1CC1 ZINC000579066099 398377964 /nfs/dbraw/zinc/37/79/64/398377964.db2.gz AYGBHKNIDTWZFB-UHFFFAOYSA-N 1 2 315.461 2.553 20 30 DFEDLO COc1cc(C)c(C[N@H+](C)Cc2ccncc2C#N)cc1OC ZINC000592058575 398378407 /nfs/dbraw/zinc/37/84/07/398378407.db2.gz HEZMXUQFSKUEOV-UHFFFAOYSA-N 1 2 311.385 2.911 20 30 DFEDLO COc1cc(C)c(C[N@@H+](C)Cc2ccncc2C#N)cc1OC ZINC000592058575 398378410 /nfs/dbraw/zinc/37/84/10/398378410.db2.gz HEZMXUQFSKUEOV-UHFFFAOYSA-N 1 2 311.385 2.911 20 30 DFEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000579618892 398381776 /nfs/dbraw/zinc/38/17/76/398381776.db2.gz PEBYNLYHHZIBTI-UHFFFAOYSA-N 1 2 300.383 2.994 20 30 DFEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000579618892 398381780 /nfs/dbraw/zinc/38/17/80/398381780.db2.gz PEBYNLYHHZIBTI-UHFFFAOYSA-N 1 2 300.383 2.994 20 30 DFEDLO N#Cc1cnccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000592082251 398380928 /nfs/dbraw/zinc/38/09/28/398380928.db2.gz ITLPFDDOMJRFPG-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO N#Cc1cnccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000592082251 398380931 /nfs/dbraw/zinc/38/09/31/398380931.db2.gz ITLPFDDOMJRFPG-UHFFFAOYSA-N 1 2 315.804 2.991 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccncc1C#N)CCCC2 ZINC000592108744 398385104 /nfs/dbraw/zinc/38/51/04/398385104.db2.gz QZRMKSNBQYOXHB-GOSISDBHSA-N 1 2 321.428 2.903 20 30 DFEDLO N#Cc1ccc(CCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000596321432 398385657 /nfs/dbraw/zinc/38/56/57/398385657.db2.gz YTLBBQNAZSQTBQ-UHFFFAOYSA-N 1 2 307.401 2.993 20 30 DFEDLO N#Cc1ccc(CCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000596321432 398385658 /nfs/dbraw/zinc/38/56/58/398385658.db2.gz YTLBBQNAZSQTBQ-UHFFFAOYSA-N 1 2 307.401 2.993 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361678 185313924 /nfs/dbraw/zinc/31/39/24/185313924.db2.gz PPAIGFNTGGTSJE-GFCCVEGCSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361678 185313925 /nfs/dbraw/zinc/31/39/25/185313925.db2.gz PPAIGFNTGGTSJE-GFCCVEGCSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361679 185314137 /nfs/dbraw/zinc/31/41/37/185314137.db2.gz PPAIGFNTGGTSJE-LBPRGKRZSA-N 1 2 317.813 2.654 20 30 DFEDLO C=CC[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361679 185314138 /nfs/dbraw/zinc/31/41/38/185314138.db2.gz PPAIGFNTGGTSJE-LBPRGKRZSA-N 1 2 317.813 2.654 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000581172219 398388270 /nfs/dbraw/zinc/38/82/70/398388270.db2.gz MXYGGXKDLYGXCF-CJNGLKHVSA-N 1 2 311.385 2.980 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000592150057 398392114 /nfs/dbraw/zinc/39/21/14/398392114.db2.gz AMBVGRQLRFCDSE-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000592150057 398392121 /nfs/dbraw/zinc/39/21/21/398392121.db2.gz AMBVGRQLRFCDSE-MRXNPFEDSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000592148386 398392391 /nfs/dbraw/zinc/39/23/91/398392391.db2.gz YCGDUMCERIBBAT-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000592148386 398392392 /nfs/dbraw/zinc/39/23/92/398392392.db2.gz YCGDUMCERIBBAT-INIZCTEOSA-N 1 2 317.776 2.845 20 30 DFEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000092831683 185344644 /nfs/dbraw/zinc/34/46/44/185344644.db2.gz ORAGYLXYNFHUGX-MRXNPFEDSA-N 1 2 314.410 2.729 20 30 DFEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000092831683 185344645 /nfs/dbraw/zinc/34/46/45/185344645.db2.gz ORAGYLXYNFHUGX-MRXNPFEDSA-N 1 2 314.410 2.729 20 30 DFEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592158843 398394601 /nfs/dbraw/zinc/39/46/01/398394601.db2.gz WDUBMYHXTAVIMF-UHFFFAOYSA-N 1 2 315.417 2.897 20 30 DFEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000016563995 398401602 /nfs/dbraw/zinc/40/16/02/398401602.db2.gz NPOGDIZLXGZCEG-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000016563995 398401604 /nfs/dbraw/zinc/40/16/04/398401604.db2.gz NPOGDIZLXGZCEG-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000584730815 398404361 /nfs/dbraw/zinc/40/43/61/398404361.db2.gz QQLIHJFEYKVDPI-CABCVRRESA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCCCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000584730815 398404364 /nfs/dbraw/zinc/40/43/64/398404364.db2.gz QQLIHJFEYKVDPI-CABCVRRESA-N 1 2 304.438 2.842 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000592432779 398425143 /nfs/dbraw/zinc/42/51/43/398425143.db2.gz SLPSZXNPYCSKPE-BXUZGUMPSA-N 1 2 311.307 2.772 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000592432781 398425676 /nfs/dbraw/zinc/42/56/76/398425676.db2.gz SLPSZXNPYCSKPE-RISCZKNCSA-N 1 2 311.307 2.772 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190521564 334943074 /nfs/dbraw/zinc/94/30/74/334943074.db2.gz PEJGXIOHRYUKFE-CQSZACIVSA-N 1 2 321.465 2.607 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H](C2CCC2)C1 ZINC000596524687 398438437 /nfs/dbraw/zinc/43/84/37/398438437.db2.gz CUSQCYKPAKDJFX-CQSZACIVSA-N 1 2 310.405 2.756 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000592521776 398440258 /nfs/dbraw/zinc/44/02/58/398440258.db2.gz BZAHFYRSUGZEFR-INIZCTEOSA-N 1 2 315.398 2.676 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000592521776 398440261 /nfs/dbraw/zinc/44/02/61/398440261.db2.gz BZAHFYRSUGZEFR-INIZCTEOSA-N 1 2 315.398 2.676 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000592523359 398440556 /nfs/dbraw/zinc/44/05/56/398440556.db2.gz YWCSCZKXHPBKHS-ZDUSSCGKSA-N 1 2 303.164 2.983 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000592523359 398440559 /nfs/dbraw/zinc/44/05/59/398440559.db2.gz YWCSCZKXHPBKHS-ZDUSSCGKSA-N 1 2 303.164 2.983 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000592521875 398440629 /nfs/dbraw/zinc/44/06/29/398440629.db2.gz CKELWERWSKHGLE-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000592521875 398440630 /nfs/dbraw/zinc/44/06/30/398440630.db2.gz CKELWERWSKHGLE-CYBMUJFWSA-N 1 2 302.271 2.695 20 30 DFEDLO N#CCCC1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000592567561 398446085 /nfs/dbraw/zinc/44/60/85/398446085.db2.gz BQPLXJRKYRXWFR-OAHLLOKOSA-N 1 2 307.344 2.507 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596603747 398459048 /nfs/dbraw/zinc/45/90/48/398459048.db2.gz RAZXPESQPPMSBU-UHFFFAOYSA-N 1 2 324.384 2.696 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000028658084 398475276 /nfs/dbraw/zinc/47/52/76/398475276.db2.gz KYVAENURAJTSHJ-XJKSGUPXSA-N 1 2 311.364 2.682 20 30 DFEDLO C=CCCC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000588019416 398477431 /nfs/dbraw/zinc/47/74/31/398477431.db2.gz HIBSAAGAQGYRKT-UHFFFAOYSA-N 1 2 302.418 2.614 20 30 DFEDLO C[C@H](CC#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000596682941 398478764 /nfs/dbraw/zinc/47/87/64/398478764.db2.gz GFNQWXKXPDMIII-BXUZGUMPSA-N 1 2 316.792 2.829 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000029444157 398485519 /nfs/dbraw/zinc/48/55/19/398485519.db2.gz FSARBUGIIBATIG-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000297360802 398491118 /nfs/dbraw/zinc/49/11/18/398491118.db2.gz OUAVRIKGLWXOLJ-ZFWWWQNUSA-N 1 2 320.437 2.542 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000596742268 398491119 /nfs/dbraw/zinc/49/11/19/398491119.db2.gz VWICRIOSEWNCQE-OAHLLOKOSA-N 1 2 320.396 2.577 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000596742268 398491121 /nfs/dbraw/zinc/49/11/21/398491121.db2.gz VWICRIOSEWNCQE-OAHLLOKOSA-N 1 2 320.396 2.577 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1)C1CC1 ZINC000090616031 398490323 /nfs/dbraw/zinc/49/03/23/398490323.db2.gz YGVJLNJNPJACLE-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1)C1CC1 ZINC000090616031 398490326 /nfs/dbraw/zinc/49/03/26/398490326.db2.gz YGVJLNJNPJACLE-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030608452 398504474 /nfs/dbraw/zinc/50/44/74/398504474.db2.gz QESRDXPKQCGLMR-UHFFFAOYSA-N 1 2 318.336 2.761 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000596846172 398513407 /nfs/dbraw/zinc/51/34/07/398513407.db2.gz VRBSXURLIUUBAQ-UHFFFAOYSA-N 1 2 324.384 2.736 20 30 DFEDLO Cc1nc(C(=O)OCc2c[nH+]ccc2OC(C)C)ccc1C#N ZINC000286829779 219186172 /nfs/dbraw/zinc/18/61/72/219186172.db2.gz DBTZUGRYPSIIKL-UHFFFAOYSA-N 1 2 311.341 2.801 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(CC#N)c3)cn21 ZINC000068571320 398514408 /nfs/dbraw/zinc/51/44/08/398514408.db2.gz OWBHPEXBKUWRCG-UHFFFAOYSA-N 1 2 304.353 2.639 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000592998075 398516085 /nfs/dbraw/zinc/51/60/85/398516085.db2.gz PDAFMJIPFZDNNF-ZBFHGGJFSA-N 1 2 301.346 2.610 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000592998075 398516087 /nfs/dbraw/zinc/51/60/87/398516087.db2.gz PDAFMJIPFZDNNF-ZBFHGGJFSA-N 1 2 301.346 2.610 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(Cl)c(F)c1 ZINC000592999787 398516945 /nfs/dbraw/zinc/51/69/45/398516945.db2.gz RFRCSFKBFCVUOJ-SNVBAGLBSA-N 1 2 302.802 2.778 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(Cl)c(F)c1 ZINC000592999787 398516946 /nfs/dbraw/zinc/51/69/46/398516946.db2.gz RFRCSFKBFCVUOJ-SNVBAGLBSA-N 1 2 302.802 2.778 20 30 DFEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596900610 398525463 /nfs/dbraw/zinc/52/54/63/398525463.db2.gz RITBNVLBKMRPNM-CQSZACIVSA-N 1 2 324.384 2.743 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000589128151 398529093 /nfs/dbraw/zinc/52/90/93/398529093.db2.gz VYWGSDULEMKXCN-OAHLLOKOSA-N 1 2 312.348 2.798 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000589128150 398529123 /nfs/dbraw/zinc/52/91/23/398529123.db2.gz VYWGSDULEMKXCN-HNNXBMFYSA-N 1 2 312.348 2.798 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 ZINC000589127682 398529601 /nfs/dbraw/zinc/52/96/01/398529601.db2.gz LSYUHIXYTYYWFX-MRXNPFEDSA-N 1 2 308.385 2.854 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444736026 297248189 /nfs/dbraw/zinc/24/81/89/297248189.db2.gz VNTMRDVSLYERHT-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444736026 297248191 /nfs/dbraw/zinc/24/81/91/297248191.db2.gz VNTMRDVSLYERHT-FZMZJTMJSA-N 1 2 316.298 2.833 20 30 DFEDLO Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000091628090 398538219 /nfs/dbraw/zinc/53/82/19/398538219.db2.gz PMYIVDZAOHMFTP-AWEZNQCLSA-N 1 2 322.416 2.881 20 30 DFEDLO Cn1cc([C@@H]2OCC[C@H]2C[N@H+](CCC#N)Cc2ccco2)cn1 ZINC000596978139 398539626 /nfs/dbraw/zinc/53/96/26/398539626.db2.gz UVJLYHTUSSYPKJ-WMLDXEAASA-N 1 2 314.389 2.507 20 30 DFEDLO Cn1cc([C@@H]2OCC[C@H]2C[N@@H+](CCC#N)Cc2ccco2)cn1 ZINC000596978139 398539630 /nfs/dbraw/zinc/53/96/30/398539630.db2.gz UVJLYHTUSSYPKJ-WMLDXEAASA-N 1 2 314.389 2.507 20 30 DFEDLO Cc1ncccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000589258878 398542135 /nfs/dbraw/zinc/54/21/35/398542135.db2.gz STHKAJYDZKBPPE-LJQANCHMSA-N 1 2 324.403 2.912 20 30 DFEDLO Cc1nc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)no1 ZINC000596993246 398542234 /nfs/dbraw/zinc/54/22/34/398542234.db2.gz MYPDBTQIHZYFSN-INIZCTEOSA-N 1 2 324.384 2.507 20 30 DFEDLO Cc1nc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)no1 ZINC000596993246 398542236 /nfs/dbraw/zinc/54/22/36/398542236.db2.gz MYPDBTQIHZYFSN-INIZCTEOSA-N 1 2 324.384 2.507 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000589278771 398542819 /nfs/dbraw/zinc/54/28/19/398542819.db2.gz GQFCBXZYKOQLCV-CQSZACIVSA-N 1 2 318.348 2.874 20 30 DFEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccnc(C#N)c1)CC2 ZINC000320620502 398548831 /nfs/dbraw/zinc/54/88/31/398548831.db2.gz WRZYVABDIBJSEK-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccnc(C#N)c1)CC2 ZINC000320620502 398548834 /nfs/dbraw/zinc/54/88/34/398548834.db2.gz WRZYVABDIBJSEK-UHFFFAOYSA-N 1 2 309.369 2.529 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279752450 215115447 /nfs/dbraw/zinc/11/54/47/215115447.db2.gz LOAPBZSCHPJXTO-BBRMVZONSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279752450 215115452 /nfs/dbraw/zinc/11/54/52/215115452.db2.gz LOAPBZSCHPJXTO-BBRMVZONSA-N 1 2 315.417 2.632 20 30 DFEDLO CCC[C@H](C#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000091968166 398551444 /nfs/dbraw/zinc/55/14/44/398551444.db2.gz PUKZWOMPWNCAGC-CVEARBPZSA-N 1 2 317.458 2.585 20 30 DFEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593126611 398553253 /nfs/dbraw/zinc/55/32/53/398553253.db2.gz UFEWLQOFDPPFRI-QGZVFWFLSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1cccc(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593126611 398553259 /nfs/dbraw/zinc/55/32/59/398553259.db2.gz UFEWLQOFDPPFRI-QGZVFWFLSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2nc(C#N)cs2)n1 ZINC000589498534 398557513 /nfs/dbraw/zinc/55/75/13/398557513.db2.gz BMDWDLVYSORBHA-HNNXBMFYSA-N 1 2 315.446 2.883 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2nc(C#N)cs2)n1 ZINC000589498534 398557517 /nfs/dbraw/zinc/55/75/17/398557517.db2.gz BMDWDLVYSORBHA-HNNXBMFYSA-N 1 2 315.446 2.883 20 30 DFEDLO Cc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1C#N ZINC000589686341 398570367 /nfs/dbraw/zinc/57/03/67/398570367.db2.gz AJLFAKLEQVSGEJ-CYBMUJFWSA-N 1 2 301.781 2.953 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000041623505 398571096 /nfs/dbraw/zinc/57/10/96/398571096.db2.gz MYSCMXOXAUCHSI-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000041623505 398571099 /nfs/dbraw/zinc/57/10/99/398571099.db2.gz MYSCMXOXAUCHSI-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000339749587 398578389 /nfs/dbraw/zinc/57/83/89/398578389.db2.gz IZOFHYZODKHNPP-GFCCVEGCSA-N 1 2 322.430 2.515 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000339749587 398578394 /nfs/dbraw/zinc/57/83/94/398578394.db2.gz IZOFHYZODKHNPP-GFCCVEGCSA-N 1 2 322.430 2.515 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597159958 398579205 /nfs/dbraw/zinc/57/92/05/398579205.db2.gz VTUZJHLEAXUCJK-HUUCEWRRSA-N 1 2 302.422 2.702 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597159612 398579324 /nfs/dbraw/zinc/57/93/24/398579324.db2.gz PVKOMHLFMIQNRJ-AWEZNQCLSA-N 1 2 302.422 2.693 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597159612 398579326 /nfs/dbraw/zinc/57/93/26/398579326.db2.gz PVKOMHLFMIQNRJ-AWEZNQCLSA-N 1 2 302.422 2.693 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083688777 192378292 /nfs/dbraw/zinc/37/82/92/192378292.db2.gz LYYFYHRNIAHESN-UHFFFAOYSA-N 1 2 306.837 2.906 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083688777 192378295 /nfs/dbraw/zinc/37/82/95/192378295.db2.gz LYYFYHRNIAHESN-UHFFFAOYSA-N 1 2 306.837 2.906 20 30 DFEDLO C[C@@H](NC(=O)c1cc(C#N)cn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000081549426 282635591 /nfs/dbraw/zinc/63/55/91/282635591.db2.gz BLMNWDVHLMCDER-CYBMUJFWSA-N 1 2 319.368 2.573 20 30 DFEDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccc(C#N)cc1 ZINC000042326755 398588471 /nfs/dbraw/zinc/58/84/71/398588471.db2.gz SHBWNELSKNABSW-CYBMUJFWSA-N 1 2 323.400 2.580 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000597228550 398597729 /nfs/dbraw/zinc/59/77/29/398597729.db2.gz CTBUJWMVGYUKIG-SFHVURJKSA-N 1 2 324.384 2.583 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000597228550 398597733 /nfs/dbraw/zinc/59/77/33/398597733.db2.gz CTBUJWMVGYUKIG-SFHVURJKSA-N 1 2 324.384 2.583 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000350203292 398598559 /nfs/dbraw/zinc/59/85/59/398598559.db2.gz UMJBDJBHMJYXEM-CQSZACIVSA-N 1 2 307.357 2.634 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)C2 ZINC000597249743 398607408 /nfs/dbraw/zinc/60/74/08/398607408.db2.gz ZGGDMTUARYJAID-UGSOOPFHSA-N 1 2 314.433 2.802 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)CC2 ZINC000597249743 398607410 /nfs/dbraw/zinc/60/74/10/398607410.db2.gz ZGGDMTUARYJAID-UGSOOPFHSA-N 1 2 314.433 2.802 20 30 DFEDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597255025 398608381 /nfs/dbraw/zinc/60/83/81/398608381.db2.gz FHKBNQJPSNFBFM-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597255025 398608384 /nfs/dbraw/zinc/60/83/84/398608384.db2.gz FHKBNQJPSNFBFM-MEDUHNTESA-N 1 2 310.344 2.811 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590319159 398612808 /nfs/dbraw/zinc/61/28/08/398612808.db2.gz FWHXXFMWSXYQOT-ZBFHGGJFSA-N 1 2 319.355 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590319159 398612812 /nfs/dbraw/zinc/61/28/12/398612812.db2.gz FWHXXFMWSXYQOT-ZBFHGGJFSA-N 1 2 319.355 2.520 20 30 DFEDLO Cc1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)c(N2CCCC2)[nH+]1 ZINC000351081285 398615841 /nfs/dbraw/zinc/61/58/41/398615841.db2.gz SVMXPAHPZSVBIO-GTNSWQLSSA-N 1 2 309.373 2.841 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093100102 398618854 /nfs/dbraw/zinc/61/88/54/398618854.db2.gz SLOBRNMGTRZILH-UHFFFAOYSA-N 1 2 302.353 2.578 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093100102 398618859 /nfs/dbraw/zinc/61/88/59/398618859.db2.gz SLOBRNMGTRZILH-UHFFFAOYSA-N 1 2 302.353 2.578 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000590363440 398616888 /nfs/dbraw/zinc/61/68/88/398616888.db2.gz WNOMOHNWEDPXKK-CQSZACIVSA-N 1 2 312.417 2.619 20 30 DFEDLO Cc1nnc(NCc2cn3cc(Cl)ccc3[nH+]2)c(C#N)c1C ZINC000043534296 398624400 /nfs/dbraw/zinc/62/44/00/398624400.db2.gz UBYMJWUPXWYVSE-UHFFFAOYSA-N 1 2 312.764 2.878 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000351282962 398627428 /nfs/dbraw/zinc/62/74/28/398627428.db2.gz CPUSQNDFTMGGLQ-KGLIPLIRSA-N 1 2 310.357 2.757 20 30 DFEDLO N#CC1(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC000597361978 398629051 /nfs/dbraw/zinc/62/90/51/398629051.db2.gz VVKFPNWZDMSQSJ-UHFFFAOYSA-N 1 2 300.406 2.980 20 30 DFEDLO N#CC1(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000597361978 398629055 /nfs/dbraw/zinc/62/90/55/398629055.db2.gz VVKFPNWZDMSQSJ-UHFFFAOYSA-N 1 2 300.406 2.980 20 30 DFEDLO C[C@@H](CC#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000597361638 398629098 /nfs/dbraw/zinc/62/90/98/398629098.db2.gz GLQNJYVAPHGCOB-HNNXBMFYSA-N 1 2 310.401 2.682 20 30 DFEDLO CN(C)c1[nH+]cccc1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597360319 398627995 /nfs/dbraw/zinc/62/79/95/398627995.db2.gz JFMWKPBCCKMLIP-UHFFFAOYSA-N 1 2 300.406 2.975 20 30 DFEDLO C[C@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)S1 ZINC000072768544 398635661 /nfs/dbraw/zinc/63/56/61/398635661.db2.gz YERAFBKHUNUZRZ-QWRGUYRKSA-N 1 2 323.849 2.976 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000593534866 398652922 /nfs/dbraw/zinc/65/29/22/398652922.db2.gz GFHVYJNYOHSMPL-CYBMUJFWSA-N 1 2 305.809 2.534 20 30 DFEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000590709290 398656793 /nfs/dbraw/zinc/65/67/93/398656793.db2.gz APROXWUBQJPALK-GOSISDBHSA-N 1 2 313.445 2.894 20 30 DFEDLO Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000590714628 398657286 /nfs/dbraw/zinc/65/72/86/398657286.db2.gz QWCFUMSENCONLA-IBGZPJMESA-N 1 2 324.403 2.912 20 30 DFEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172592825 198120536 /nfs/dbraw/zinc/12/05/36/198120536.db2.gz PQLGGBGGEMRUHH-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000172592825 198120537 /nfs/dbraw/zinc/12/05/37/198120537.db2.gz PQLGGBGGEMRUHH-SNVBAGLBSA-N 1 2 309.822 2.587 20 30 DFEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000597640094 398673095 /nfs/dbraw/zinc/67/30/95/398673095.db2.gz VJLVVLCBPFBXFJ-ZDUSSCGKSA-N 1 2 319.836 2.842 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1cccc(C#N)c1 ZINC000590807650 398678637 /nfs/dbraw/zinc/67/86/37/398678637.db2.gz PJGDBRKPHLXSTH-HUBLWGQQSA-N 1 2 309.373 2.821 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c2[nH+]ccn21 ZINC000590836183 398684758 /nfs/dbraw/zinc/68/47/58/398684758.db2.gz HRACGELXOKCPIR-LYRGGWFBSA-N 1 2 321.384 2.747 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000590859190 398688178 /nfs/dbraw/zinc/68/81/78/398688178.db2.gz DKPNBCHQIIOYDI-CQSZACIVSA-N 1 2 323.400 2.790 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N ZINC000590875327 398692362 /nfs/dbraw/zinc/69/23/62/398692362.db2.gz ZSYJBZXTCAOATO-CYBMUJFWSA-N 1 2 321.384 2.872 20 30 DFEDLO CC[N@H+](Cc1nc(COC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182076546 199382684 /nfs/dbraw/zinc/38/26/84/199382684.db2.gz OGYABTUPNBFSSH-LBPRGKRZSA-N 1 2 300.362 2.671 20 30 DFEDLO CC[N@@H+](Cc1nc(COC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182076546 199382686 /nfs/dbraw/zinc/38/26/86/199382686.db2.gz OGYABTUPNBFSSH-LBPRGKRZSA-N 1 2 300.362 2.671 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000590961751 398708842 /nfs/dbraw/zinc/70/88/42/398708842.db2.gz QXVJSPWIZAHMHO-BJJXKVORSA-N 1 2 323.400 2.686 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000590961754 398708486 /nfs/dbraw/zinc/70/84/86/398708486.db2.gz QXVJSPWIZAHMHO-NOLJZWGESA-N 1 2 323.400 2.686 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000046519064 398712116 /nfs/dbraw/zinc/71/21/16/398712116.db2.gz MUTCDDKTKQRLOE-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000046519064 398712117 /nfs/dbraw/zinc/71/21/17/398712117.db2.gz MUTCDDKTKQRLOE-UHFFFAOYSA-N 1 2 324.340 2.537 20 30 DFEDLO N#CCCN1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000591020506 398716446 /nfs/dbraw/zinc/71/64/46/398716446.db2.gz IRSAOSQMIISXSH-UHFFFAOYSA-N 1 2 314.364 2.512 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](NC(=O)CCCCC#N)C1CCOCC1 ZINC000594020064 398724112 /nfs/dbraw/zinc/72/41/12/398724112.db2.gz UZZSHGOJMUTZRO-INIZCTEOSA-N 1 2 318.421 2.571 20 30 DFEDLO C=CCCSCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000597971758 398730065 /nfs/dbraw/zinc/73/00/65/398730065.db2.gz MQYMPOIVYQYDCA-UHFFFAOYSA-N 1 2 301.415 2.911 20 30 DFEDLO COc1cc2[nH+]ccc(N3CC[C@](F)(C#N)C3)c2cc1OC ZINC000591156038 398733072 /nfs/dbraw/zinc/73/30/72/398733072.db2.gz BNXADVKLFSFZKZ-INIZCTEOSA-N 1 2 301.321 2.694 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cn2ccccc12 ZINC000332212245 283073215 /nfs/dbraw/zinc/07/32/15/283073215.db2.gz JYNRXPYUGIWNDZ-OAHLLOKOSA-N 1 2 323.318 2.700 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cn2ccccc12 ZINC000332212245 283073216 /nfs/dbraw/zinc/07/32/16/283073216.db2.gz JYNRXPYUGIWNDZ-OAHLLOKOSA-N 1 2 323.318 2.700 20 30 DFEDLO C[C@@H](C#N)N(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000598134416 398760097 /nfs/dbraw/zinc/76/00/97/398760097.db2.gz IDWWNDPVMMJMLG-BBRMVZONSA-N 1 2 308.385 2.835 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000598137480 398760973 /nfs/dbraw/zinc/76/09/73/398760973.db2.gz LAVSBPRKAZJASH-VIFPVBQESA-N 1 2 318.327 2.526 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120481240 283151340 /nfs/dbraw/zinc/15/13/40/283151340.db2.gz RNHWKTDFJJPIJA-UHFFFAOYSA-N 1 2 315.392 2.674 20 30 DFEDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 ZINC000074918581 398775311 /nfs/dbraw/zinc/77/53/11/398775311.db2.gz JFCBKIZHGBRRKP-CJNGLKHVSA-N 1 2 323.400 2.932 20 30 DFEDLO N#CCCCCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000594252422 398775605 /nfs/dbraw/zinc/77/56/05/398775605.db2.gz VFKNRJVHZGBHKF-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000594298447 398780441 /nfs/dbraw/zinc/78/04/41/398780441.db2.gz OODWRDSCCCREGI-CYBMUJFWSA-N 1 2 300.406 2.659 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121181870 398785571 /nfs/dbraw/zinc/78/55/71/398785571.db2.gz CVNVZOZQUBFGRA-SFHVURJKSA-N 1 2 318.417 2.606 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121181870 398785573 /nfs/dbraw/zinc/78/55/73/398785573.db2.gz CVNVZOZQUBFGRA-SFHVURJKSA-N 1 2 318.417 2.606 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000121182058 398786076 /nfs/dbraw/zinc/78/60/76/398786076.db2.gz CVNVZOZQUBFGRA-GOSISDBHSA-N 1 2 318.417 2.606 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000121182058 398786081 /nfs/dbraw/zinc/78/60/81/398786081.db2.gz CVNVZOZQUBFGRA-GOSISDBHSA-N 1 2 318.417 2.606 20 30 DFEDLO CCOC(=O)CCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591822215 398791923 /nfs/dbraw/zinc/79/19/23/398791923.db2.gz HIAQEWGAJPDJHQ-UHFFFAOYSA-N 1 2 301.390 2.821 20 30 DFEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccn1 ZINC000591855053 398795302 /nfs/dbraw/zinc/79/53/02/398795302.db2.gz QUNVRRPOBXDIRM-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccn1 ZINC000591855053 398795304 /nfs/dbraw/zinc/79/53/04/398795304.db2.gz QUNVRRPOBXDIRM-IAGOWNOFSA-N 1 2 313.788 2.915 20 30 DFEDLO N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552817 398809880 /nfs/dbraw/zinc/80/98/80/398809880.db2.gz CESNLHJJXLBASK-KXPUMZMLSA-N 1 2 306.369 2.701 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075552003 398809991 /nfs/dbraw/zinc/80/99/91/398809991.db2.gz DASYZKNVOHBQPY-OAHLLOKOSA-N 1 2 311.385 2.994 20 30 DFEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179500027 199046573 /nfs/dbraw/zinc/04/65/73/199046573.db2.gz BEDVIPKMPXARON-INIZCTEOSA-N 1 2 307.401 2.933 20 30 DFEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179500027 199046575 /nfs/dbraw/zinc/04/65/75/199046575.db2.gz BEDVIPKMPXARON-INIZCTEOSA-N 1 2 307.401 2.933 20 30 DFEDLO N#Cc1c(-n2cccn2)cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594548910 398819335 /nfs/dbraw/zinc/81/93/35/398819335.db2.gz XVAAXYRUIPWVCO-OAHLLOKOSA-N 1 2 318.384 2.782 20 30 DFEDLO C#CCCCCC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000179930097 199095656 /nfs/dbraw/zinc/09/56/56/199095656.db2.gz ZTCHYJVVOKHCOZ-OAHLLOKOSA-N 1 2 308.372 2.877 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000598606448 398840800 /nfs/dbraw/zinc/84/08/00/398840800.db2.gz GKPJJFXKFAUROZ-RYUDHWBXSA-N 1 2 311.476 2.534 20 30 DFEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000598606448 398840802 /nfs/dbraw/zinc/84/08/02/398840802.db2.gz GKPJJFXKFAUROZ-RYUDHWBXSA-N 1 2 311.476 2.534 20 30 DFEDLO COc1ccc(C#N)cc1CSc1[nH+]cnc2c1cnn2C ZINC000152724908 283336370 /nfs/dbraw/zinc/33/63/70/283336370.db2.gz JFAOVBNYPDLUAG-UHFFFAOYSA-N 1 2 311.370 2.536 20 30 DFEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cscn1 ZINC000594712060 398847428 /nfs/dbraw/zinc/84/74/28/398847428.db2.gz PKAIRLPEAFKFHS-KOLCDFICSA-N 1 2 318.427 2.532 20 30 DFEDLO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccn1 ZINC000052832646 398852664 /nfs/dbraw/zinc/85/26/64/398852664.db2.gz CTBRDKFKIYWLCK-UHFFFAOYSA-N 1 2 314.414 2.864 20 30 DFEDLO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccn1 ZINC000052832646 398852669 /nfs/dbraw/zinc/85/26/69/398852669.db2.gz CTBRDKFKIYWLCK-UHFFFAOYSA-N 1 2 314.414 2.864 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649209 398847740 /nfs/dbraw/zinc/84/77/40/398847740.db2.gz KQYFRBDNROFJEV-ZBFHGGJFSA-N 1 2 315.408 2.844 20 30 DFEDLO N#CC1(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CCCCC1 ZINC000594718080 398847933 /nfs/dbraw/zinc/84/79/33/398847933.db2.gz PVPWLDVKVOARPU-HNNXBMFYSA-N 1 2 319.836 2.800 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000598836287 398881463 /nfs/dbraw/zinc/88/14/63/398881463.db2.gz FMPVQVPUMCBOIZ-LNLFQRSKSA-N 1 2 313.445 2.605 20 30 DFEDLO CC(C)n1cc[nH+]c1CNc1cnn(-c2ncccc2C#N)c1 ZINC000594947053 398878814 /nfs/dbraw/zinc/87/88/14/398878814.db2.gz RCXGGKIDZYILCI-UHFFFAOYSA-N 1 2 307.361 2.528 20 30 DFEDLO N#Cc1csc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)n1 ZINC000594968079 398883197 /nfs/dbraw/zinc/88/31/97/398883197.db2.gz MZOTWCRIHNUYJB-LLVKDONJSA-N 1 2 319.352 2.994 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000143108230 398900853 /nfs/dbraw/zinc/90/08/53/398900853.db2.gz CGWJXMRUNFGGTI-KKUMJFAQSA-N 1 2 301.434 2.906 20 30 DFEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000143108230 398900855 /nfs/dbraw/zinc/90/08/55/398900855.db2.gz CGWJXMRUNFGGTI-KKUMJFAQSA-N 1 2 301.434 2.906 20 30 DFEDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188453714 200249166 /nfs/dbraw/zinc/24/91/66/200249166.db2.gz GPAQLBMANXFJER-HNNXBMFYSA-N 1 2 324.384 2.500 20 30 DFEDLO C=CCCN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000276166887 212709610 /nfs/dbraw/zinc/70/96/10/212709610.db2.gz SKRJAHDABKGKIJ-UHFFFAOYSA-N 1 2 300.406 2.952 20 30 DFEDLO C[N@@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000599159497 398930982 /nfs/dbraw/zinc/93/09/82/398930982.db2.gz CEGDFTGGXVZVHL-GFCCVEGCSA-N 1 2 316.792 2.502 20 30 DFEDLO C[N@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000599159497 398930984 /nfs/dbraw/zinc/93/09/84/398930984.db2.gz CEGDFTGGXVZVHL-GFCCVEGCSA-N 1 2 316.792 2.502 20 30 DFEDLO COc1ncc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000595425688 398936232 /nfs/dbraw/zinc/93/62/32/398936232.db2.gz KHTSKBYAMMKAHH-UHFFFAOYSA-N 1 2 324.222 2.978 20 30 DFEDLO N#CCN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000078207350 398943115 /nfs/dbraw/zinc/94/31/15/398943115.db2.gz IGVOJGDALSUFQZ-OAHLLOKOSA-N 1 2 312.417 2.593 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000595467628 398945108 /nfs/dbraw/zinc/94/51/08/398945108.db2.gz SDNZPEPPRXHEOJ-OAHLLOKOSA-N 1 2 323.400 2.708 20 30 DFEDLO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(C#N)c1 ZINC000078291299 398946426 /nfs/dbraw/zinc/94/64/26/398946426.db2.gz TWEBMXWAJZSIEA-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1cccc(C#N)c1 ZINC000078291299 398946429 /nfs/dbraw/zinc/94/64/29/398946429.db2.gz TWEBMXWAJZSIEA-UHFFFAOYSA-N 1 2 305.341 2.635 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccon3)CC2)cc1Cl ZINC000078451165 398956648 /nfs/dbraw/zinc/95/66/48/398956648.db2.gz RYFRSGHHVWLPQO-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000595528272 398957621 /nfs/dbraw/zinc/95/76/21/398957621.db2.gz PEXYOJIMLSXKEV-UHFFFAOYSA-N 1 2 300.337 2.526 20 30 DFEDLO Cc1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C#N ZINC000599391136 398970912 /nfs/dbraw/zinc/97/09/12/398970912.db2.gz NCOALBNYLNYQNU-KRWDZBQOSA-N 1 2 312.442 2.890 20 30 DFEDLO Cc1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C#N ZINC000599391136 398970917 /nfs/dbraw/zinc/97/09/17/398970917.db2.gz NCOALBNYLNYQNU-KRWDZBQOSA-N 1 2 312.442 2.890 20 30 DFEDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CCCCCC1 ZINC000599454429 398986179 /nfs/dbraw/zinc/98/61/79/398986179.db2.gz NHPPAQCGHXFSNZ-JKSUJKDBSA-N 1 2 322.449 2.533 20 30 DFEDLO COCCC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000599506323 398997816 /nfs/dbraw/zinc/99/78/16/398997816.db2.gz IEMDWGUDULTTOQ-QGZVFWFLSA-N 1 2 316.401 2.521 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611717 398999172 /nfs/dbraw/zinc/99/91/72/398999172.db2.gz NJXCSGHIOHKKOC-CQSZACIVSA-N 1 2 301.390 2.649 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611717 398999177 /nfs/dbraw/zinc/99/91/77/398999177.db2.gz NJXCSGHIOHKKOC-CQSZACIVSA-N 1 2 301.390 2.649 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514772 399000445 /nfs/dbraw/zinc/00/04/45/399000445.db2.gz ZRTVTECOFYNKNO-JMSVASOKSA-N 1 2 322.355 2.995 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595615698 399002984 /nfs/dbraw/zinc/00/29/84/399002984.db2.gz MYDCZUQASIZNTN-NSHDSACASA-N 1 2 300.318 2.862 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595615698 399002989 /nfs/dbraw/zinc/00/29/89/399002989.db2.gz MYDCZUQASIZNTN-NSHDSACASA-N 1 2 300.318 2.862 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615198 399003294 /nfs/dbraw/zinc/00/32/94/399003294.db2.gz KTQSGGKSIFRJSS-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615198 399003296 /nfs/dbraw/zinc/00/32/96/399003296.db2.gz KTQSGGKSIFRJSS-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000595629791 399010546 /nfs/dbraw/zinc/01/05/46/399010546.db2.gz LJXXUWMXCOKLDW-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO COc1cccc([C@@H](Nc2ncccc2C#N)c2[nH+]ccn2C)c1 ZINC000248146282 202723769 /nfs/dbraw/zinc/72/37/69/202723769.db2.gz SNPSYLGUZZODJN-MRXNPFEDSA-N 1 2 319.368 2.897 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)COC ZINC000595639003 399014634 /nfs/dbraw/zinc/01/46/34/399014634.db2.gz QSNQJHKSDSZMSK-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)COC ZINC000595639003 399014641 /nfs/dbraw/zinc/01/46/41/399014641.db2.gz QSNQJHKSDSZMSK-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)C1CC1 ZINC000275423214 212324541 /nfs/dbraw/zinc/32/45/41/212324541.db2.gz GOKPWLRVGPRETC-UHFFFAOYSA-N 1 2 312.369 2.788 20 30 DFEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)C1CC1 ZINC000275423214 212324539 /nfs/dbraw/zinc/32/45/39/212324539.db2.gz GOKPWLRVGPRETC-UHFFFAOYSA-N 1 2 312.369 2.788 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCC1 ZINC000595674284 399029182 /nfs/dbraw/zinc/02/91/82/399029182.db2.gz ISNAXBHUAGYAAX-INIZCTEOSA-N 1 2 313.401 2.759 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCC1 ZINC000595674284 399029185 /nfs/dbraw/zinc/02/91/85/399029185.db2.gz ISNAXBHUAGYAAX-INIZCTEOSA-N 1 2 313.401 2.759 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595680480 399032606 /nfs/dbraw/zinc/03/26/06/399032606.db2.gz HRRDSLUWXOXWHY-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595680480 399032612 /nfs/dbraw/zinc/03/26/12/399032612.db2.gz HRRDSLUWXOXWHY-LBPRGKRZSA-N 1 2 301.346 2.610 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000595691430 399036676 /nfs/dbraw/zinc/03/66/76/399036676.db2.gz IFPUWZBNISJAKN-ZIBATOQPSA-N 1 2 307.344 2.964 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595690202 399036750 /nfs/dbraw/zinc/03/67/50/399036750.db2.gz AFTGSONMQLLEKP-YPMHNXCESA-N 1 2 321.808 2.959 20 30 DFEDLO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000595696899 399040756 /nfs/dbraw/zinc/04/07/56/399040756.db2.gz FJMVTAAMJXZILB-RDJZCZTQSA-N 1 2 310.401 2.605 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595697320 399040821 /nfs/dbraw/zinc/04/08/21/399040821.db2.gz FOZFPMDRTLCUFW-SLEUVZQESA-N 1 2 316.361 2.594 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595697322 399040859 /nfs/dbraw/zinc/04/08/59/399040859.db2.gz FOZFPMDRTLCUFW-ZOWXZIJZSA-N 1 2 316.361 2.594 20 30 DFEDLO COc1cccc2c1C[N@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000599648027 399043134 /nfs/dbraw/zinc/04/31/34/399043134.db2.gz YFIPLXLWSWRORD-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1cccc2c1C[N@@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000599648027 399043140 /nfs/dbraw/zinc/04/31/40/399043140.db2.gz YFIPLXLWSWRORD-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)N(CCC#N)c1ccccc1 ZINC000595704050 399045821 /nfs/dbraw/zinc/04/58/21/399045821.db2.gz PUNJNZAMCFLTKT-LZLYRXPVSA-N 1 2 324.428 2.994 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702741 399045946 /nfs/dbraw/zinc/04/59/46/399045946.db2.gz JNIGBAJOLFRVBF-SWLSCSKDSA-N 1 2 301.365 2.523 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702741 399045948 /nfs/dbraw/zinc/04/59/48/399045948.db2.gz JNIGBAJOLFRVBF-SWLSCSKDSA-N 1 2 301.365 2.523 20 30 DFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000057551992 399049660 /nfs/dbraw/zinc/04/96/60/399049660.db2.gz LHIDUCRALWGCIV-AWEZNQCLSA-N 1 2 303.406 2.751 20 30 DFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000057551992 399049662 /nfs/dbraw/zinc/04/96/62/399049662.db2.gz LHIDUCRALWGCIV-AWEZNQCLSA-N 1 2 303.406 2.751 20 30 DFEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000599668368 399053566 /nfs/dbraw/zinc/05/35/66/399053566.db2.gz XDBYBCICKPWYNZ-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000599668368 399053569 /nfs/dbraw/zinc/05/35/69/399053569.db2.gz XDBYBCICKPWYNZ-KRWDZBQOSA-N 1 2 324.355 2.970 20 30 DFEDLO C=CCCSCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000595721550 399054232 /nfs/dbraw/zinc/05/42/32/399054232.db2.gz YDAPFWKONYQEPO-CYBMUJFWSA-N 1 2 322.478 2.822 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000599670368 399054760 /nfs/dbraw/zinc/05/47/60/399054760.db2.gz JHQFJTMOZNISGX-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000599670368 399054764 /nfs/dbraw/zinc/05/47/64/399054764.db2.gz JHQFJTMOZNISGX-QGZVFWFLSA-N 1 2 324.355 2.970 20 30 DFEDLO Cc1nnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1C1CC1 ZINC000599679861 399060674 /nfs/dbraw/zinc/06/06/74/399060674.db2.gz YPCIORSGLAHSGY-UHFFFAOYSA-N 1 2 307.401 2.546 20 30 DFEDLO Cc1nnc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1C1CC1 ZINC000599679861 399060676 /nfs/dbraw/zinc/06/06/76/399060676.db2.gz YPCIORSGLAHSGY-UHFFFAOYSA-N 1 2 307.401 2.546 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC1CCCCC1)C2 ZINC000599686348 399062872 /nfs/dbraw/zinc/06/28/72/399062872.db2.gz QYTINFCLJRVSCH-UHFFFAOYSA-N 1 2 311.429 2.560 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NC1CCCCC1)C2 ZINC000599686348 399062881 /nfs/dbraw/zinc/06/28/81/399062881.db2.gz QYTINFCLJRVSCH-UHFFFAOYSA-N 1 2 311.429 2.560 20 30 DFEDLO COC(=O)c1ccoc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686584 399062891 /nfs/dbraw/zinc/06/28/91/399062891.db2.gz TXXKTPKVGFOXEI-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO COC(=O)c1ccoc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686584 399062895 /nfs/dbraw/zinc/06/28/95/399062895.db2.gz TXXKTPKVGFOXEI-UHFFFAOYSA-N 1 2 310.353 2.691 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)CC2 ZINC000599710599 399072738 /nfs/dbraw/zinc/07/27/38/399072738.db2.gz JRTSNWMVAWZEEQ-IRXDYDNUSA-N 1 2 322.412 2.915 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000595784933 399083491 /nfs/dbraw/zinc/08/34/91/399083491.db2.gz KPFRGQNGQNMBKQ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000595784933 399083498 /nfs/dbraw/zinc/08/34/98/399083498.db2.gz KPFRGQNGQNMBKQ-RISCZKNCSA-N 1 2 314.307 2.589 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834190 399105479 /nfs/dbraw/zinc/10/54/79/399105479.db2.gz HSISLAICLGDKPX-IBGZPJMESA-N 1 2 313.445 2.704 20 30 DFEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834190 399105486 /nfs/dbraw/zinc/10/54/86/399105486.db2.gz HSISLAICLGDKPX-IBGZPJMESA-N 1 2 313.445 2.704 20 30 DFEDLO CC1CCC(N(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)C2CC2)CC1 ZINC000595838365 399107029 /nfs/dbraw/zinc/10/70/29/399107029.db2.gz AZBSOYCEFNWSAP-JTTJXQCZSA-N 1 2 303.450 2.792 20 30 DFEDLO CC1CCC(N(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)C2CC2)CC1 ZINC000595838365 399107034 /nfs/dbraw/zinc/10/70/34/399107034.db2.gz AZBSOYCEFNWSAP-JTTJXQCZSA-N 1 2 303.450 2.792 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595839628 399108105 /nfs/dbraw/zinc/10/81/05/399108105.db2.gz KMXKXILKPJQSKK-SJLPKXTDSA-N 1 2 315.392 2.865 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595839628 399108110 /nfs/dbraw/zinc/10/81/10/399108110.db2.gz KMXKXILKPJQSKK-SJLPKXTDSA-N 1 2 315.392 2.865 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000595839964 399108375 /nfs/dbraw/zinc/10/83/75/399108375.db2.gz MYBTYIXAONDFKN-IBGZPJMESA-N 1 2 323.396 2.945 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000595839964 399108379 /nfs/dbraw/zinc/10/83/79/399108379.db2.gz MYBTYIXAONDFKN-IBGZPJMESA-N 1 2 323.396 2.945 20 30 DFEDLO C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595845700 399111465 /nfs/dbraw/zinc/11/14/65/399111465.db2.gz UMJRXCIALHPNCS-CHWSQXEVSA-N 1 2 311.389 2.755 20 30 DFEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@]1(C)CO ZINC000595859804 399115094 /nfs/dbraw/zinc/11/50/94/399115094.db2.gz CDGJONRBXPLBRK-XHDPSFHLSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@]1(C)CO ZINC000595859804 399115102 /nfs/dbraw/zinc/11/51/02/399115102.db2.gz CDGJONRBXPLBRK-XHDPSFHLSA-N 1 2 323.234 2.771 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4cccc(F)c4C3)n2c1 ZINC000093454249 193254456 /nfs/dbraw/zinc/25/44/56/193254456.db2.gz KDJPAOLXNHYFSN-UHFFFAOYSA-N 1 2 306.344 2.903 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4cccc(F)c4C3)n2c1 ZINC000093454249 193254457 /nfs/dbraw/zinc/25/44/57/193254457.db2.gz KDJPAOLXNHYFSN-UHFFFAOYSA-N 1 2 306.344 2.903 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCc4cccc(F)c4C3)n2c1 ZINC000093454249 193254458 /nfs/dbraw/zinc/25/44/58/193254458.db2.gz KDJPAOLXNHYFSN-UHFFFAOYSA-N 1 2 306.344 2.903 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)o1 ZINC000093740583 193298363 /nfs/dbraw/zinc/29/83/63/193298363.db2.gz WZAJEVZHNIAXGQ-UHFFFAOYSA-N 1 2 323.352 2.666 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)o1 ZINC000093740583 193298364 /nfs/dbraw/zinc/29/83/64/193298364.db2.gz WZAJEVZHNIAXGQ-UHFFFAOYSA-N 1 2 323.352 2.666 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccsc4)C3)n2c1 ZINC000093768312 193302459 /nfs/dbraw/zinc/30/24/59/193302459.db2.gz IIEHHYJWBUWJMH-MRXNPFEDSA-N 1 2 324.409 2.841 20 30 DFEDLO CC(C)n1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000178868098 399127836 /nfs/dbraw/zinc/12/78/36/399127836.db2.gz WGQQPDWZFOOTQD-LJQANCHMSA-N 1 2 323.444 2.846 20 30 DFEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000595919015 399136818 /nfs/dbraw/zinc/13/68/18/399136818.db2.gz PZCIFZNGKCVIIE-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000595919015 399136821 /nfs/dbraw/zinc/13/68/21/399136821.db2.gz PZCIFZNGKCVIIE-BZNIZROVSA-N 1 2 310.344 2.811 20 30 DFEDLO N#Cc1ccc(-c2ccc(N3CCSCC3)[nH+]c2)c(CO)c1 ZINC000600780170 399143073 /nfs/dbraw/zinc/14/30/73/399143073.db2.gz JQSBJBNCPREYOT-UHFFFAOYSA-N 1 2 311.410 2.666 20 30 DFEDLO Cc1[nH+]c2ccccc2n1Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813432 399153816 /nfs/dbraw/zinc/15/38/16/399153816.db2.gz QGHWNSPZTYLHAQ-HIFRSBDPSA-N 1 2 306.373 2.849 20 30 DFEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000183816733 399155175 /nfs/dbraw/zinc/15/51/75/399155175.db2.gz RCVXEPBZBOZRBZ-JTQLQIEISA-N 1 2 301.371 2.788 20 30 DFEDLO COCC1=CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000614222330 399179960 /nfs/dbraw/zinc/17/99/60/399179960.db2.gz MUTMCUDTXHSOKC-UHFFFAOYSA-N 1 2 322.412 2.831 20 30 DFEDLO COCC1=CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000614222330 399179964 /nfs/dbraw/zinc/17/99/64/399179964.db2.gz MUTMCUDTXHSOKC-UHFFFAOYSA-N 1 2 322.412 2.831 20 30 DFEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000266009877 205023734 /nfs/dbraw/zinc/02/37/34/205023734.db2.gz RQGCYTFFQLYGLS-HNNXBMFYSA-N 1 2 324.403 2.971 20 30 DFEDLO N#CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000600982288 399194333 /nfs/dbraw/zinc/19/43/33/399194333.db2.gz SSZXBEFOJFUWMV-UHFFFAOYSA-N 1 2 320.396 2.678 20 30 DFEDLO N#Cc1cc2cccnc2nc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000596157207 399195935 /nfs/dbraw/zinc/19/59/35/399195935.db2.gz ZYCAWWNUFYIVCX-CQSZACIVSA-N 1 2 304.357 2.956 20 30 DFEDLO CC1(C)CN=C(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)S1 ZINC000081017093 399203234 /nfs/dbraw/zinc/20/32/34/399203234.db2.gz MXEVTKAXDSSKOM-UHFFFAOYSA-N 1 2 314.458 2.557 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043285 399207088 /nfs/dbraw/zinc/20/70/88/399207088.db2.gz IRONXHQMOLHUBM-ZDUSSCGKSA-N 1 2 303.381 2.629 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043285 399207091 /nfs/dbraw/zinc/20/70/91/399207091.db2.gz IRONXHQMOLHUBM-ZDUSSCGKSA-N 1 2 303.381 2.629 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccsc1)C[C@H](C)C#N ZINC000064249131 399218007 /nfs/dbraw/zinc/21/80/07/399218007.db2.gz CFLFYYWFISKWOD-HIFRSBDPSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccsc1)C[C@H](C)C#N ZINC000064249131 399218010 /nfs/dbraw/zinc/21/80/10/399218010.db2.gz CFLFYYWFISKWOD-HIFRSBDPSA-N 1 2 305.447 2.893 20 30 DFEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000192222796 335023845 /nfs/dbraw/zinc/02/38/45/335023845.db2.gz IMXBVHPKCXNANB-UHFFFAOYSA-N 1 2 312.192 2.626 20 30 DFEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000192222796 335023847 /nfs/dbraw/zinc/02/38/47/335023847.db2.gz IMXBVHPKCXNANB-UHFFFAOYSA-N 1 2 312.192 2.626 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)ccn1 ZINC000618758465 399231080 /nfs/dbraw/zinc/23/10/80/399231080.db2.gz ZEUVRPGDKXEALF-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)ccn1 ZINC000618758465 399231085 /nfs/dbraw/zinc/23/10/85/399231085.db2.gz ZEUVRPGDKXEALF-HNNXBMFYSA-N 1 2 312.348 2.531 20 30 DFEDLO CC(C)CN1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000614598822 399251044 /nfs/dbraw/zinc/25/10/44/399251044.db2.gz HTMGGZXVQSWXJD-UHFFFAOYSA-N 1 2 313.445 2.788 20 30 DFEDLO CC(C)CN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000614598822 399251047 /nfs/dbraw/zinc/25/10/47/399251047.db2.gz HTMGGZXVQSWXJD-UHFFFAOYSA-N 1 2 313.445 2.788 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285829271 335029968 /nfs/dbraw/zinc/02/99/68/335029968.db2.gz VXCZTEBCOZIUTB-RYUDHWBXSA-N 1 2 309.360 2.600 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000286245326 335031112 /nfs/dbraw/zinc/03/11/12/335031112.db2.gz RZCFOQIVZAKFLH-UHFFFAOYSA-N 1 2 301.415 2.603 20 30 DFEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000286245326 335031113 /nfs/dbraw/zinc/03/11/13/335031113.db2.gz RZCFOQIVZAKFLH-UHFFFAOYSA-N 1 2 301.415 2.603 20 30 DFEDLO N#CCCN1CC[NH+]([C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000601316645 399276325 /nfs/dbraw/zinc/27/63/25/399276325.db2.gz OLYXFHOQDYKCFR-MRXNPFEDSA-N 1 2 307.800 2.998 20 30 DFEDLO C[C@H](c1ccccc1OC(F)F)[NH+]1CCN(CCC#N)CC1 ZINC000601315119 399275606 /nfs/dbraw/zinc/27/56/06/399275606.db2.gz FGSHWTJKBSYJFA-CYBMUJFWSA-N 1 2 309.360 2.880 20 30 DFEDLO C[C@H](c1cc(-c2ccccc2)nn1C)[NH+]1CCN(CCC#N)CC1 ZINC000601316012 399275919 /nfs/dbraw/zinc/27/59/19/399275919.db2.gz FOMKQFWNEJSQKI-MRXNPFEDSA-N 1 2 323.444 2.679 20 30 DFEDLO Cc1cccn2cc(CC(=O)NCc3ccc(C#N)cc3F)[nH+]c12 ZINC000609228848 399310004 /nfs/dbraw/zinc/31/00/04/399310004.db2.gz SLDLHLNHIINUTA-UHFFFAOYSA-N 1 2 322.343 2.512 20 30 DFEDLO N#C[C@H]1N(Cc2c[nH+]c3ccccn23)CCC[C@@]12CCCCO2 ZINC000619196539 399312160 /nfs/dbraw/zinc/31/21/60/399312160.db2.gz IJZXFIKFNNRAFT-AEFFLSMTSA-N 1 2 310.401 2.762 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCCc2sccc2C1 ZINC000609333739 399314510 /nfs/dbraw/zinc/31/45/10/399314510.db2.gz IHNOPUUJWRJLSY-UHFFFAOYSA-N 1 2 324.413 2.754 20 30 DFEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@H]1C ZINC000615234648 399315336 /nfs/dbraw/zinc/31/53/36/399315336.db2.gz KKUMPVNLMWFRPL-AUUYWEPGSA-N 1 2 324.428 2.909 20 30 DFEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC[C@H]1C ZINC000615234648 399315337 /nfs/dbraw/zinc/31/53/37/399315337.db2.gz KKUMPVNLMWFRPL-AUUYWEPGSA-N 1 2 324.428 2.909 20 30 DFEDLO OC[C@@]1(F)CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000286793135 335039960 /nfs/dbraw/zinc/03/99/60/335039960.db2.gz IHBMJJDTBOOFQU-OAHLLOKOSA-N 1 2 315.310 2.853 20 30 DFEDLO OC[C@@]1(F)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000286793135 335039962 /nfs/dbraw/zinc/03/99/62/335039962.db2.gz IHBMJJDTBOOFQU-OAHLLOKOSA-N 1 2 315.310 2.853 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CSc2ccccc21 ZINC000609797727 399331847 /nfs/dbraw/zinc/33/18/47/399331847.db2.gz PDASXYVKIVTTTR-CYBMUJFWSA-N 1 2 322.397 2.999 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004548 399338503 /nfs/dbraw/zinc/33/85/03/399338503.db2.gz OYHSTZBYHYGIQR-ZDUSSCGKSA-N 1 2 303.381 2.507 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000610004548 399338505 /nfs/dbraw/zinc/33/85/05/399338505.db2.gz OYHSTZBYHYGIQR-ZDUSSCGKSA-N 1 2 303.381 2.507 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)CC(C)C ZINC000619433907 399345714 /nfs/dbraw/zinc/34/57/14/399345714.db2.gz NLCFCZSFFPBSIU-LLVKDONJSA-N 1 2 320.343 2.677 20 30 DFEDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000104716564 194029078 /nfs/dbraw/zinc/02/90/78/194029078.db2.gz WDSKZFRXTXKYRA-LBPRGKRZSA-N 1 2 312.373 2.854 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1cc(C#N)nc3ccccc31)C2 ZINC000610277717 399352847 /nfs/dbraw/zinc/35/28/47/399352847.db2.gz YXEGJMMQCQRDCI-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(OC)c1 ZINC000601927472 399359500 /nfs/dbraw/zinc/35/95/00/399359500.db2.gz DUGXTNNQBVOYIK-DUVNUKRYSA-N 1 2 302.374 2.581 20 30 DFEDLO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000619620595 399368937 /nfs/dbraw/zinc/36/89/37/399368937.db2.gz RPLUQSSNQJUVLE-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000619620595 399368940 /nfs/dbraw/zinc/36/89/40/399368940.db2.gz RPLUQSSNQJUVLE-STQMWFEESA-N 1 2 320.355 2.739 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601967438 399371214 /nfs/dbraw/zinc/37/12/14/399371214.db2.gz ITXMLVYPRQYYTA-IAQYHMDHSA-N 1 2 309.772 2.936 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CSCc1cccc2cccnc21 ZINC000601964494 399370521 /nfs/dbraw/zinc/37/05/21/399370521.db2.gz PBAHOAZOCGNLNH-INIZCTEOSA-N 1 2 315.442 2.674 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CSCc1cccc2cccnc21 ZINC000601964494 399370522 /nfs/dbraw/zinc/37/05/22/399370522.db2.gz PBAHOAZOCGNLNH-INIZCTEOSA-N 1 2 315.442 2.674 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCc2c1cccc2O ZINC000610489053 399372387 /nfs/dbraw/zinc/37/23/87/399372387.db2.gz SUEYVJAHFBZBJQ-CQSZACIVSA-N 1 2 320.356 2.545 20 30 DFEDLO C=C[C@H]([NH2+]CCCc1cccc(Br)c1)C(=O)OC ZINC000619701510 399380196 /nfs/dbraw/zinc/38/01/96/399380196.db2.gz LKJXLNHFHAAJKT-ZDUSSCGKSA-N 1 2 312.207 2.699 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1cccc(Br)c1 ZINC000619716795 399381700 /nfs/dbraw/zinc/38/17/00/399381700.db2.gz KCNGZAAOMCMUOA-CYBMUJFWSA-N 1 2 312.207 2.999 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1cccc(Br)c1 ZINC000619716795 399381703 /nfs/dbraw/zinc/38/17/03/399381703.db2.gz KCNGZAAOMCMUOA-CYBMUJFWSA-N 1 2 312.207 2.999 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000619717151 399381433 /nfs/dbraw/zinc/38/14/33/399381433.db2.gz BMABBMJVMOQVDX-MRXNPFEDSA-N 1 2 303.402 2.677 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000619717191 399381448 /nfs/dbraw/zinc/38/14/48/399381448.db2.gz IKGGUQPOKNAOTB-KRWDZBQOSA-N 1 2 314.385 2.934 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000619717191 399381450 /nfs/dbraw/zinc/38/14/50/399381450.db2.gz IKGGUQPOKNAOTB-KRWDZBQOSA-N 1 2 314.385 2.934 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000619719006 399382396 /nfs/dbraw/zinc/38/23/96/399382396.db2.gz MVKWNOUKWHEDTI-JSGCOSHPSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000619719006 399382399 /nfs/dbraw/zinc/38/23/99/399382399.db2.gz MVKWNOUKWHEDTI-JSGCOSHPSA-N 1 2 320.458 2.929 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000619719591 399382565 /nfs/dbraw/zinc/38/25/65/399382565.db2.gz NSHOLKYQXQUFIN-GJZGRUSLSA-N 1 2 305.349 2.591 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000619719591 399382568 /nfs/dbraw/zinc/38/25/68/399382568.db2.gz NSHOLKYQXQUFIN-GJZGRUSLSA-N 1 2 305.349 2.591 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1ccccc1=O ZINC000610604068 399385654 /nfs/dbraw/zinc/38/56/54/399385654.db2.gz PILJXSQIOUWHMN-ROUUACIJSA-N 1 2 307.397 2.620 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccccc1=O ZINC000610604068 399385656 /nfs/dbraw/zinc/38/56/56/399385656.db2.gz PILJXSQIOUWHMN-ROUUACIJSA-N 1 2 307.397 2.620 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287042839 335043811 /nfs/dbraw/zinc/04/38/11/335043811.db2.gz TURPGDYZQMMHEE-YPMHNXCESA-N 1 2 321.446 2.531 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287042839 335043812 /nfs/dbraw/zinc/04/38/12/335043812.db2.gz TURPGDYZQMMHEE-YPMHNXCESA-N 1 2 321.446 2.531 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC=CCC3)CC2)cc1 ZINC000602032802 399387998 /nfs/dbraw/zinc/38/79/98/399387998.db2.gz KJZLCDFHAGOPKM-UHFFFAOYSA-N 1 2 323.440 2.949 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602059723 399390369 /nfs/dbraw/zinc/39/03/69/399390369.db2.gz RZKVOBRFBYBBMN-HZPDHXFCSA-N 1 2 308.385 2.824 20 30 DFEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602059723 399390373 /nfs/dbraw/zinc/39/03/73/399390373.db2.gz RZKVOBRFBYBBMN-HZPDHXFCSA-N 1 2 308.385 2.824 20 30 DFEDLO Cc1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc[nH+]1 ZINC000619790298 399392410 /nfs/dbraw/zinc/39/24/10/399392410.db2.gz RKORFCOBQURUPD-UHFFFAOYSA-N 1 2 300.749 2.659 20 30 DFEDLO C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602104213 399395541 /nfs/dbraw/zinc/39/55/41/399395541.db2.gz ZGOSEQLQIJWXLZ-UGSOOPFHSA-N 1 2 324.384 2.780 20 30 DFEDLO N#CCC1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602132119 399399331 /nfs/dbraw/zinc/39/93/31/399399331.db2.gz XUPIJZOSWQCSEU-LBPRGKRZSA-N 1 2 314.311 2.529 20 30 DFEDLO CCc1c[nH]c(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000602133111 399399342 /nfs/dbraw/zinc/39/93/42/399399342.db2.gz NMKOUDSTLATYLZ-UHFFFAOYSA-N 1 2 320.396 2.702 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000602322067 399424178 /nfs/dbraw/zinc/42/41/78/399424178.db2.gz ZEWYCYCFUUQXKT-HNNXBMFYSA-N 1 2 311.389 2.986 20 30 DFEDLO CC[C@@](C)(C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)OC ZINC000602429818 399441595 /nfs/dbraw/zinc/44/15/95/399441595.db2.gz ZODPPJIQVXQDOG-MSOLQXFVSA-N 1 2 301.434 2.511 20 30 DFEDLO CC[C@@](C)(C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)OC ZINC000602429818 399441597 /nfs/dbraw/zinc/44/15/97/399441597.db2.gz ZODPPJIQVXQDOG-MSOLQXFVSA-N 1 2 301.434 2.511 20 30 DFEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000611239142 399449425 /nfs/dbraw/zinc/44/94/25/399449425.db2.gz BZYFFVFZKODVGZ-UHFFFAOYSA-N 1 2 313.311 2.755 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)n1 ZINC000602468019 399452459 /nfs/dbraw/zinc/45/24/59/399452459.db2.gz IHGDJJPCJASPRG-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO Cc1ccc(C)c(N2CC[NH+](Cc3cccc(C#N)n3)CC2)c1 ZINC000602442723 399445474 /nfs/dbraw/zinc/44/54/74/399445474.db2.gz WNZSDKNUTQMPSO-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000602494374 399460656 /nfs/dbraw/zinc/46/06/56/399460656.db2.gz NWAZSNZISUSKRE-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000602494374 399460657 /nfs/dbraw/zinc/46/06/57/399460657.db2.gz NWAZSNZISUSKRE-RHSMWYFYSA-N 1 2 315.323 2.539 20 30 DFEDLO CCOC(=O)c1cc(C[NH2+][C@H](CCC#N)c2ccccc2)on1 ZINC000602583168 399482828 /nfs/dbraw/zinc/48/28/28/399482828.db2.gz RBMNYPITJMGMTK-OAHLLOKOSA-N 1 2 313.357 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501425 399483337 /nfs/dbraw/zinc/48/33/37/399483337.db2.gz BVABWLQFKYAQFI-PLQZLIEUSA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501425 399483338 /nfs/dbraw/zinc/48/33/38/399483338.db2.gz BVABWLQFKYAQFI-PLQZLIEUSA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501423 399483446 /nfs/dbraw/zinc/48/34/46/399483446.db2.gz BVABWLQFKYAQFI-BFKWJSRZSA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501423 399483448 /nfs/dbraw/zinc/48/34/48/399483448.db2.gz BVABWLQFKYAQFI-BFKWJSRZSA-N 1 2 323.456 2.986 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602607937 399489204 /nfs/dbraw/zinc/48/92/04/399489204.db2.gz NKURILZEZUHGAL-ZBFHGGJFSA-N 1 2 307.401 2.927 20 30 DFEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)on1 ZINC000611553388 399491343 /nfs/dbraw/zinc/49/13/43/399491343.db2.gz YNSJASXPLRHSOB-KRWDZBQOSA-N 1 2 314.364 2.505 20 30 DFEDLO N#Cc1cccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000602626569 399495257 /nfs/dbraw/zinc/49/52/57/399495257.db2.gz ZPPZPAFERDINMV-QGZVFWFLSA-N 1 2 307.401 2.892 20 30 DFEDLO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602655219 399504897 /nfs/dbraw/zinc/50/48/97/399504897.db2.gz FVASJPXMUKDMDT-UHFFFAOYSA-N 1 2 302.305 2.757 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000616765419 399510944 /nfs/dbraw/zinc/51/09/44/399510944.db2.gz JUQCJWYXKRPDOS-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO CCn1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000616786310 399512856 /nfs/dbraw/zinc/51/28/56/399512856.db2.gz UHCYKCMTZFORQH-UHFFFAOYSA-N 1 2 302.403 2.512 20 30 DFEDLO CCn1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000616786310 399512861 /nfs/dbraw/zinc/51/28/61/399512861.db2.gz UHCYKCMTZFORQH-UHFFFAOYSA-N 1 2 302.403 2.512 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602671270 399513940 /nfs/dbraw/zinc/51/39/40/399513940.db2.gz FBIBUIANTDFNLF-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602671270 399513941 /nfs/dbraw/zinc/51/39/41/399513941.db2.gz FBIBUIANTDFNLF-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO N#Cc1csc(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000119907496 195060335 /nfs/dbraw/zinc/06/03/35/195060335.db2.gz YCLXWJGBDPTSQH-UHFFFAOYSA-N 1 2 303.456 2.999 20 30 DFEDLO C=CCC[C@@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)C(=O)OCC ZINC000602679386 399516668 /nfs/dbraw/zinc/51/66/68/399516668.db2.gz FHEKJTQIYFSWGG-HUUCEWRRSA-N 1 2 308.422 2.573 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)[C@@H]1C(=O)OC(C)(C)C ZINC000602693103 399522839 /nfs/dbraw/zinc/52/28/39/399522839.db2.gz QIDCABCWFBVXOZ-CJNGLKHVSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)[C@@H]1C(=O)OC(C)(C)C ZINC000602693103 399522841 /nfs/dbraw/zinc/52/28/41/399522841.db2.gz QIDCABCWFBVXOZ-CJNGLKHVSA-N 1 2 315.417 2.895 20 30 DFEDLO Cc1cn2c([nH+]1)CN(c1c(C#N)cnc3c(C)cccc31)CC2 ZINC000611764410 399522245 /nfs/dbraw/zinc/52/22/45/399522245.db2.gz XMBVURKYJJOVKK-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c(C(=O)OC(C)(C)C)n1 ZINC000602705546 399530480 /nfs/dbraw/zinc/53/04/80/399530480.db2.gz BBVVMJVVGVMEHC-GXTWGEPZSA-N 1 2 318.421 2.547 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@@H]1CCc2c(cccc2OC)C1)C(=O)OC ZINC000602732365 399545477 /nfs/dbraw/zinc/54/54/77/399545477.db2.gz AZNXISXPEJSFOL-GDBMZVCRSA-N 1 2 303.402 2.650 20 30 DFEDLO CCn1nc(C)c(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)c1C ZINC000602729143 399544402 /nfs/dbraw/zinc/54/44/02/399544402.db2.gz QYTVZFHTCCYDTQ-UHFFFAOYSA-N 1 2 322.416 2.671 20 30 DFEDLO CCn1nc(C)c(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c1C ZINC000602729143 399544405 /nfs/dbraw/zinc/54/44/05/399544405.db2.gz QYTVZFHTCCYDTQ-UHFFFAOYSA-N 1 2 322.416 2.671 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1C#N ZINC000611939602 399547014 /nfs/dbraw/zinc/54/70/14/399547014.db2.gz RVUWJEMPEFPCHP-LLVKDONJSA-N 1 2 313.332 2.730 20 30 DFEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC ZINC000602732720 399546479 /nfs/dbraw/zinc/54/64/79/399546479.db2.gz CWZMMRIXPPENDS-UKRRQHHQSA-N 1 2 321.417 2.732 20 30 DFEDLO Cc1ccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)s1 ZINC000602762904 399560699 /nfs/dbraw/zinc/56/06/99/399560699.db2.gz GTHDHRZVJNJODB-UHFFFAOYSA-N 1 2 303.431 2.508 20 30 DFEDLO Cc1nc(N2CCC(Oc3ccc(C#N)cc3F)CC2)cc[nH+]1 ZINC000286510462 219027882 /nfs/dbraw/zinc/02/78/82/219027882.db2.gz XCJAGJIACUOVGB-UHFFFAOYSA-N 1 2 312.348 2.844 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C#N)c1C ZINC000157684653 197207908 /nfs/dbraw/zinc/20/79/08/197207908.db2.gz ZWTGZFIACJNWFG-OAHLLOKOSA-N 1 2 312.373 2.872 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C#N)c1C ZINC000157684653 197207910 /nfs/dbraw/zinc/20/79/10/197207910.db2.gz ZWTGZFIACJNWFG-OAHLLOKOSA-N 1 2 312.373 2.872 20 30 DFEDLO COC(=O)c1cccc(OC)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000602807866 399583540 /nfs/dbraw/zinc/58/35/40/399583540.db2.gz UBCSGFSUXVUZBU-UHFFFAOYSA-N 1 2 302.374 2.607 20 30 DFEDLO COc1cccc(CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000157236930 197172428 /nfs/dbraw/zinc/17/24/28/197172428.db2.gz UKDBBDMJRKBNQZ-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO COc1cccc(CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000157236930 197172430 /nfs/dbraw/zinc/17/24/30/197172430.db2.gz UKDBBDMJRKBNQZ-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000612163038 399595739 /nfs/dbraw/zinc/59/57/39/399595739.db2.gz NJSSIWWUAUDONJ-XYJFISCASA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000612163038 399595742 /nfs/dbraw/zinc/59/57/42/399595742.db2.gz NJSSIWWUAUDONJ-XYJFISCASA-N 1 2 303.450 2.793 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167214 399598074 /nfs/dbraw/zinc/59/80/74/399598074.db2.gz WPPAZACKIUAEHJ-DYVFJYSZSA-N 1 2 319.836 2.970 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167214 399598077 /nfs/dbraw/zinc/59/80/77/399598077.db2.gz WPPAZACKIUAEHJ-DYVFJYSZSA-N 1 2 319.836 2.970 20 30 DFEDLO C#CCCCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000156232830 197096848 /nfs/dbraw/zinc/09/68/48/197096848.db2.gz VDYWBDXUXUZWOM-UHFFFAOYSA-N 1 2 315.442 2.796 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](Cc3ccnc(C#N)c3)CC2)[nH]1 ZINC000602861135 399605978 /nfs/dbraw/zinc/60/59/78/399605978.db2.gz IKVGFRJKUPVJSP-UHFFFAOYSA-N 1 2 324.432 2.649 20 30 DFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000602898246 399620074 /nfs/dbraw/zinc/62/00/74/399620074.db2.gz PTVQRNZAONHYAF-UHFFFAOYSA-N 1 2 323.400 2.895 20 30 DFEDLO CC(C)(C)n1ncnc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907119 399622300 /nfs/dbraw/zinc/62/23/00/399622300.db2.gz LQYBCGPQIUWJFL-UHFFFAOYSA-N 1 2 324.432 2.679 20 30 DFEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(C(F)F)no3)CC2)nc1 ZINC000602906598 399622396 /nfs/dbraw/zinc/62/23/96/399622396.db2.gz LBJVKZQHOLAWHL-UHFFFAOYSA-N 1 2 319.315 2.653 20 30 DFEDLO N#CCC1(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000602917586 399625416 /nfs/dbraw/zinc/62/54/16/399625416.db2.gz OCOWFRNCEJZCQK-UHFFFAOYSA-N 1 2 308.429 2.979 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602919330 399625648 /nfs/dbraw/zinc/62/56/48/399625648.db2.gz YHAACZQOOUGLQA-UHFFFAOYSA-N 1 2 302.349 2.664 20 30 DFEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602919330 399625651 /nfs/dbraw/zinc/62/56/51/399625651.db2.gz YHAACZQOOUGLQA-UHFFFAOYSA-N 1 2 302.349 2.664 20 30 DFEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000602941274 399633974 /nfs/dbraw/zinc/63/39/74/399633974.db2.gz JDLCSBZDVYKHPV-UHFFFAOYSA-N 1 2 306.316 2.823 20 30 DFEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000602941274 399633978 /nfs/dbraw/zinc/63/39/78/399633978.db2.gz JDLCSBZDVYKHPV-UHFFFAOYSA-N 1 2 306.316 2.823 20 30 DFEDLO COCCOc1ccc(C#N)cc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000296597783 533224057 /nfs/dbraw/zinc/22/40/57/533224057.db2.gz XHZUQJQJIIUJKV-WFASDCNBSA-N 1 2 312.373 2.898 20 30 DFEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000289064707 335059594 /nfs/dbraw/zinc/05/95/94/335059594.db2.gz JJBDAFLOCQCUPJ-UHFFFAOYSA-N 1 2 310.422 2.687 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290026859 221387940 /nfs/dbraw/zinc/38/79/40/221387940.db2.gz VNOAUGBNLROFSG-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(F)c1 ZINC000290026859 221387942 /nfs/dbraw/zinc/38/79/42/221387942.db2.gz VNOAUGBNLROFSG-AWEZNQCLSA-N 1 2 304.756 2.994 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2c(C)noc2C)c1C#N ZINC000612461901 399658260 /nfs/dbraw/zinc/65/82/60/399658260.db2.gz YDMZNWVRXTYTGG-SNVBAGLBSA-N 1 2 313.357 2.801 20 30 DFEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc2c1OCCO2 ZINC000612404326 399643829 /nfs/dbraw/zinc/64/38/29/399643829.db2.gz DUARJKMDWUJKAM-KRWDZBQOSA-N 1 2 302.374 2.592 20 30 DFEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc2c1OCCO2 ZINC000612404326 399643832 /nfs/dbraw/zinc/64/38/32/399643832.db2.gz DUARJKMDWUJKAM-KRWDZBQOSA-N 1 2 302.374 2.592 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1C1CC1 ZINC000602972284 399644450 /nfs/dbraw/zinc/64/44/50/399644450.db2.gz ITCSWYKSMKHPGB-HUUCEWRRSA-N 1 2 321.218 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1C1CC1 ZINC000602972284 399644453 /nfs/dbraw/zinc/64/44/53/399644453.db2.gz ITCSWYKSMKHPGB-HUUCEWRRSA-N 1 2 321.218 2.666 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602976181 399645142 /nfs/dbraw/zinc/64/51/42/399645142.db2.gz MITYCHRSCWREMN-DUVNUKRYSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602976181 399645144 /nfs/dbraw/zinc/64/51/44/399645144.db2.gz MITYCHRSCWREMN-DUVNUKRYSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602976182 399645457 /nfs/dbraw/zinc/64/54/57/399645457.db2.gz MITYCHRSCWREMN-JGGQBBKZSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602976182 399645462 /nfs/dbraw/zinc/64/54/62/399645462.db2.gz MITYCHRSCWREMN-JGGQBBKZSA-N 1 2 303.381 2.627 20 30 DFEDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602977178 399645803 /nfs/dbraw/zinc/64/58/03/399645803.db2.gz YVLCFUBOTIUFKJ-UKRRQHHQSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602977178 399645808 /nfs/dbraw/zinc/64/58/08/399645808.db2.gz YVLCFUBOTIUFKJ-UKRRQHHQSA-N 1 2 305.809 2.580 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000624341961 399646273 /nfs/dbraw/zinc/64/62/73/399646273.db2.gz VQQQHGUZMABQDO-HNNXBMFYSA-N 1 2 314.433 2.789 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977483 399646453 /nfs/dbraw/zinc/64/64/53/399646453.db2.gz BSHLMYOPHQJWFH-OLZOCXBDSA-N 1 2 319.371 2.657 20 30 DFEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977483 399646456 /nfs/dbraw/zinc/64/64/56/399646456.db2.gz BSHLMYOPHQJWFH-OLZOCXBDSA-N 1 2 319.371 2.657 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799623 399647684 /nfs/dbraw/zinc/64/76/84/399647684.db2.gz ODYXDHAQOACFCB-KXBFYZLASA-N 1 2 323.396 2.930 20 30 DFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625799623 399647690 /nfs/dbraw/zinc/64/76/90/399647690.db2.gz ODYXDHAQOACFCB-KXBFYZLASA-N 1 2 323.396 2.930 20 30 DFEDLO COC(=O)C12CCC(CC1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000602986208 399650340 /nfs/dbraw/zinc/65/03/40/399650340.db2.gz ZRQYQNHLHSGQOQ-UHFFFAOYSA-N 1 2 303.789 2.862 20 30 DFEDLO COC(=O)C12CCC(CC1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000602986208 399650345 /nfs/dbraw/zinc/65/03/45/399650345.db2.gz ZRQYQNHLHSGQOQ-UHFFFAOYSA-N 1 2 303.789 2.862 20 30 DFEDLO C=CC[N@H+](Cc1ccc2occc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000289198024 335060528 /nfs/dbraw/zinc/06/05/28/335060528.db2.gz VCIJFEHCVWNARK-HNNXBMFYSA-N 1 2 305.399 2.608 20 30 DFEDLO C=CC[N@@H+](Cc1ccc2occc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000289198024 335060531 /nfs/dbraw/zinc/06/05/31/335060531.db2.gz VCIJFEHCVWNARK-HNNXBMFYSA-N 1 2 305.399 2.608 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000603158653 399699282 /nfs/dbraw/zinc/69/92/82/399699282.db2.gz DROUESDEPRUXLA-CJNGLKHVSA-N 1 2 310.401 2.973 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927252 542544141 /nfs/dbraw/zinc/54/41/41/542544141.db2.gz CVECJCMKVURGCV-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927252 542544143 /nfs/dbraw/zinc/54/41/43/542544143.db2.gz CVECJCMKVURGCV-ZWKOTPCHSA-N 1 2 303.402 2.631 20 30 DFEDLO N#Cc1ccc(N2CCN(c3cc[nH+]cc3F)CC2)c(F)c1 ZINC000603286904 399732085 /nfs/dbraw/zinc/73/20/85/399732085.db2.gz UQHSHCAHFXDTJU-UHFFFAOYSA-N 1 2 300.312 2.558 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289260507 335061534 /nfs/dbraw/zinc/06/15/34/335061534.db2.gz MOWFRAOVVGBQPI-ZWKOTPCHSA-N 1 2 311.381 2.585 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289260507 335061536 /nfs/dbraw/zinc/06/15/36/335061536.db2.gz MOWFRAOVVGBQPI-ZWKOTPCHSA-N 1 2 311.381 2.585 20 30 DFEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000127735957 195905394 /nfs/dbraw/zinc/90/53/94/195905394.db2.gz ACDQFHCXFJQAIR-XJKSGUPXSA-N 1 2 309.373 2.870 20 30 DFEDLO CC(F)(F)CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603696963 399798498 /nfs/dbraw/zinc/79/84/98/399798498.db2.gz NMFDWVNPMLNYLS-UHFFFAOYSA-N 1 2 321.371 2.638 20 30 DFEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000264491351 542955809 /nfs/dbraw/zinc/95/58/09/542955809.db2.gz SQIBUVGMXFQUDN-UHFFFAOYSA-N 1 2 301.390 2.604 20 30 DFEDLO CCOCc1nc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)no1 ZINC000353612614 146687311 /nfs/dbraw/zinc/68/73/11/146687311.db2.gz SPCZWZGBFWYJQS-NHYWBVRUSA-N 1 2 312.373 2.816 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C1CCC1 ZINC000328933222 543098581 /nfs/dbraw/zinc/09/85/81/543098581.db2.gz PORHAOYOHOESMZ-HNNXBMFYSA-N 1 2 302.422 2.898 20 30 DFEDLO C[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOC1 ZINC000329555934 543106099 /nfs/dbraw/zinc/10/60/99/543106099.db2.gz DTVCSNKOIXNMRA-KRWDZBQOSA-N 1 2 304.390 2.533 20 30 DFEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)CC(C)(C)C ZINC000604455859 399848248 /nfs/dbraw/zinc/84/82/48/399848248.db2.gz RQMCBFHPMSKFDB-MRXNPFEDSA-N 1 2 323.481 2.523 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@@H](CC(F)(F)F)C1 ZINC000617972401 399853556 /nfs/dbraw/zinc/85/35/56/399853556.db2.gz ISFLVKVRDHRVSM-JTQLQIEISA-N 1 2 324.310 2.519 20 30 DFEDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000604556509 399855357 /nfs/dbraw/zinc/85/53/57/399855357.db2.gz TXJQRILLDSEYKK-CYBMUJFWSA-N 1 2 311.345 2.932 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000604551502 399854395 /nfs/dbraw/zinc/85/43/95/399854395.db2.gz ALZCFBCISXIORT-JSGCOSHPSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)cs1 ZINC000604551502 399854400 /nfs/dbraw/zinc/85/44/00/399854400.db2.gz ALZCFBCISXIORT-JSGCOSHPSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000604551501 399854844 /nfs/dbraw/zinc/85/48/44/399854844.db2.gz ALZCFBCISXIORT-GXTWGEPZSA-N 1 2 320.462 2.597 20 30 DFEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)cs1 ZINC000604551501 399854846 /nfs/dbraw/zinc/85/48/46/399854846.db2.gz ALZCFBCISXIORT-GXTWGEPZSA-N 1 2 320.462 2.597 20 30 DFEDLO C[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000604558267 399856573 /nfs/dbraw/zinc/85/65/73/399856573.db2.gz QQJUBOFDXFEJJL-CYBMUJFWSA-N 1 2 306.373 2.956 20 30 DFEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000116601912 145200661 /nfs/dbraw/zinc/20/06/61/145200661.db2.gz YUZQRCFVNMGLHL-UHFFFAOYSA-N 1 2 324.365 2.545 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)ccc3ccccc32)nn1 ZINC000630612750 399910328 /nfs/dbraw/zinc/91/03/28/399910328.db2.gz QCXHEXPZWGGYOV-UHFFFAOYSA-N 1 2 304.397 2.901 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896341 399958613 /nfs/dbraw/zinc/95/86/13/399958613.db2.gz MGGRPXDGFJRWSR-HNNXBMFYSA-N 1 2 302.418 2.639 20 30 DFEDLO C=CC[C@@H]1CCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000628491834 400036682 /nfs/dbraw/zinc/03/66/82/400036682.db2.gz IRZKSPRYRZUKPQ-NEPJUHHUSA-N 1 2 315.339 2.881 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774794 400055779 /nfs/dbraw/zinc/05/57/79/400055779.db2.gz VTMVVEAGAMSHOU-WFASDCNBSA-N 1 2 317.364 2.736 20 30 DFEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000245551166 146081957 /nfs/dbraw/zinc/08/19/57/146081957.db2.gz AXKYITXAMGDOBD-IJEWVQPXSA-N 1 2 319.474 2.693 20 30 DFEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000245551166 146081959 /nfs/dbraw/zinc/08/19/59/146081959.db2.gz AXKYITXAMGDOBD-IJEWVQPXSA-N 1 2 319.474 2.693 20 30 DFEDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000361267371 149071842 /nfs/dbraw/zinc/07/18/42/149071842.db2.gz RFVYVEVGZWYXSX-UHFFFAOYSA-N 1 2 321.340 2.975 20 30 DFEDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000361267371 149071843 /nfs/dbraw/zinc/07/18/43/149071843.db2.gz RFVYVEVGZWYXSX-UHFFFAOYSA-N 1 2 321.340 2.975 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000362593300 149318160 /nfs/dbraw/zinc/31/81/60/149318160.db2.gz WMORHOXKMLPKFK-LLVKDONJSA-N 1 2 307.825 2.947 20 30 DFEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000362593300 149318163 /nfs/dbraw/zinc/31/81/63/149318163.db2.gz WMORHOXKMLPKFK-LLVKDONJSA-N 1 2 307.825 2.947 20 30 DFEDLO N#Cc1cccc(CCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000366990669 149526026 /nfs/dbraw/zinc/52/60/26/149526026.db2.gz PICOXMUVALAFEB-MRXNPFEDSA-N 1 2 323.400 2.761 20 30 DFEDLO N#Cc1cc2c(nc1NCc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000368757111 149695655 /nfs/dbraw/zinc/69/56/55/149695655.db2.gz ZWOGPMALNPFJPY-UHFFFAOYSA-N 1 2 316.368 2.635 20 30 DFEDLO N#Cc1ccc(NC(=O)C[NH+]2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000371185275 150000179 /nfs/dbraw/zinc/00/01/79/150000179.db2.gz RFBYLSDAYFHMTP-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO CC(C)CCOCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371294051 150017799 /nfs/dbraw/zinc/01/77/99/150017799.db2.gz ZANDRVLRPKIASR-GOSISDBHSA-N 1 2 302.418 2.994 20 30 DFEDLO CC(C)CCOCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371294051 150017801 /nfs/dbraw/zinc/01/78/01/150017801.db2.gz ZANDRVLRPKIASR-GOSISDBHSA-N 1 2 302.418 2.994 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371298434 150018187 /nfs/dbraw/zinc/01/81/87/150018187.db2.gz VWPQPYRYWAIUJJ-INIZCTEOSA-N 1 2 316.401 2.663 20 30 DFEDLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371298434 150018188 /nfs/dbraw/zinc/01/81/88/150018188.db2.gz VWPQPYRYWAIUJJ-INIZCTEOSA-N 1 2 316.401 2.663 20 30 DFEDLO Cc1nc(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 ZINC000371327237 150024260 /nfs/dbraw/zinc/02/42/60/150024260.db2.gz UVCDTRQFJXPTLC-QGZVFWFLSA-N 1 2 313.426 2.939 20 30 DFEDLO Cc1nc(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 ZINC000371327237 150024263 /nfs/dbraw/zinc/02/42/63/150024263.db2.gz UVCDTRQFJXPTLC-QGZVFWFLSA-N 1 2 313.426 2.939 20 30 DFEDLO N#Cc1cccc(NC(=O)C[NH+]2CC(Cc3cccc(F)c3)C2)c1 ZINC000371351447 150029574 /nfs/dbraw/zinc/02/95/74/150029574.db2.gz USVBHTKUWGRENP-UHFFFAOYSA-N 1 2 323.371 2.810 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 ZINC000371454599 150049332 /nfs/dbraw/zinc/04/93/32/150049332.db2.gz APHIBQCFUGUMPS-ZBEGNZNMSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 ZINC000371454599 150049335 /nfs/dbraw/zinc/04/93/35/150049335.db2.gz APHIBQCFUGUMPS-ZBEGNZNMSA-N 1 2 304.296 2.737 20 30 DFEDLO Cc1noc(C2(C)CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000371568150 150066938 /nfs/dbraw/zinc/06/69/38/150066938.db2.gz GXVWQRQALGFBKE-UHFFFAOYSA-N 1 2 314.364 2.943 20 30 DFEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCCOC2)O1 ZINC000373797299 150258856 /nfs/dbraw/zinc/25/88/56/150258856.db2.gz NMUKFXSTHPHNKB-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCCOC2)O1 ZINC000373797299 150258857 /nfs/dbraw/zinc/25/88/57/150258857.db2.gz NMUKFXSTHPHNKB-SFHVURJKSA-N 1 2 318.392 2.857 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000373897408 150275066 /nfs/dbraw/zinc/27/50/66/150275066.db2.gz KTVLCJNLNHWPIB-MRXNPFEDSA-N 1 2 322.368 2.947 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373975443 150287130 /nfs/dbraw/zinc/28/71/30/150287130.db2.gz VFWFFGMHMJHALZ-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373975443 150287136 /nfs/dbraw/zinc/28/71/36/150287136.db2.gz VFWFFGMHMJHALZ-HBUWYVDXSA-N 1 2 318.392 2.856 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374309433 150342388 /nfs/dbraw/zinc/34/23/88/150342388.db2.gz JDULCWAVHREOEC-ZDUSSCGKSA-N 1 2 324.384 2.938 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374309433 150342391 /nfs/dbraw/zinc/34/23/91/150342391.db2.gz JDULCWAVHREOEC-ZDUSSCGKSA-N 1 2 324.384 2.938 20 30 DFEDLO Cc1ccc(C#N)c(NC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000375833034 150477033 /nfs/dbraw/zinc/47/70/33/150477033.db2.gz ZMNNEFHPZSVHEC-UHFFFAOYSA-N 1 2 313.430 2.795 20 30 DFEDLO Cc1ccc(CS(=O)(=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000185235863 158049925 /nfs/dbraw/zinc/04/99/25/158049925.db2.gz KKRFITFMPJSCED-UHFFFAOYSA-N 1 2 300.383 2.685 20 30 DFEDLO Cc1ccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c(C)[nH+]1 ZINC000185339640 158054360 /nfs/dbraw/zinc/05/43/60/158054360.db2.gz VAQBLXIDEHCNLB-UHFFFAOYSA-N 1 2 315.398 2.536 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000247688676 158148631 /nfs/dbraw/zinc/14/86/31/158148631.db2.gz VOISHPSJGIEEQR-HZPDHXFCSA-N 1 2 324.384 2.752 20 30 DFEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000247688676 158148634 /nfs/dbraw/zinc/14/86/34/158148634.db2.gz VOISHPSJGIEEQR-HZPDHXFCSA-N 1 2 324.384 2.752 20 30 DFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580704 287162464 /nfs/dbraw/zinc/16/24/64/287162464.db2.gz MJJSCRKIPGLXED-AWEZNQCLSA-N 1 2 318.384 2.727 20 30 DFEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580704 287162467 /nfs/dbraw/zinc/16/24/67/287162467.db2.gz MJJSCRKIPGLXED-AWEZNQCLSA-N 1 2 318.384 2.727 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129213635 196029819 /nfs/dbraw/zinc/02/98/19/196029819.db2.gz SNWSGHKXNZKSOS-IUIKQTSFSA-N 1 2 323.387 2.974 20 30 DFEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000129213635 196029821 /nfs/dbraw/zinc/02/98/21/196029821.db2.gz SNWSGHKXNZKSOS-IUIKQTSFSA-N 1 2 323.387 2.974 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000133711772 196331309 /nfs/dbraw/zinc/33/13/09/196331309.db2.gz WWKWCYZFYZZCMU-UHFFFAOYSA-N 1 2 318.392 2.857 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667956976 543710801 /nfs/dbraw/zinc/71/08/01/543710801.db2.gz VCYFKJLCQBFNBW-ZFWWWQNUSA-N 1 2 314.389 2.745 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155801 544124591 /nfs/dbraw/zinc/12/45/91/544124591.db2.gz FUDBCHJRLCJNSG-ZDUSSCGKSA-N 1 2 313.426 2.906 20 30 DFEDLO Cc1nc(N2CC[NH+](Cc3ccco3)CC2)c(Cl)cc1C#N ZINC000290942995 222019350 /nfs/dbraw/zinc/01/93/50/222019350.db2.gz KYLGVLBFMCYLFO-UHFFFAOYSA-N 1 2 316.792 2.830 20 30 DFEDLO C=C(C)COc1cc(CN2CCn3c[nH+]cc3C2)ccc1OC ZINC000291518067 335082504 /nfs/dbraw/zinc/08/25/04/335082504.db2.gz IXEYZTCGFTTYBM-UHFFFAOYSA-N 1 2 313.401 2.862 20 30 DFEDLO COCC#CCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000677133299 544439294 /nfs/dbraw/zinc/43/92/94/544439294.db2.gz QPINJWRYIPNKKV-HNNXBMFYSA-N 1 2 306.837 2.668 20 30 DFEDLO COCC#CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000677133299 544439303 /nfs/dbraw/zinc/43/93/03/544439303.db2.gz QPINJWRYIPNKKV-HNNXBMFYSA-N 1 2 306.837 2.668 20 30 DFEDLO CCC[N@H+](CC#CCOC)CC(=O)Nc1ccc(Cl)cc1 ZINC000677818916 544545958 /nfs/dbraw/zinc/54/59/58/544545958.db2.gz LIMWPMYXCMUXFL-UHFFFAOYSA-N 1 2 308.809 2.640 20 30 DFEDLO CCC[N@@H+](CC#CCOC)CC(=O)Nc1ccc(Cl)cc1 ZINC000677818916 544545961 /nfs/dbraw/zinc/54/59/61/544545961.db2.gz LIMWPMYXCMUXFL-UHFFFAOYSA-N 1 2 308.809 2.640 20 30 DFEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2sc(Br)cc2C1 ZINC000678049182 544588822 /nfs/dbraw/zinc/58/88/22/544588822.db2.gz GPLDEKGUHKYKBO-JTQLQIEISA-N 1 2 302.237 2.806 20 30 DFEDLO C=C(C)[C@H](CO)[N@H+]1CCc2sc(Br)cc2C1 ZINC000678049182 544588829 /nfs/dbraw/zinc/58/88/29/544588829.db2.gz GPLDEKGUHKYKBO-JTQLQIEISA-N 1 2 302.237 2.806 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000678220336 544622871 /nfs/dbraw/zinc/62/28/71/544622871.db2.gz HHPKEBQFINPSJO-IBGZPJMESA-N 1 2 322.408 2.836 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000678220336 544622878 /nfs/dbraw/zinc/62/28/78/544622878.db2.gz HHPKEBQFINPSJO-IBGZPJMESA-N 1 2 322.408 2.836 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000299580341 229230681 /nfs/dbraw/zinc/23/06/81/229230681.db2.gz IMDJWVLHFNWZAW-CYBMUJFWSA-N 1 2 323.356 2.800 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000680104495 544958664 /nfs/dbraw/zinc/95/86/64/544958664.db2.gz LSNFYHAQEWUSAS-SFHVURJKSA-N 1 2 313.401 2.843 20 30 DFEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000680104495 544958667 /nfs/dbraw/zinc/95/86/67/544958667.db2.gz LSNFYHAQEWUSAS-SFHVURJKSA-N 1 2 313.401 2.843 20 30 DFEDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906262 425897328 /nfs/dbraw/zinc/89/73/28/425897328.db2.gz HUEQUQPEYRNNGA-UHFFFAOYSA-N 1 2 311.838 2.595 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560990 425905051 /nfs/dbraw/zinc/90/50/51/425905051.db2.gz FYIOFMWNCDUOEW-QGZVFWFLSA-N 1 2 307.459 2.985 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560990 425905052 /nfs/dbraw/zinc/90/50/52/425905052.db2.gz FYIOFMWNCDUOEW-QGZVFWFLSA-N 1 2 307.459 2.985 20 30 DFEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(F)c(F)c2)no1 ZINC000067099101 425908704 /nfs/dbraw/zinc/90/87/04/425908704.db2.gz CFWSKVHXENTJPI-UHFFFAOYSA-N 1 2 310.304 2.528 20 30 DFEDLO C[N@H+](CCCCC#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155623373 425923307 /nfs/dbraw/zinc/92/33/07/425923307.db2.gz YTVLQDQJYCODES-CYBMUJFWSA-N 1 2 312.822 2.794 20 30 DFEDLO C[N@@H+](CCCCC#N)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000155623373 425923310 /nfs/dbraw/zinc/92/33/10/425923310.db2.gz YTVLQDQJYCODES-CYBMUJFWSA-N 1 2 312.822 2.794 20 30 DFEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1F ZINC000419280657 270000398 /nfs/dbraw/zinc/00/03/98/270000398.db2.gz PBFPJOXROPIUJM-GOSISDBHSA-N 1 2 323.371 2.807 20 30 DFEDLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000425335579 270000895 /nfs/dbraw/zinc/00/08/95/270000895.db2.gz IWKBQGFKLBYIFO-GOSISDBHSA-N 1 2 310.401 2.909 20 30 DFEDLO CCc1cnc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000425236340 270001027 /nfs/dbraw/zinc/00/10/27/270001027.db2.gz PZNXGSGMRXLQKR-UHFFFAOYSA-N 1 2 313.430 2.607 20 30 DFEDLO Cc1cc(N2CCC(CO)(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425256843 270001104 /nfs/dbraw/zinc/00/11/04/270001104.db2.gz BYDRPICYJVDMBG-UHFFFAOYSA-N 1 2 307.397 2.792 20 30 DFEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000453235702 270001520 /nfs/dbraw/zinc/00/15/20/270001520.db2.gz MQSFXSAQXXJLCD-WMZOPIPTSA-N 1 2 320.396 2.537 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2OC)c1C#N ZINC000533775390 270003006 /nfs/dbraw/zinc/00/30/06/270003006.db2.gz KFDRFFYIWVAPIE-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2OC)c1C#N ZINC000533775390 270003007 /nfs/dbraw/zinc/00/30/07/270003007.db2.gz KFDRFFYIWVAPIE-UHFFFAOYSA-N 1 2 324.380 2.985 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533759721 270003009 /nfs/dbraw/zinc/00/30/09/270003009.db2.gz XRGACFRILVJNEK-UHFFFAOYSA-N 1 2 310.353 2.682 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533759721 270003010 /nfs/dbraw/zinc/00/30/10/270003010.db2.gz XRGACFRILVJNEK-UHFFFAOYSA-N 1 2 310.353 2.682 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc(F)c(C#N)c3)cn21 ZINC000069334121 425935290 /nfs/dbraw/zinc/93/52/90/425935290.db2.gz JZGXZJPXBXZGNO-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO Cc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000157333156 425937816 /nfs/dbraw/zinc/93/78/16/425937816.db2.gz ATGGZACQZPUEFE-LJQANCHMSA-N 1 2 321.424 2.911 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157026299 425937397 /nfs/dbraw/zinc/93/73/97/425937397.db2.gz IDWPPUKIBGFKGO-OAHLLOKOSA-N 1 2 323.845 2.672 20 30 DFEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157026299 425937400 /nfs/dbraw/zinc/93/74/00/425937400.db2.gz IDWPPUKIBGFKGO-OAHLLOKOSA-N 1 2 323.845 2.672 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000157065271 425936908 /nfs/dbraw/zinc/93/69/08/425936908.db2.gz XGPZLJYHYBIBLJ-INIZCTEOSA-N 1 2 303.377 2.983 20 30 DFEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000157065271 425936909 /nfs/dbraw/zinc/93/69/09/425936909.db2.gz XGPZLJYHYBIBLJ-INIZCTEOSA-N 1 2 303.377 2.983 20 30 DFEDLO CCN(CC)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000352833995 266121470 /nfs/dbraw/zinc/12/14/70/266121470.db2.gz JUQNVXKHXQUPMR-UHFFFAOYSA-N 1 2 301.419 2.546 20 30 DFEDLO C[C@@H](c1ccccc1)[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363413927 267003613 /nfs/dbraw/zinc/00/36/13/267003613.db2.gz IRTAJMDEQKJZSX-INIZCTEOSA-N 1 2 319.408 2.964 20 30 DFEDLO C[C@@H](c1ccccc1)[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363413927 267003616 /nfs/dbraw/zinc/00/36/16/267003616.db2.gz IRTAJMDEQKJZSX-INIZCTEOSA-N 1 2 319.408 2.964 20 30 DFEDLO CCN(CC)C(=O)c1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425209815 267057584 /nfs/dbraw/zinc/05/75/84/267057584.db2.gz SEFCGRINEYAZLD-UHFFFAOYSA-N 1 2 322.412 2.778 20 30 DFEDLO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)[N@H+]1C ZINC000135265898 267061830 /nfs/dbraw/zinc/06/18/30/267061830.db2.gz DHADFQKUDLMUAA-PHIMTYICSA-N 1 2 308.223 2.850 20 30 DFEDLO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)[N@@H+]1C ZINC000135265898 267061831 /nfs/dbraw/zinc/06/18/31/267061831.db2.gz DHADFQKUDLMUAA-PHIMTYICSA-N 1 2 308.223 2.850 20 30 DFEDLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704476 267081943 /nfs/dbraw/zinc/08/19/43/267081943.db2.gz PUGWLCMOBMDOAQ-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000401704476 267081945 /nfs/dbraw/zinc/08/19/45/267081945.db2.gz PUGWLCMOBMDOAQ-QMTHXVAHSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277348 267103736 /nfs/dbraw/zinc/10/37/36/267103736.db2.gz KWVQDSXGAGKDMR-MFKMUULPSA-N 1 2 311.307 2.769 20 30 DFEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000348277348 267103738 /nfs/dbraw/zinc/10/37/38/267103738.db2.gz KWVQDSXGAGKDMR-MFKMUULPSA-N 1 2 311.307 2.769 20 30 DFEDLO CC[C@@H](C)NC(=O)c1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425209193 267186969 /nfs/dbraw/zinc/18/69/69/267186969.db2.gz RAOIOINHGSRGIO-CYBMUJFWSA-N 1 2 322.412 2.824 20 30 DFEDLO Cc1c(C#N)cccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000338169753 267275959 /nfs/dbraw/zinc/27/59/59/267275959.db2.gz BBQINGXDGWIOLT-UHFFFAOYSA-N 1 2 308.385 2.884 20 30 DFEDLO C[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000430027305 267323418 /nfs/dbraw/zinc/32/34/18/267323418.db2.gz PEQJCTMVCKBWIV-UHFFFAOYSA-N 1 2 317.396 2.830 20 30 DFEDLO C[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000430027305 267323420 /nfs/dbraw/zinc/32/34/20/267323420.db2.gz PEQJCTMVCKBWIV-UHFFFAOYSA-N 1 2 317.396 2.830 20 30 DFEDLO Cc1cc2[nH+]cn(CC(=O)NCc3cccc(C#N)c3)c2cc1C ZINC000346381467 267368220 /nfs/dbraw/zinc/36/82/20/267368220.db2.gz MJKMSOFJDDWLIM-UHFFFAOYSA-N 1 2 318.380 2.841 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000008161425 425663064 /nfs/dbraw/zinc/66/30/64/425663064.db2.gz PDCICRVLLFOCEC-CQSZACIVSA-N 1 2 313.854 2.888 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008161425 425663068 /nfs/dbraw/zinc/66/30/68/425663068.db2.gz PDCICRVLLFOCEC-CQSZACIVSA-N 1 2 313.854 2.888 20 30 DFEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nccs2)c(C#N)c1C ZINC000184408049 267773696 /nfs/dbraw/zinc/77/36/96/267773696.db2.gz LPASQDLCGCPYDM-VIFPVBQESA-N 1 2 304.375 2.514 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000456426091 267776208 /nfs/dbraw/zinc/77/62/08/267776208.db2.gz QKZHDOVILCXEIX-IUODEOHRSA-N 1 2 306.369 2.609 20 30 DFEDLO C=CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccs1 ZINC000011467754 425708693 /nfs/dbraw/zinc/70/86/93/425708693.db2.gz PGMNKJYMSMSCCC-MRXNPFEDSA-N 1 2 303.431 2.545 20 30 DFEDLO C=CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccs1 ZINC000011467754 425708696 /nfs/dbraw/zinc/70/86/96/425708696.db2.gz PGMNKJYMSMSCCC-MRXNPFEDSA-N 1 2 303.431 2.545 20 30 DFEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000026324263 425810644 /nfs/dbraw/zinc/81/06/44/425810644.db2.gz HVLKLXFWYGCXPB-UHFFFAOYSA-N 1 2 310.382 2.562 20 30 DFEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000026324263 425810647 /nfs/dbraw/zinc/81/06/47/425810647.db2.gz HVLKLXFWYGCXPB-UHFFFAOYSA-N 1 2 310.382 2.562 20 30 DFEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323335 425810661 /nfs/dbraw/zinc/81/06/61/425810661.db2.gz BCIWRXZFMQMWKX-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323335 425810664 /nfs/dbraw/zinc/81/06/64/425810664.db2.gz BCIWRXZFMQMWKX-UHFFFAOYSA-N 1 2 321.380 2.831 20 30 DFEDLO Cc1cc(NCCc2nc(C(F)(F)F)cs2)c(C#N)c[nH+]1 ZINC000425223167 267950138 /nfs/dbraw/zinc/95/01/38/267950138.db2.gz BMILNBWBOOUIRQ-UHFFFAOYSA-N 1 2 312.320 2.814 20 30 DFEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1C#N ZINC000028914979 425823860 /nfs/dbraw/zinc/82/38/60/425823860.db2.gz GTIKTUBKPZDQFB-CYBMUJFWSA-N 1 2 306.369 2.749 20 30 DFEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032514573 425838890 /nfs/dbraw/zinc/83/88/90/425838890.db2.gz XMLKOZDQDTUDQN-MRXNPFEDSA-N 1 2 316.836 2.901 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000032668188 425839496 /nfs/dbraw/zinc/83/94/96/425839496.db2.gz NWTLPPHVKCEPOC-SCRDCRAPSA-N 1 2 319.371 2.704 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000032668188 425839497 /nfs/dbraw/zinc/83/94/97/425839497.db2.gz NWTLPPHVKCEPOC-SCRDCRAPSA-N 1 2 319.371 2.704 20 30 DFEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944202 425867274 /nfs/dbraw/zinc/86/72/74/425867274.db2.gz BZMKGHXRJSQREV-UHFFFAOYSA-N 1 2 323.400 2.597 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)/C=C\c1cccc(C#N)c1)CCC2 ZINC000492191970 268069182 /nfs/dbraw/zinc/06/91/82/268069182.db2.gz WNLQHYBGASNTLY-ZPUOCTKUSA-N 1 2 320.396 2.770 20 30 DFEDLO N#Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c(F)c1 ZINC000351546499 268077169 /nfs/dbraw/zinc/07/71/69/268077169.db2.gz RPXUXOCVIFPAOU-UHFFFAOYSA-N 1 2 307.332 2.949 20 30 DFEDLO Cc1[nH+]c2ccccn2c1CN1CC(Oc2ccc(C#N)cc2)C1 ZINC000459618780 268080228 /nfs/dbraw/zinc/08/02/28/268080228.db2.gz SXLSTJMOXACONG-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO Cc1nc2ccccn2c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459618780 268080231 /nfs/dbraw/zinc/08/02/31/268080231.db2.gz SXLSTJMOXACONG-UHFFFAOYSA-N 1 2 318.380 2.778 20 30 DFEDLO Cc1noc(C2(C)CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428343929 268097214 /nfs/dbraw/zinc/09/72/14/268097214.db2.gz FBJLKUYENQIDEL-UHFFFAOYSA-N 1 2 314.364 2.943 20 30 DFEDLO N#Cc1c(F)cccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000428368701 268163947 /nfs/dbraw/zinc/16/39/47/268163947.db2.gz FSPZYLVXPFVVQN-UHFFFAOYSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000428974698 268164637 /nfs/dbraw/zinc/16/46/37/268164637.db2.gz FSTILNYYPJRAAX-CYBMUJFWSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000428974698 268164639 /nfs/dbraw/zinc/16/46/39/268164639.db2.gz FSTILNYYPJRAAX-CYBMUJFWSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc(C2(C(=O)NCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000435825917 268209792 /nfs/dbraw/zinc/20/97/92/268209792.db2.gz MKWCXHGAPFYFHR-UHFFFAOYSA-N 1 2 316.364 2.554 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\C3CCC3)CC2)cc1 ZINC000492079090 268218943 /nfs/dbraw/zinc/21/89/43/268218943.db2.gz BBWVJPRIDKVGHO-HJWRWDBZSA-N 1 2 309.413 2.559 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c1F ZINC000341121533 268246958 /nfs/dbraw/zinc/24/69/58/268246958.db2.gz DNHDFDXGVCCVNL-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C(N)=O)cc1 ZINC000528663391 268263813 /nfs/dbraw/zinc/26/38/13/268263813.db2.gz ZGJDZZCWCCFGTR-MSOLQXFVSA-N 1 2 320.396 2.611 20 30 DFEDLO N#Cc1cccc(/C=C\C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000490640858 268267925 /nfs/dbraw/zinc/26/79/25/268267925.db2.gz WVZUCKAOWHKQBR-SREVYHEPSA-N 1 2 321.380 2.509 20 30 DFEDLO N#Cc1cccc(C#N)c1NCc1[nH+]ccn1CC(F)(F)F ZINC000436403676 268271680 /nfs/dbraw/zinc/27/16/80/268271680.db2.gz BQGUESRQTMKKMI-UHFFFAOYSA-N 1 2 305.263 2.801 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000459327994 268290004 /nfs/dbraw/zinc/29/00/04/268290004.db2.gz PISSKCSZHNPHKZ-CQSZACIVSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000459327994 268290006 /nfs/dbraw/zinc/29/00/06/268290006.db2.gz PISSKCSZHNPHKZ-CQSZACIVSA-N 1 2 311.345 2.500 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411930780 268290975 /nfs/dbraw/zinc/29/09/75/268290975.db2.gz ZRNIWEGZXQBHMQ-CRAIPNDOSA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411930780 268290977 /nfs/dbraw/zinc/29/09/77/268290977.db2.gz ZRNIWEGZXQBHMQ-CRAIPNDOSA-N 1 2 323.352 2.774 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000341356923 268293424 /nfs/dbraw/zinc/29/34/24/268293424.db2.gz YWUVPFLZYWZFIA-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO N#Cc1ccccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421178146 268305442 /nfs/dbraw/zinc/30/54/42/268305442.db2.gz BIWJFDOUFKKPGM-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO N#Cc1csc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000342014670 268318448 /nfs/dbraw/zinc/31/84/48/268318448.db2.gz ANXGSVKGRMWQON-UHFFFAOYSA-N 1 2 308.366 2.940 20 30 DFEDLO Cc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000157333156 425937820 /nfs/dbraw/zinc/93/78/20/425937820.db2.gz ATGGZACQZPUEFE-LJQANCHMSA-N 1 2 321.424 2.911 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000125943466 425997421 /nfs/dbraw/zinc/99/74/21/425997421.db2.gz JNHJYCMELPBLMU-AWEZNQCLSA-N 1 2 313.401 2.744 20 30 DFEDLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C#N)cc1 ZINC000103307613 425942564 /nfs/dbraw/zinc/94/25/64/425942564.db2.gz ZWTBZZXMMBKIOM-AWEZNQCLSA-N 1 2 323.400 2.862 20 30 DFEDLO C#Cc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000158327717 425942610 /nfs/dbraw/zinc/94/26/10/425942610.db2.gz JQMRBQIYAZXENO-INIZCTEOSA-N 1 2 322.412 2.888 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(C#N)c1 ZINC000106242740 425971817 /nfs/dbraw/zinc/97/18/17/425971817.db2.gz JNEOJGIEVQMDMK-MNOVXSKESA-N 1 2 300.387 2.693 20 30 DFEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000126553703 426024859 /nfs/dbraw/zinc/02/48/59/426024859.db2.gz PSEYCCCIRMOZLK-AWEZNQCLSA-N 1 2 308.385 2.802 20 30 DFEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000126553703 426024861 /nfs/dbraw/zinc/02/48/61/426024861.db2.gz PSEYCCCIRMOZLK-AWEZNQCLSA-N 1 2 308.385 2.802 20 30 DFEDLO Cc1nc(N2CC(Oc3ccc(C#N)cc3)C2)c2c([nH+]1)CCCC2 ZINC000162500942 426067814 /nfs/dbraw/zinc/06/78/14/426067814.db2.gz VNWDNFBGHCDRFY-UHFFFAOYSA-N 1 2 320.396 2.803 20 30 DFEDLO N#Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000127477239 426068270 /nfs/dbraw/zinc/06/82/70/426068270.db2.gz HIXOHLDMFZUHDJ-MRXNPFEDSA-N 1 2 308.341 2.638 20 30 DFEDLO C=C(C)C[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000072553338 426017172 /nfs/dbraw/zinc/01/71/72/426017172.db2.gz MPRHRZASOVOVKL-UHFFFAOYSA-N 1 2 306.406 2.889 20 30 DFEDLO C=C(C)C[N@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000072553338 426017176 /nfs/dbraw/zinc/01/71/76/426017176.db2.gz MPRHRZASOVOVKL-UHFFFAOYSA-N 1 2 306.406 2.889 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)c1 ZINC000126482198 426021542 /nfs/dbraw/zinc/02/15/42/426021542.db2.gz MUHVYNMTGMEOKB-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)c1 ZINC000126482198 426021545 /nfs/dbraw/zinc/02/15/45/426021545.db2.gz MUHVYNMTGMEOKB-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c(C#N)c1C ZINC000128067749 426100209 /nfs/dbraw/zinc/10/02/09/426100209.db2.gz XHHZWIYRZPOMNJ-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c(C#N)c1C ZINC000128067749 426100212 /nfs/dbraw/zinc/10/02/12/426100212.db2.gz XHHZWIYRZPOMNJ-GFCCVEGCSA-N 1 2 312.373 2.795 20 30 DFEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000128276825 426110052 /nfs/dbraw/zinc/11/00/52/426110052.db2.gz WTSOQAOCOZYIDK-ZDUSSCGKSA-N 1 2 307.463 2.712 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000077170849 426121332 /nfs/dbraw/zinc/12/13/32/426121332.db2.gz IQNCFOHIQYHSPT-CYBMUJFWSA-N 1 2 300.387 2.723 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000077170849 426121334 /nfs/dbraw/zinc/12/13/34/426121334.db2.gz IQNCFOHIQYHSPT-CYBMUJFWSA-N 1 2 300.387 2.723 20 30 DFEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000127667698 426078843 /nfs/dbraw/zinc/07/88/43/426078843.db2.gz SVKAWQLWLFDKON-UHFFFAOYSA-N 1 2 300.362 2.693 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000127667698 426078846 /nfs/dbraw/zinc/07/88/46/426078846.db2.gz SVKAWQLWLFDKON-UHFFFAOYSA-N 1 2 300.362 2.693 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000116930859 426202179 /nfs/dbraw/zinc/20/21/79/426202179.db2.gz KOLFNQSHHUBXFI-UHFFFAOYSA-N 1 2 306.207 2.605 20 30 DFEDLO C=CCOCCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000079811106 426203998 /nfs/dbraw/zinc/20/39/98/426203998.db2.gz PEDRDLJVFLVGKQ-UHFFFAOYSA-N 1 2 306.406 2.648 20 30 DFEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000115037837 426153169 /nfs/dbraw/zinc/15/31/69/426153169.db2.gz SGRGZINVMPHSRV-UHFFFAOYSA-N 1 2 307.288 2.530 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000170868337 426157128 /nfs/dbraw/zinc/15/71/28/426157128.db2.gz VQXOLSVMLDBABF-UHFFFAOYSA-N 1 2 312.398 2.750 20 30 DFEDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1C ZINC000115541751 426166733 /nfs/dbraw/zinc/16/67/33/426166733.db2.gz AHQRSHMABHRHTC-GOSISDBHSA-N 1 2 323.396 2.534 20 30 DFEDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1C ZINC000115541751 426166735 /nfs/dbraw/zinc/16/67/35/426166735.db2.gz AHQRSHMABHRHTC-GOSISDBHSA-N 1 2 323.396 2.534 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccsc2C1 ZINC000132777067 426171221 /nfs/dbraw/zinc/17/12/21/426171221.db2.gz ADECPSNQIUAXSX-CYBMUJFWSA-N 1 2 317.458 2.837 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccsc2C1 ZINC000132777067 426171225 /nfs/dbraw/zinc/17/12/25/426171225.db2.gz ADECPSNQIUAXSX-CYBMUJFWSA-N 1 2 317.458 2.837 20 30 DFEDLO CN(C(=O)CC[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000135128181 426206257 /nfs/dbraw/zinc/20/62/57/426206257.db2.gz KDDMJVFGHZVGPD-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO CN(C(=O)CC[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000135128181 426206261 /nfs/dbraw/zinc/20/62/61/426206261.db2.gz KDDMJVFGHZVGPD-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO C=C(C)COc1cc(C[NH2+]Cc2cn[nH]c2C)ccc1OC ZINC000171384260 426187332 /nfs/dbraw/zinc/18/73/32/426187332.db2.gz PRMNDOMPZFZOAE-UHFFFAOYSA-N 1 2 301.390 2.971 20 30 DFEDLO Clc1ccc(C#CC[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135590771 426223299 /nfs/dbraw/zinc/22/32/99/426223299.db2.gz AYBXRAPPEPZPDE-UHFFFAOYSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1ccc(C#CC[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135590771 426223301 /nfs/dbraw/zinc/22/33/01/426223301.db2.gz AYBXRAPPEPZPDE-UHFFFAOYSA-N 1 2 305.805 2.573 20 30 DFEDLO N#Cc1csc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000084180072 426234052 /nfs/dbraw/zinc/23/40/52/426234052.db2.gz CZXFATVQCVFUGQ-UHFFFAOYSA-N 1 2 312.398 2.545 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C=CC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000121533519 426349293 /nfs/dbraw/zinc/34/92/93/426349293.db2.gz SSJALGPRCZUSFN-UHFFFAOYSA-N 1 2 303.431 2.945 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176546493 426391840 /nfs/dbraw/zinc/39/18/40/426391840.db2.gz CJDCYBZPVMAHPU-HNNXBMFYSA-N 1 2 322.474 2.936 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1ccccc1Cl ZINC000153581606 426393162 /nfs/dbraw/zinc/39/31/62/426393162.db2.gz QTEOZKBCJBGSOE-LBPRGKRZSA-N 1 2 323.824 2.562 20 30 DFEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccccc1Cl ZINC000153581606 426393165 /nfs/dbraw/zinc/39/31/65/426393165.db2.gz QTEOZKBCJBGSOE-LBPRGKRZSA-N 1 2 323.824 2.562 20 30 DFEDLO N#CC1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000123668817 426447306 /nfs/dbraw/zinc/44/73/06/426447306.db2.gz NXLAZQIMDBVMKT-UHFFFAOYSA-N 1 2 319.206 2.832 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)C(F)(F)F ZINC000341134039 269044195 /nfs/dbraw/zinc/04/41/95/269044195.db2.gz HYVDTWFBTFARNO-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/49/95/47/426499547.db2.gz YJVBLHSDWNEAGQ-ZDUSSCGKSA-N 1 2 309.841 2.980 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000186291176 426500151 /nfs/dbraw/zinc/50/01/51/426500151.db2.gz JEDYGNGTVYVWNH-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000186282048 426500220 /nfs/dbraw/zinc/50/02/20/426500220.db2.gz REWRDFLUPTUYLO-MRXNPFEDSA-N 1 2 306.413 2.832 20 30 DFEDLO CCc1occc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280507357 426588431 /nfs/dbraw/zinc/58/84/31/426588431.db2.gz JKGNQFDEBAGTSB-UHFFFAOYSA-N 1 2 323.396 2.672 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561398 426600332 /nfs/dbraw/zinc/60/03/32/426600332.db2.gz UYURUCICUJNVGC-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000280561398 426600335 /nfs/dbraw/zinc/60/03/35/426600335.db2.gz UYURUCICUJNVGC-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO 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426768534 /nfs/dbraw/zinc/76/85/34/426768534.db2.gz XBAWMPYESJXVSO-UGFHNGPFSA-N 1 2 304.415 2.926 20 30 DFEDLO CCOC(=O)C[N@H+](CCCSCC#N)Cc1ccc(F)cc1 ZINC000266736063 426771251 /nfs/dbraw/zinc/77/12/51/426771251.db2.gz NFKSWUBGAMOFQN-UHFFFAOYSA-N 1 2 324.421 2.838 20 30 DFEDLO CCOC(=O)C[N@@H+](CCCSCC#N)Cc1ccc(F)cc1 ZINC000266736063 426771253 /nfs/dbraw/zinc/77/12/53/426771253.db2.gz NFKSWUBGAMOFQN-UHFFFAOYSA-N 1 2 324.421 2.838 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000281715347 426749333 /nfs/dbraw/zinc/74/93/33/426749333.db2.gz HZZWUIFABUDOJT-INIZCTEOSA-N 1 2 323.400 2.846 20 30 DFEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(Br)cc1C ZINC000266954819 426801793 /nfs/dbraw/zinc/80/17/93/426801793.db2.gz VKOBHMRZCKUPSU-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(Br)cc1C ZINC000266954819 426801797 /nfs/dbraw/zinc/80/17/97/426801797.db2.gz VKOBHMRZCKUPSU-UHFFFAOYSA-N 1 2 309.207 2.651 20 30 DFEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OCC#N)cc1 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C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000328765075 426997047 /nfs/dbraw/zinc/99/70/47/426997047.db2.gz DWVOBAOLIRNRKJ-QJPTWQEYSA-N 1 2 307.419 2.816 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[N@@H+]1CCO[C@H](CC)C1 ZINC000328795733 426998563 /nfs/dbraw/zinc/99/85/63/426998563.db2.gz UHEYGEROGZODDN-HHARLNAUSA-N 1 2 324.465 2.790 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[N@H+]1CCO[C@H](CC)C1 ZINC000328795733 426998567 /nfs/dbraw/zinc/99/85/67/426998567.db2.gz UHEYGEROGZODDN-HHARLNAUSA-N 1 2 324.465 2.790 20 30 DFEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000328815636 427001438 /nfs/dbraw/zinc/00/14/38/427001438.db2.gz OGSIRSQEWALYAS-LLVKDONJSA-N 1 2 320.418 2.616 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)[C@@H]1C ZINC000328832300 427005401 /nfs/dbraw/zinc/00/54/01/427005401.db2.gz RMSYJDBBQVODOF-ARILJUKYSA-N 1 2 307.438 2.818 20 30 DFEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)[C@@H]1C ZINC000328832300 427005405 /nfs/dbraw/zinc/00/54/05/427005405.db2.gz RMSYJDBBQVODOF-ARILJUKYSA-N 1 2 307.438 2.818 20 30 DFEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248511856 427005884 /nfs/dbraw/zinc/00/58/84/427005884.db2.gz BXXOBRLNPJZEDE-UKRRQHHQSA-N 1 2 309.772 2.644 20 30 DFEDLO CC[N@H+]1CC[C@@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248511856 427005890 /nfs/dbraw/zinc/00/58/90/427005890.db2.gz BXXOBRLNPJZEDE-UKRRQHHQSA-N 1 2 309.772 2.644 20 30 DFEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)NC1CCC(F)(F)CC1 ZINC000328890015 427009464 /nfs/dbraw/zinc/00/94/64/427009464.db2.gz RJBCVGXEPHVTPM-CYBMUJFWSA-N 1 2 324.375 2.742 20 30 DFEDLO O=C(NCCc1ccc2c(c1)CCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328946625 427016035 /nfs/dbraw/zinc/01/60/35/427016035.db2.gz KAJLKHYMKASYLA-HNNXBMFYSA-N 1 2 311.385 2.580 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(C)c1 ZINC000328951219 427016421 /nfs/dbraw/zinc/01/64/21/427016421.db2.gz CLSLFUDIJQCPAD-GJZGRUSLSA-N 1 2 315.417 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/nfs/dbraw/zinc/04/17/86/427041786.db2.gz YQHATIDSNUHYJE-LSDHHAIUSA-N 1 2 321.421 2.896 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329099075 427043500 /nfs/dbraw/zinc/04/35/00/427043500.db2.gz YZUZKWOIYWWOFB-OQGULXLBSA-N 1 2 324.465 2.792 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329099075 427043504 /nfs/dbraw/zinc/04/35/04/427043504.db2.gz YZUZKWOIYWWOFB-OQGULXLBSA-N 1 2 324.465 2.792 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000248946023 427065298 /nfs/dbraw/zinc/06/52/98/427065298.db2.gz ANEKIFLVXFMADG-IUODEOHRSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C)CC1 ZINC000248946023 427065304 /nfs/dbraw/zinc/06/53/04/427065304.db2.gz ANEKIFLVXFMADG-IUODEOHRSA-N 1 2 304.415 2.600 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000249089678 427086952 /nfs/dbraw/zinc/08/69/52/427086952.db2.gz CVFAEFAVRWMPLC-QAPCUYQASA-N 1 2 310.401 2.525 20 30 DFEDLO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)c1 ZINC000249089678 427086959 /nfs/dbraw/zinc/08/69/59/427086959.db2.gz CVFAEFAVRWMPLC-QAPCUYQASA-N 1 2 310.401 2.525 20 30 DFEDLO C[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCc2ccccc21 ZINC000329342230 427095677 /nfs/dbraw/zinc/09/56/77/427095677.db2.gz BAYUSXXNFVXWBA-IBGZPJMESA-N 1 2 324.428 2.907 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccnc3Cl)C2)nc1 ZINC000292120036 427098638 /nfs/dbraw/zinc/09/86/38/427098638.db2.gz HXXSBVCPPDQOTL-AWEZNQCLSA-N 1 2 314.776 2.655 20 30 DFEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccnc3Cl)C2)nc1 ZINC000292120036 427098646 /nfs/dbraw/zinc/09/86/46/427098646.db2.gz HXXSBVCPPDQOTL-AWEZNQCLSA-N 1 2 314.776 2.655 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329437060 427117192 /nfs/dbraw/zinc/11/71/92/427117192.db2.gz JEWSPUWMMNTONU-UHFFFAOYSA-N 1 2 304.390 2.786 20 30 DFEDLO CCOc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329437060 427117196 /nfs/dbraw/zinc/11/71/96/427117196.db2.gz JEWSPUWMMNTONU-UHFFFAOYSA-N 1 2 304.390 2.786 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329462182 427119306 /nfs/dbraw/zinc/11/93/06/427119306.db2.gz QANHYMBLQUTENN-LLVKDONJSA-N 1 2 314.345 2.564 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329517535 427130588 /nfs/dbraw/zinc/13/05/88/427130588.db2.gz PKLTXERWWDBXJI-PVAVHDDUSA-N 1 2 322.449 2.568 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329517535 427130593 /nfs/dbraw/zinc/13/05/93/427130593.db2.gz PKLTXERWWDBXJI-PVAVHDDUSA-N 1 2 322.449 2.568 20 30 DFEDLO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190816475 427184759 /nfs/dbraw/zinc/18/47/59/427184759.db2.gz JQYTZSHBYDJJDE-NRFANRHFSA-N 1 2 305.378 2.924 20 30 DFEDLO C[C@H]1CN(c2ccc(NCc3ccc(C#N)o3)c[nH+]2)C[C@H](C)O1 ZINC000269424321 427191524 /nfs/dbraw/zinc/19/15/24/427191524.db2.gz MVJAZDKUHYZRKZ-STQMWFEESA-N 1 2 312.373 2.772 20 30 DFEDLO C[C@H](C#N)CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000338373699 427284886 /nfs/dbraw/zinc/28/48/86/427284886.db2.gz GOSRUOGUXUJVQK-CQSZACIVSA-N 1 2 308.385 2.696 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277536804 427235803 /nfs/dbraw/zinc/23/58/03/427235803.db2.gz LOFYSAPAXKKLIF-GOSISDBHSA-N 1 2 321.465 2.913 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000330658493 427283202 /nfs/dbraw/zinc/28/32/02/427283202.db2.gz MTLXSIIRGWTZSP-JQWIXIFHSA-N 1 2 322.206 2.669 20 30 DFEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H](OC)C(C)C)C1 ZINC000330958267 427321358 /nfs/dbraw/zinc/32/13/58/427321358.db2.gz WLVLJIFXFQRWLG-HUUCEWRRSA-N 1 2 322.453 2.667 20 30 DFEDLO CCC(O)(CC)CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000331017809 427326721 /nfs/dbraw/zinc/32/67/21/427326721.db2.gz VRSISIBMIWMPCY-GJZGRUSLSA-N 1 2 322.453 2.621 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000285784380 427337695 /nfs/dbraw/zinc/33/76/95/427337695.db2.gz UHVIXRVIRZQJMG-MRXNPFEDSA-N 1 2 312.373 2.856 20 30 DFEDLO Cc1noc([C@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000285784380 427337701 /nfs/dbraw/zinc/33/77/01/427337701.db2.gz UHVIXRVIRZQJMG-MRXNPFEDSA-N 1 2 312.373 2.856 20 30 DFEDLO N#Cc1cc2c(nc1N[C@H]1CCN(c3cccc[nH+]3)C1)CCC2 ZINC000269866495 427295201 /nfs/dbraw/zinc/29/52/01/427295201.db2.gz KWVQRZWVPUPSLI-HNNXBMFYSA-N 1 2 305.385 2.528 20 30 DFEDLO CSc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000330709040 427296465 /nfs/dbraw/zinc/29/64/65/427296465.db2.gz RNIGPYRGZJFZPC-LBPRGKRZSA-N 1 2 323.462 2.764 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000271048273 427384771 /nfs/dbraw/zinc/38/47/71/427384771.db2.gz SMIRWQUYWINCQP-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338585965 427397577 /nfs/dbraw/zinc/39/75/77/427397577.db2.gz AVRGECYNYPYRMI-SFHVURJKSA-N 1 2 320.383 2.897 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338585965 427397585 /nfs/dbraw/zinc/39/75/85/427397585.db2.gz AVRGECYNYPYRMI-SFHVURJKSA-N 1 2 320.383 2.897 20 30 DFEDLO CCSc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331341828 427400649 /nfs/dbraw/zinc/40/06/49/427400649.db2.gz KMWLAVNIBBUSRZ-UHFFFAOYSA-N 1 2 323.462 2.609 20 30 DFEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c1C ZINC000331354030 427403125 /nfs/dbraw/zinc/40/31/25/427403125.db2.gz PIODELSGFTVFCT-YUTCNCBUSA-N 1 2 301.390 2.687 20 30 DFEDLO C=CC[N@@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1F ZINC000271117223 427407580 /nfs/dbraw/zinc/40/75/80/427407580.db2.gz CIQFZNWANKMFHW-UHFFFAOYSA-N 1 2 300.381 2.870 20 30 DFEDLO C=CC[N@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1F ZINC000271117223 427407586 /nfs/dbraw/zinc/40/75/86/427407586.db2.gz CIQFZNWANKMFHW-UHFFFAOYSA-N 1 2 300.381 2.870 20 30 DFEDLO Fc1ccc(C#CC[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000270826097 427366430 /nfs/dbraw/zinc/36/64/30/427366430.db2.gz BXYQDWGBDOINRU-UHFFFAOYSA-N 1 2 313.351 2.534 20 30 DFEDLO C=CCCO[C@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000278790683 427453407 /nfs/dbraw/zinc/45/34/07/427453407.db2.gz YMXKCXQEDIVVEM-LLVKDONJSA-N 1 2 302.378 2.549 20 30 DFEDLO N#Cc1ccc(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000338742210 427464677 /nfs/dbraw/zinc/46/46/77/427464677.db2.gz AQARHZMOHXRTSE-UHFFFAOYSA-N 1 2 308.385 2.620 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OC ZINC000271181657 427434577 /nfs/dbraw/zinc/43/45/77/427434577.db2.gz HSVXZVPPBCNVGX-SOHPYSCWSA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1OC ZINC000271181657 427434579 /nfs/dbraw/zinc/43/45/79/427434579.db2.gz HSVXZVPPBCNVGX-SOHPYSCWSA-N 1 2 323.458 2.601 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278978583 427522240 /nfs/dbraw/zinc/52/22/40/427522240.db2.gz QUBFPDWFSGZHJZ-SFYZADRCSA-N 1 2 307.341 2.503 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000332146804 427526369 /nfs/dbraw/zinc/52/63/69/427526369.db2.gz TYXJRELPMZUHAI-MRXNPFEDSA-N 1 2 321.428 2.536 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)F ZINC000192139610 427490065 /nfs/dbraw/zinc/49/00/65/427490065.db2.gz IPRGTJLEXYBOFC-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1CC(F)F ZINC000192139610 427490068 /nfs/dbraw/zinc/49/00/68/427490068.db2.gz IPRGTJLEXYBOFC-CQSZACIVSA-N 1 2 311.351 2.859 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000185243266 427619502 /nfs/dbraw/zinc/61/95/02/427619502.db2.gz ZBIPKJSJWBBROQ-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000185243266 427619507 /nfs/dbraw/zinc/61/95/07/427619507.db2.gz ZBIPKJSJWBBROQ-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000185238408 427620319 /nfs/dbraw/zinc/62/03/19/427620319.db2.gz WQELRVNDMSPZHN-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO CCC1(CC)C[N@@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000185238408 427620325 /nfs/dbraw/zinc/62/03/25/427620325.db2.gz WQELRVNDMSPZHN-JOCHJYFZSA-N 1 2 320.458 2.560 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000263810980 427579004 /nfs/dbraw/zinc/57/90/04/427579004.db2.gz XULYPRLABQRNEH-AWEZNQCLSA-N 1 2 320.458 2.608 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000263810980 427579006 /nfs/dbraw/zinc/57/90/06/427579006.db2.gz XULYPRLABQRNEH-AWEZNQCLSA-N 1 2 320.458 2.608 20 30 DFEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C#N)s1 ZINC000338959892 427592528 /nfs/dbraw/zinc/59/25/28/427592528.db2.gz YBNZIGFMUJIIPD-UHFFFAOYSA-N 1 2 319.455 2.820 20 30 DFEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C#N)s1 ZINC000338959892 427592537 /nfs/dbraw/zinc/59/25/37/427592537.db2.gz YBNZIGFMUJIIPD-UHFFFAOYSA-N 1 2 319.455 2.820 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1Cl ZINC000338967142 427595037 /nfs/dbraw/zinc/59/50/37/427595037.db2.gz OTJPJJIFBWCVBG-OKILXGFUSA-N 1 2 309.793 2.504 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1Cl ZINC000338967142 427595047 /nfs/dbraw/zinc/59/50/47/427595047.db2.gz OTJPJJIFBWCVBG-OKILXGFUSA-N 1 2 309.793 2.504 20 30 DFEDLO Cc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(C(C)C)[nH+]1 ZINC000298402809 427599595 /nfs/dbraw/zinc/59/95/95/427599595.db2.gz GZMDJWFYPDSNLL-UHFFFAOYSA-N 1 2 322.416 2.502 20 30 DFEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000332404455 427604741 /nfs/dbraw/zinc/60/47/41/427604741.db2.gz WOCQJPIYZUOTPY-CYBMUJFWSA-N 1 2 314.364 2.877 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000339056227 427650924 /nfs/dbraw/zinc/65/09/24/427650924.db2.gz WXOPLPNIDPCJTC-HNNXBMFYSA-N 1 2 311.389 2.539 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000339056227 427650933 /nfs/dbraw/zinc/65/09/33/427650933.db2.gz WXOPLPNIDPCJTC-HNNXBMFYSA-N 1 2 311.389 2.539 20 30 DFEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000339060477 427655461 /nfs/dbraw/zinc/65/54/61/427655461.db2.gz YQFNLAODANNCHH-OAHLLOKOSA-N 1 2 313.344 2.864 20 30 DFEDLO C=CCOCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000339060477 427655469 /nfs/dbraw/zinc/65/54/69/427655469.db2.gz YQFNLAODANNCHH-OAHLLOKOSA-N 1 2 313.344 2.864 20 30 DFEDLO Cc1cn2cc(NC(=O)COc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000339118191 427683516 /nfs/dbraw/zinc/68/35/16/427683516.db2.gz YJDHAQRLHNBBSI-UHFFFAOYSA-N 1 2 306.325 2.532 20 30 DFEDLO C=CCOc1ccc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000339150501 427705075 /nfs/dbraw/zinc/70/50/75/427705075.db2.gz SYKNSQBHPMGWAM-UHFFFAOYSA-N 1 2 311.385 2.714 20 30 DFEDLO Cn1c2ccc(NC(=O)c3ccnc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000193702797 427709828 /nfs/dbraw/zinc/70/98/28/427709828.db2.gz LJAGTFSPHYKFBT-UHFFFAOYSA-N 1 2 317.352 2.970 20 30 DFEDLO CC1(O)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287908066 427715016 /nfs/dbraw/zinc/71/50/16/427715016.db2.gz VGRNKTLILQLNCN-UHFFFAOYSA-N 1 2 309.207 2.668 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)OCC ZINC000339440625 427776189 /nfs/dbraw/zinc/77/61/89/427776189.db2.gz MCEIEPWAVGONDD-AWEZNQCLSA-N 1 2 321.808 2.975 20 30 DFEDLO COC(=O)N1CCC([C@H](C)/[NH+]=C/c2cc(OC)ccc2O)CC1 ZINC000185916910 427729336 /nfs/dbraw/zinc/72/93/36/427729336.db2.gz MFXRBIQUNMGYOG-HWQJWEFDSA-N 1 2 320.389 2.687 20 30 DFEDLO Cn1c[nH+]cc1CNc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000185934983 427732341 /nfs/dbraw/zinc/73/23/41/427732341.db2.gz UJLQEFSQKVPNMF-UHFFFAOYSA-N 1 2 309.398 2.951 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298956714 427734758 /nfs/dbraw/zinc/73/47/58/427734758.db2.gz OQUZJKHTGJHJET-CYBMUJFWSA-N 1 2 303.362 2.634 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298956714 427734762 /nfs/dbraw/zinc/73/47/62/427734762.db2.gz OQUZJKHTGJHJET-CYBMUJFWSA-N 1 2 303.362 2.634 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CCC(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339277365 427747312 /nfs/dbraw/zinc/74/73/12/427747312.db2.gz ZDNMIRZPSBEPOC-DLBZAZTESA-N 1 2 323.481 2.664 20 30 DFEDLO CC[C@H](C(=O)N(CCC#N)CCC(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339277365 427747313 /nfs/dbraw/zinc/74/73/13/427747313.db2.gz ZDNMIRZPSBEPOC-DLBZAZTESA-N 1 2 323.481 2.664 20 30 DFEDLO N#Cc1c(Cl)nsc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301634939 427810885 /nfs/dbraw/zinc/81/08/85/427810885.db2.gz KWSLBQIVICVENJ-SNVBAGLBSA-N 1 2 306.778 2.721 20 30 DFEDLO N#Cc1ccnc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000301626639 427811220 /nfs/dbraw/zinc/81/12/20/427811220.db2.gz AWZJDCKLSBTJBO-UHFFFAOYSA-N 1 2 307.269 2.839 20 30 DFEDLO Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)c(C#N)c(C)[nH+]1 ZINC000301754162 427821551 /nfs/dbraw/zinc/82/15/51/427821551.db2.gz CKJMZLUOSACUDL-UHFFFAOYSA-N 1 2 324.384 2.880 20 30 DFEDLO Cc1cc(NCCCc2nnc3n2CCCCC3)c(C#N)c(C)[nH+]1 ZINC000301757420 427821818 /nfs/dbraw/zinc/82/18/18/427821818.db2.gz DZRKKGHBTGLTQW-UHFFFAOYSA-N 1 2 324.432 2.933 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000339751111 427822496 /nfs/dbraw/zinc/82/24/96/427822496.db2.gz BLDXCIYFMIYIDN-UHFFFAOYSA-N 1 2 305.428 2.765 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000339751111 427822497 /nfs/dbraw/zinc/82/24/97/427822497.db2.gz BLDXCIYFMIYIDN-UHFFFAOYSA-N 1 2 305.428 2.765 20 30 DFEDLO Cc1cc(N[C@H]2CS(=O)(=O)c3ccccc32)c(C#N)c(C)[nH+]1 ZINC000302116379 427850070 /nfs/dbraw/zinc/85/00/70/427850070.db2.gz CVKAHYQZIYSLDV-HNNXBMFYSA-N 1 2 313.382 2.511 20 30 DFEDLO Cc1ccc(N2CC[NH+]([C@H](C)c3nccs3)CC2)nc1C#N ZINC000302755702 427864223 /nfs/dbraw/zinc/86/42/23/427864223.db2.gz INPZYUZWFQYRDP-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337386778 427879829 /nfs/dbraw/zinc/87/98/29/427879829.db2.gz FPFIAKJJSPHMJY-CYBMUJFWSA-N 1 2 317.408 2.500 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337386778 427879835 /nfs/dbraw/zinc/87/98/35/427879835.db2.gz FPFIAKJJSPHMJY-CYBMUJFWSA-N 1 2 317.408 2.500 20 30 DFEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337596173 427973690 /nfs/dbraw/zinc/97/36/90/427973690.db2.gz BBLBZILTJKVYJD-INIZCTEOSA-N 1 2 313.376 2.600 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000340118384 427930867 /nfs/dbraw/zinc/93/08/67/427930867.db2.gz AHAJDBHLPLOUFP-NSHDSACASA-N 1 2 313.426 2.858 20 30 DFEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000340118384 427930872 /nfs/dbraw/zinc/93/08/72/427930872.db2.gz AHAJDBHLPLOUFP-NSHDSACASA-N 1 2 313.426 2.858 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000347265278 272760208 /nfs/dbraw/zinc/76/02/08/272760208.db2.gz GZNBVZYMANNIET-AWEZNQCLSA-N 1 2 323.396 2.615 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000347265278 272760210 /nfs/dbraw/zinc/76/02/10/272760210.db2.gz GZNBVZYMANNIET-AWEZNQCLSA-N 1 2 323.396 2.615 20 30 DFEDLO Cc1ccc(Cc2noc(Cc3c(F)cccc3C#N)n2)c[nH+]1 ZINC000346114779 428023200 /nfs/dbraw/zinc/02/32/00/428023200.db2.gz AFJZARYNUZGFOA-UHFFFAOYSA-N 1 2 308.316 2.965 20 30 DFEDLO Cc1ccc(Cc2noc(COc3ccc(C#N)cc3)n2)c[nH+]1 ZINC000356106660 428024133 /nfs/dbraw/zinc/02/41/33/428024133.db2.gz FWSMMNSSUGARGU-UHFFFAOYSA-N 1 2 306.325 2.815 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000356126361 428031987 /nfs/dbraw/zinc/03/19/87/428031987.db2.gz UMMLWUNNZYQXFU-MRXNPFEDSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000356126361 428031992 /nfs/dbraw/zinc/03/19/92/428031992.db2.gz UMMLWUNNZYQXFU-MRXNPFEDSA-N 1 2 313.426 2.887 20 30 DFEDLO N#Cc1csc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)n1 ZINC000356130194 428035560 /nfs/dbraw/zinc/03/55/60/428035560.db2.gz DKVBEGIWRKFIRB-MRXNPFEDSA-N 1 2 313.426 2.848 20 30 DFEDLO N#Cc1csc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)n1 ZINC000356130194 428035562 /nfs/dbraw/zinc/03/55/62/428035562.db2.gz DKVBEGIWRKFIRB-MRXNPFEDSA-N 1 2 313.426 2.848 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000413586659 428088822 /nfs/dbraw/zinc/08/88/22/428088822.db2.gz WJEVRNBQFADQQI-KRWDZBQOSA-N 1 2 324.428 2.913 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000413586659 428088828 /nfs/dbraw/zinc/08/88/28/428088828.db2.gz WJEVRNBQFADQQI-KRWDZBQOSA-N 1 2 324.428 2.913 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1[nH+]ccn1CC ZINC000413589280 428089032 /nfs/dbraw/zinc/08/90/32/428089032.db2.gz PDDRFTYQFJSFHD-MRXNPFEDSA-N 1 2 312.417 2.890 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)C1=O ZINC000356328000 428128215 /nfs/dbraw/zinc/12/82/15/428128215.db2.gz ZRPDAJRUSSYLRF-GFCCVEGCSA-N 1 2 318.364 2.986 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C1=O ZINC000356328000 428128220 /nfs/dbraw/zinc/12/82/20/428128220.db2.gz ZRPDAJRUSSYLRF-GFCCVEGCSA-N 1 2 318.364 2.986 20 30 DFEDLO COc1ccccc1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000341583954 428114226 /nfs/dbraw/zinc/11/42/26/428114226.db2.gz WSQCEJUFNRVERG-UHFFFAOYSA-N 1 2 321.424 2.885 20 30 DFEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C#N)cs1 ZINC000356309245 428118545 /nfs/dbraw/zinc/11/85/45/428118545.db2.gz UCKCWDIUMTWXKL-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C#N)cs1 ZINC000356309245 428118548 /nfs/dbraw/zinc/11/85/48/428118548.db2.gz UCKCWDIUMTWXKL-UHFFFAOYSA-N 1 2 302.359 2.597 20 30 DFEDLO N#Cc1cccc(F)c1CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000351966510 428118867 /nfs/dbraw/zinc/11/88/67/428118867.db2.gz ZMHYDWZKNXEQEA-HNNXBMFYSA-N 1 2 312.348 2.717 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000346366155 428143541 /nfs/dbraw/zinc/14/35/41/428143541.db2.gz HPIKSTJMJKWMMY-INIZCTEOSA-N 1 2 316.401 2.743 20 30 DFEDLO CCOC(=O)[C@H](CC)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000346366155 428143546 /nfs/dbraw/zinc/14/35/46/428143546.db2.gz HPIKSTJMJKWMMY-INIZCTEOSA-N 1 2 316.401 2.743 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1snc(Cl)c1C#N ZINC000370186731 428152675 /nfs/dbraw/zinc/15/26/75/428152675.db2.gz VACQOCNCIYSSMC-UHFFFAOYSA-N 1 2 307.810 2.837 20 30 DFEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000356412860 428167199 /nfs/dbraw/zinc/16/71/99/428167199.db2.gz AITQIWKATJWNQG-MRXNPFEDSA-N 1 2 313.426 2.788 20 30 DFEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000356412860 428167202 /nfs/dbraw/zinc/16/72/02/428167202.db2.gz AITQIWKATJWNQG-MRXNPFEDSA-N 1 2 313.426 2.788 20 30 DFEDLO CC[C@H](CO)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356423660 428172154 /nfs/dbraw/zinc/17/21/54/428172154.db2.gz LFZBEJZKBWBZMM-OAHLLOKOSA-N 1 2 301.415 2.788 20 30 DFEDLO CC[C@H](CO)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356423660 428172158 /nfs/dbraw/zinc/17/21/58/428172158.db2.gz LFZBEJZKBWBZMM-OAHLLOKOSA-N 1 2 301.415 2.788 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N ZINC000370359397 428191663 /nfs/dbraw/zinc/19/16/63/428191663.db2.gz UUMGXAQHQLLDFW-FDMDGMSGSA-N 1 2 306.369 2.669 20 30 DFEDLO N#Cc1csc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)n1 ZINC000352836635 428273962 /nfs/dbraw/zinc/27/39/62/428273962.db2.gz VTBNJGBCDMRJNW-UHFFFAOYSA-N 1 2 309.398 2.549 20 30 DFEDLO Cc1nsc(NCc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000342063363 428288378 /nfs/dbraw/zinc/28/83/78/428288378.db2.gz OLTAVZLBTRPHBT-UHFFFAOYSA-N 1 2 301.297 2.694 20 30 DFEDLO CN(C(=O)c1ccc(C#N)nc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784894 428248912 /nfs/dbraw/zinc/24/89/12/428248912.db2.gz SEEJXNIMGVVYKD-MRXNPFEDSA-N 1 2 317.352 2.538 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000370920136 428322005 /nfs/dbraw/zinc/32/20/05/428322005.db2.gz ZFXJUIXGMZVQDY-UHFFFAOYSA-N 1 2 321.808 2.651 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCCO1 ZINC000370920136 428322011 /nfs/dbraw/zinc/32/20/11/428322011.db2.gz ZFXJUIXGMZVQDY-UHFFFAOYSA-N 1 2 321.808 2.651 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346875348 428356163 /nfs/dbraw/zinc/35/61/63/428356163.db2.gz BIGXZZVEWUVMPU-GOEBONIOSA-N 1 2 324.384 2.843 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346875348 428356173 /nfs/dbraw/zinc/35/61/73/428356173.db2.gz BIGXZZVEWUVMPU-GOEBONIOSA-N 1 2 324.384 2.843 20 30 DFEDLO COc1ccccc1-c1nnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000371648362 428398042 /nfs/dbraw/zinc/39/80/42/428398042.db2.gz YTLCBMJCCIURJQ-UHFFFAOYSA-N 1 2 312.373 2.871 20 30 DFEDLO C=CCc1cc(C[N@@H+](C)C(C)(C)C(=O)OC)cc(OC)c1O ZINC000353147485 428404520 /nfs/dbraw/zinc/40/45/20/428404520.db2.gz XVZAJLMCCIZKHY-UHFFFAOYSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CCc1cc(C[N@H+](C)C(C)(C)C(=O)OC)cc(OC)c1O ZINC000353147485 428404524 /nfs/dbraw/zinc/40/45/24/428404524.db2.gz XVZAJLMCCIZKHY-UHFFFAOYSA-N 1 2 307.390 2.513 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000342633228 428435889 /nfs/dbraw/zinc/43/58/89/428435889.db2.gz FXHMLDOGBNJZHO-CHWSQXEVSA-N 1 2 304.438 2.759 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342634249 428436867 /nfs/dbraw/zinc/43/68/67/428436867.db2.gz JHKDTOYUUOQTTB-LLVKDONJSA-N 1 2 301.346 2.820 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342634249 428436875 /nfs/dbraw/zinc/43/68/75/428436875.db2.gz JHKDTOYUUOQTTB-LLVKDONJSA-N 1 2 301.346 2.820 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3F)CC2)o1 ZINC000372407046 428443011 /nfs/dbraw/zinc/44/30/11/428443011.db2.gz HMLMYUNMSINFAJ-UHFFFAOYSA-N 1 2 313.376 2.998 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3F)CC2)o1 ZINC000372407046 428443015 /nfs/dbraw/zinc/44/30/15/428443015.db2.gz HMLMYUNMSINFAJ-UHFFFAOYSA-N 1 2 313.376 2.998 20 30 DFEDLO Cc1nsc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1C#N ZINC000342789703 428455733 /nfs/dbraw/zinc/45/57/33/428455733.db2.gz ORZYXNILUWTNEB-UHFFFAOYSA-N 1 2 301.350 2.993 20 30 DFEDLO Cc1cc(F)cc2c1ncc(C#N)c2N[C@H](C)Cn1cc[nH+]c1 ZINC000357297327 428470891 /nfs/dbraw/zinc/47/08/91/428470891.db2.gz GIJGPGCFLASASV-GFCCVEGCSA-N 1 2 309.348 2.673 20 30 DFEDLO CC[C@H](C)[C@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000347493221 428590202 /nfs/dbraw/zinc/59/02/02/428590202.db2.gz WPFQUGZYMFTMSO-JKSUJKDBSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000347493221 428590207 /nfs/dbraw/zinc/59/02/07/428590207.db2.gz WPFQUGZYMFTMSO-JKSUJKDBSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493221 428590213 /nfs/dbraw/zinc/59/02/13/428590213.db2.gz WPFQUGZYMFTMSO-JKSUJKDBSA-N 1 2 300.450 2.626 20 30 DFEDLO CC[C@H](C)[C@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000347493221 428590217 /nfs/dbraw/zinc/59/02/17/428590217.db2.gz WPFQUGZYMFTMSO-JKSUJKDBSA-N 1 2 300.450 2.626 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000343313855 428543502 /nfs/dbraw/zinc/54/35/02/428543502.db2.gz UASJQSVUKPFYTD-UHFFFAOYSA-N 1 2 316.364 2.889 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347386998 428568300 /nfs/dbraw/zinc/56/83/00/428568300.db2.gz MCJCWLYQXKXBCV-DYVFJYSZSA-N 1 2 321.371 2.895 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347386998 428568304 /nfs/dbraw/zinc/56/83/04/428568304.db2.gz MCJCWLYQXKXBCV-DYVFJYSZSA-N 1 2 321.371 2.895 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000373408831 428568516 /nfs/dbraw/zinc/56/85/16/428568516.db2.gz ZITINGDPYZOLTJ-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC3(CCC3)C2)c1 ZINC000373408831 428568523 /nfs/dbraw/zinc/56/85/23/428568523.db2.gz ZITINGDPYZOLTJ-UHFFFAOYSA-N 1 2 318.442 2.598 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347386994 428568666 /nfs/dbraw/zinc/56/86/66/428568666.db2.gz MCJCWLYQXKXBCV-CXAGYDPISA-N 1 2 321.371 2.895 20 30 DFEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347386994 428568670 /nfs/dbraw/zinc/56/86/70/428568670.db2.gz MCJCWLYQXKXBCV-CXAGYDPISA-N 1 2 321.371 2.895 20 30 DFEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 ZINC000361486924 428570082 /nfs/dbraw/zinc/57/00/82/428570082.db2.gz STYUBYOIFYMUCN-GOSISDBHSA-N 1 2 313.445 2.656 20 30 DFEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 ZINC000361486924 428570086 /nfs/dbraw/zinc/57/00/86/428570086.db2.gz STYUBYOIFYMUCN-GOSISDBHSA-N 1 2 313.445 2.656 20 30 DFEDLO N#CC1(CN2CC[N@H+](CC3(C#N)CC3)CC23CCCCC3)CC1 ZINC000408110635 428603712 /nfs/dbraw/zinc/60/37/12/428603712.db2.gz SPHHDERSGSJNJN-UHFFFAOYSA-N 1 2 312.461 2.914 20 30 DFEDLO N#CC1(CN2CC[N@@H+](CC3(C#N)CC3)CC23CCCCC3)CC1 ZINC000408110635 428603716 /nfs/dbraw/zinc/60/37/16/428603716.db2.gz SPHHDERSGSJNJN-UHFFFAOYSA-N 1 2 312.461 2.914 20 30 DFEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC1(C#N)CC1 ZINC000361931157 428606125 /nfs/dbraw/zinc/60/61/25/428606125.db2.gz UEUHEIMHENOLSH-IBGZPJMESA-N 1 2 312.413 2.931 20 30 DFEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CC1 ZINC000361931157 428606128 /nfs/dbraw/zinc/60/61/28/428606128.db2.gz UEUHEIMHENOLSH-IBGZPJMESA-N 1 2 312.413 2.931 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000361996664 428609625 /nfs/dbraw/zinc/60/96/25/428609625.db2.gz QJBZRDGPASHEOM-QGZVFWFLSA-N 1 2 304.434 2.731 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000361996664 428609629 /nfs/dbraw/zinc/60/96/29/428609629.db2.gz QJBZRDGPASHEOM-QGZVFWFLSA-N 1 2 304.434 2.731 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000373579420 428611348 /nfs/dbraw/zinc/61/13/48/428611348.db2.gz UAEDGHJXGJRTIH-HNNXBMFYSA-N 1 2 322.412 2.851 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000347683506 428619609 /nfs/dbraw/zinc/61/96/09/428619609.db2.gz DVZIJWQPXMKSBK-SJLPKXTDSA-N 1 2 324.428 2.832 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc2ncccc21 ZINC000347690046 428620340 /nfs/dbraw/zinc/62/03/40/428620340.db2.gz LTTAXNFPNJHFQF-YDHLFZDLSA-N 1 2 308.385 2.844 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347622096 428620693 /nfs/dbraw/zinc/62/06/93/428620693.db2.gz FMHLOMFSOIEYGR-QZTJIDSGSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000347622096 428620699 /nfs/dbraw/zinc/62/06/99/428620699.db2.gz FMHLOMFSOIEYGR-QZTJIDSGSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347622100 428621019 /nfs/dbraw/zinc/62/10/19/428621019.db2.gz FMHLOMFSOIEYGR-ROUUACIJSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347622100 428621025 /nfs/dbraw/zinc/62/10/25/428621025.db2.gz FMHLOMFSOIEYGR-ROUUACIJSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCOCCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000348051677 428634662 /nfs/dbraw/zinc/63/46/62/428634662.db2.gz LYRZUQWGNQAKJU-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO C=CCOCCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000348051677 428634665 /nfs/dbraw/zinc/63/46/65/428634665.db2.gz LYRZUQWGNQAKJU-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO COCC[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347703348 428623410 /nfs/dbraw/zinc/62/34/10/428623410.db2.gz MRULYVKEWLHOBS-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO COCC[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347703348 428623415 /nfs/dbraw/zinc/62/34/15/428623415.db2.gz MRULYVKEWLHOBS-UHFFFAOYSA-N 1 2 320.343 2.798 20 30 DFEDLO CC[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347968853 428632813 /nfs/dbraw/zinc/63/28/13/428632813.db2.gz RDNXUPFTSJPYIN-AWEZNQCLSA-N 1 2 314.414 2.782 20 30 DFEDLO C#CC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000361779017 428595227 /nfs/dbraw/zinc/59/52/27/428595227.db2.gz FHZMYBHQCJEERT-IRXDYDNUSA-N 1 2 322.412 2.684 20 30 DFEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373816625 428649263 /nfs/dbraw/zinc/64/92/63/428649263.db2.gz WKLZECKKALFARV-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373816625 428649267 /nfs/dbraw/zinc/64/92/67/428649267.db2.gz WKLZECKKALFARV-MAUKXSAKSA-N 1 2 319.832 2.961 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000191390333 274353343 /nfs/dbraw/zinc/35/33/43/274353343.db2.gz NPBASONSIBDESH-FZKQIMNGSA-N 1 2 313.376 2.998 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000191390333 274353345 /nfs/dbraw/zinc/35/33/45/274353345.db2.gz NPBASONSIBDESH-FZKQIMNGSA-N 1 2 313.376 2.998 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000374297603 428671759 /nfs/dbraw/zinc/67/17/59/428671759.db2.gz ZMSMWHUBOQKDFQ-SFHVURJKSA-N 1 2 317.408 2.628 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000374297603 428671764 /nfs/dbraw/zinc/67/17/64/428671764.db2.gz ZMSMWHUBOQKDFQ-SFHVURJKSA-N 1 2 317.408 2.628 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362241182 428673000 /nfs/dbraw/zinc/67/30/00/428673000.db2.gz XAWIALFVCQQPFI-CQSZACIVSA-N 1 2 313.405 2.811 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(S(C)(=O)=O)o1 ZINC000411191170 428757254 /nfs/dbraw/zinc/75/72/54/428757254.db2.gz IWKRWCQHGPWOAZ-UHFFFAOYSA-N 1 2 319.426 2.914 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)Cc1ccc(S(C)(=O)=O)o1 ZINC000411191170 428757259 /nfs/dbraw/zinc/75/72/59/428757259.db2.gz IWKRWCQHGPWOAZ-UHFFFAOYSA-N 1 2 319.426 2.914 20 30 DFEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000353894171 428767820 /nfs/dbraw/zinc/76/78/20/428767820.db2.gz CWKRPRVFZGYSHF-JTQLQIEISA-N 1 2 317.190 2.962 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000353896710 428768244 /nfs/dbraw/zinc/76/82/44/428768244.db2.gz HMXJFTBJPNBLNV-JTQLQIEISA-N 1 2 317.190 2.962 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000374893569 428777041 /nfs/dbraw/zinc/77/70/41/428777041.db2.gz JNUCHSXMCGNMGS-QGZVFWFLSA-N 1 2 312.344 2.976 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000374893569 428777043 /nfs/dbraw/zinc/77/70/43/428777043.db2.gz JNUCHSXMCGNMGS-QGZVFWFLSA-N 1 2 312.344 2.976 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000348550818 428785880 /nfs/dbraw/zinc/78/58/80/428785880.db2.gz UAFCUCAPMDELCC-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000348550818 428785886 /nfs/dbraw/zinc/78/58/86/428785886.db2.gz UAFCUCAPMDELCC-ROUUACIJSA-N 1 2 303.402 2.631 20 30 DFEDLO C=C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000362543202 428788365 /nfs/dbraw/zinc/78/83/65/428788365.db2.gz OWCZNHQLDOEKHW-FZMZJTMJSA-N 1 2 302.353 2.522 20 30 DFEDLO C=C(Br)C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000374743250 428743606 /nfs/dbraw/zinc/74/36/06/428743606.db2.gz MKZLQXNNGKJEGF-UHFFFAOYSA-N 1 2 300.200 2.640 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccoc1 ZINC000345090723 428749128 /nfs/dbraw/zinc/74/91/28/428749128.db2.gz KXRDZUPBQQCPIA-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccoc1 ZINC000345090723 428749133 /nfs/dbraw/zinc/74/91/33/428749133.db2.gz KXRDZUPBQQCPIA-UHFFFAOYSA-N 1 2 303.749 2.875 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(SC)cc1 ZINC000411757237 428853062 /nfs/dbraw/zinc/85/30/62/428853062.db2.gz LJWZKOHGCOPARU-AWEZNQCLSA-N 1 2 306.431 2.550 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(SC)cc1 ZINC000411757237 428853068 /nfs/dbraw/zinc/85/30/68/428853068.db2.gz LJWZKOHGCOPARU-AWEZNQCLSA-N 1 2 306.431 2.550 20 30 DFEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375233099 428828895 /nfs/dbraw/zinc/82/88/95/428828895.db2.gz IUQSUIOHFQXSLO-GDBMZVCRSA-N 1 2 320.396 2.973 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000363091695 428856554 /nfs/dbraw/zinc/85/65/54/428856554.db2.gz HUZGPIBTADUIFN-ZDUSSCGKSA-N 1 2 300.337 2.768 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000363091695 428856559 /nfs/dbraw/zinc/85/65/59/428856559.db2.gz HUZGPIBTADUIFN-ZDUSSCGKSA-N 1 2 300.337 2.768 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000375416299 428878784 /nfs/dbraw/zinc/87/87/84/428878784.db2.gz RHNFKGZCQDERKL-CZUORRHYSA-N 1 2 306.369 2.664 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375787902 428971752 /nfs/dbraw/zinc/97/17/52/428971752.db2.gz HPGSUXDQNVGRGM-QGZVFWFLSA-N 1 2 312.369 2.994 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375787902 428971758 /nfs/dbraw/zinc/97/17/58/428971758.db2.gz HPGSUXDQNVGRGM-QGZVFWFLSA-N 1 2 312.369 2.994 20 30 DFEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccon2)c(C#N)c1C ZINC000349245464 428947253 /nfs/dbraw/zinc/94/72/53/428947253.db2.gz RKCHVDVFWMYSMG-VIFPVBQESA-N 1 2 304.375 2.514 20 30 DFEDLO CC1(C)CC[N@H+](CC#Cc2ccc(Cl)cc2)CC[S@]1=O ZINC000451755885 428969716 /nfs/dbraw/zinc/96/97/16/428969716.db2.gz LJKHUVQQORODAG-HXUWFJFHSA-N 1 2 309.862 2.925 20 30 DFEDLO CC1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)CC[S@]1=O ZINC000451755885 428969721 /nfs/dbraw/zinc/96/97/21/428969721.db2.gz LJKHUVQQORODAG-HXUWFJFHSA-N 1 2 309.862 2.925 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)[C@]3(C#N)C[C@@H]3C)ccc2n1C1CC1 ZINC000412327514 429016212 /nfs/dbraw/zinc/01/62/12/429016212.db2.gz DBZGLAIIFVTNCF-VOJFVSQTSA-N 1 2 308.385 2.846 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000355001786 429023294 /nfs/dbraw/zinc/02/32/94/429023294.db2.gz QTEXTJWPLOQEOU-QGZVFWFLSA-N 1 2 319.836 2.754 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000355001786 429023301 /nfs/dbraw/zinc/02/33/01/429023301.db2.gz QTEXTJWPLOQEOU-QGZVFWFLSA-N 1 2 319.836 2.754 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421012696 428973898 /nfs/dbraw/zinc/97/38/98/428973898.db2.gz JWNSLOFVFFKTNM-UONOGXRCSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421012696 428973905 /nfs/dbraw/zinc/97/39/05/428973905.db2.gz JWNSLOFVFFKTNM-UONOGXRCSA-N 1 2 320.458 2.748 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843133 428994187 /nfs/dbraw/zinc/99/41/87/428994187.db2.gz ROPHVZJCRUQOOO-IAGOWNOFSA-N 1 2 313.401 2.615 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1)C1CC1 ZINC000451843133 428994194 /nfs/dbraw/zinc/99/41/94/428994194.db2.gz ROPHVZJCRUQOOO-IAGOWNOFSA-N 1 2 313.401 2.615 20 30 DFEDLO N#Cc1c(Br)cccc1N1CCn2cc[nH+]c2C1 ZINC000168536147 274917677 /nfs/dbraw/zinc/91/76/77/274917677.db2.gz ILLOMFRWDGWZJZ-UHFFFAOYSA-N 1 2 303.163 2.537 20 30 DFEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000376638018 429152410 /nfs/dbraw/zinc/15/24/10/429152410.db2.gz FHNZZOPSDTYSJQ-UHFFFAOYSA-N 1 2 322.368 2.865 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCCC)c(OC)c2)nn1 ZINC000424169328 429105123 /nfs/dbraw/zinc/10/51/23/429105123.db2.gz HXTOOUWXKDZHAB-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)nn1 ZINC000424172521 429105382 /nfs/dbraw/zinc/10/53/82/429105382.db2.gz OGUJBRAOLWFKTR-UHFFFAOYSA-N 1 2 314.286 2.912 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376510196 429125592 /nfs/dbraw/zinc/12/55/92/429125592.db2.gz BXJUCQZKCDGCFI-SFHVURJKSA-N 1 2 311.360 2.883 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376510196 429125594 /nfs/dbraw/zinc/12/55/94/429125594.db2.gz BXJUCQZKCDGCFI-SFHVURJKSA-N 1 2 311.360 2.883 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(C#N)cc1 ZINC000435128669 429125743 /nfs/dbraw/zinc/12/57/43/429125743.db2.gz JCASDONXFGZOCL-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000435128669 429125744 /nfs/dbraw/zinc/12/57/44/429125744.db2.gz JCASDONXFGZOCL-ZDUSSCGKSA-N 1 2 323.400 2.932 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454754761 429172372 /nfs/dbraw/zinc/17/23/72/429172372.db2.gz SHUWGDRGEFQGIC-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO C=C(CC)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000454754761 429172374 /nfs/dbraw/zinc/17/23/74/429172374.db2.gz SHUWGDRGEFQGIC-CVEARBPZSA-N 1 2 323.387 2.975 20 30 DFEDLO Cc1ccc(-n2c[nH+]c3c2CCN(C[C@H](C#N)CCC#N)C3)cc1 ZINC000487966322 429175676 /nfs/dbraw/zinc/17/56/76/429175676.db2.gz WIVZXFGRQNYBIN-INIZCTEOSA-N 1 2 319.412 2.982 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000424726863 429181085 /nfs/dbraw/zinc/18/10/85/429181085.db2.gz YCSBFWAQBQZABQ-HZPDHXFCSA-N 1 2 317.433 2.666 20 30 DFEDLO C=C(CC)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000455566540 429192306 /nfs/dbraw/zinc/19/23/06/429192306.db2.gz YKLIQICDNXYXDW-YFHOEESVSA-N 1 2 313.445 2.993 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000439458403 429218501 /nfs/dbraw/zinc/21/85/01/429218501.db2.gz TWCMJLLMBGKFJG-PVAVHDDUSA-N 1 2 320.820 2.980 20 30 DFEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000439458403 429218506 /nfs/dbraw/zinc/21/85/06/429218506.db2.gz TWCMJLLMBGKFJG-PVAVHDDUSA-N 1 2 320.820 2.980 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000455959417 429226903 /nfs/dbraw/zinc/22/69/03/429226903.db2.gz UTKBJXADWHHLGZ-HNNXBMFYSA-N 1 2 321.384 2.662 20 30 DFEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@H](C#N)CCC#N ZINC000441415200 429231572 /nfs/dbraw/zinc/23/15/72/429231572.db2.gz LSIFDHFBFHADJW-KRWDZBQOSA-N 1 2 307.401 2.807 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000365231191 429284928 /nfs/dbraw/zinc/28/49/28/429284928.db2.gz WCBWQUBWXGPDFV-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000365231191 429284932 /nfs/dbraw/zinc/28/49/32/429284932.db2.gz WCBWQUBWXGPDFV-CYBMUJFWSA-N 1 2 307.401 2.534 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196858 429245034 /nfs/dbraw/zinc/24/50/34/429245034.db2.gz VLNINEUVFMHXSC-HRCADAONSA-N 1 2 308.385 2.740 20 30 DFEDLO Cc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)cn1 ZINC000425221668 429246708 /nfs/dbraw/zinc/24/67/08/429246708.db2.gz FJTYHAYSDGVELK-MRXNPFEDSA-N 1 2 316.355 2.677 20 30 DFEDLO Cc1cc(NCCc2ccccc2OC(F)F)c(C#N)c[nH+]1 ZINC000425250735 429250567 /nfs/dbraw/zinc/25/05/67/429250567.db2.gz DGPLERFGYDPGKU-UHFFFAOYSA-N 1 2 303.312 2.940 20 30 DFEDLO Cc1cc(NCCC(C)(C)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000425275054 429256634 /nfs/dbraw/zinc/25/66/34/429256634.db2.gz SNAYNPOREUTKNW-UHFFFAOYSA-N 1 2 303.406 2.854 20 30 DFEDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000495793344 429266868 /nfs/dbraw/zinc/26/68/68/429266868.db2.gz MXTYJMSLZIGZBZ-UHFFFAOYSA-N 1 2 321.808 2.874 20 30 DFEDLO C#CCN(CC#N)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000490994782 429318939 /nfs/dbraw/zinc/31/89/39/429318939.db2.gz FHUGUFFOUBLQCP-UHFFFAOYSA-N 1 2 305.337 2.781 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020429 429324165 /nfs/dbraw/zinc/32/41/65/429324165.db2.gz ZEQAGTAQITVTNX-KBPBESRZSA-N 1 2 308.447 2.675 20 30 DFEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449020429 429324171 /nfs/dbraw/zinc/32/41/71/429324171.db2.gz ZEQAGTAQITVTNX-KBPBESRZSA-N 1 2 308.447 2.675 20 30 DFEDLO CC(C)[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000499260801 429326843 /nfs/dbraw/zinc/32/68/43/429326843.db2.gz IDNXZNHITHFNSI-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000499260801 429326849 /nfs/dbraw/zinc/32/68/49/429326849.db2.gz IDNXZNHITHFNSI-UHFFFAOYSA-N 1 2 318.417 2.989 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491178632 429330294 /nfs/dbraw/zinc/33/02/94/429330294.db2.gz AUDIUNXIAPLJJJ-UHFFFAOYSA-N 1 2 316.364 2.543 20 30 DFEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(N2CCCC2)nc1 ZINC000491230806 429338070 /nfs/dbraw/zinc/33/80/70/429338070.db2.gz PBXGBZPDWCRVKK-UHFFFAOYSA-N 1 2 306.413 2.712 20 30 DFEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(N2CCCC2)nc1 ZINC000491230806 429338073 /nfs/dbraw/zinc/33/80/73/429338073.db2.gz PBXGBZPDWCRVKK-UHFFFAOYSA-N 1 2 306.413 2.712 20 30 DFEDLO C#C[C@H]([NH2+]Cc1cnc2cnccn12)c1ccc(Cl)cc1F ZINC000491264455 429341062 /nfs/dbraw/zinc/34/10/62/429341062.db2.gz GQZVKZFWGMQNSS-HNNXBMFYSA-N 1 2 314.751 2.986 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446759456 429301149 /nfs/dbraw/zinc/30/11/49/429301149.db2.gz CEMFUUPDPNNTIN-SZMVWBNQSA-N 1 2 315.388 2.983 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446759456 429301150 /nfs/dbraw/zinc/30/11/50/429301150.db2.gz CEMFUUPDPNNTIN-SZMVWBNQSA-N 1 2 315.388 2.983 20 30 DFEDLO C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000456421587 429302517 /nfs/dbraw/zinc/30/25/17/429302517.db2.gz NMWKIKSIVIMEEB-DOMZBBRYSA-N 1 2 306.369 2.609 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447404494 429303488 /nfs/dbraw/zinc/30/34/88/429303488.db2.gz JZUKJALPJRXWHH-AWEZNQCLSA-N 1 2 320.481 2.952 20 30 DFEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447404494 429303489 /nfs/dbraw/zinc/30/34/89/429303489.db2.gz JZUKJALPJRXWHH-AWEZNQCLSA-N 1 2 320.481 2.952 20 30 DFEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000490761172 429303693 /nfs/dbraw/zinc/30/36/93/429303693.db2.gz RRQRAKKYEDRCJT-IBGZPJMESA-N 1 2 322.433 2.522 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)c2[nH+]ccn21 ZINC000456427574 429304218 /nfs/dbraw/zinc/30/42/18/429304218.db2.gz RBQMLGSIBOKDKL-BXUZGUMPSA-N 1 2 312.398 2.935 20 30 DFEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C#N)cc1OC ZINC000447845529 429306800 /nfs/dbraw/zinc/30/68/00/429306800.db2.gz VBTKJQFNJWOEJW-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)cc1OC ZINC000447845529 429306803 /nfs/dbraw/zinc/30/68/03/429306803.db2.gz VBTKJQFNJWOEJW-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365382924 429309888 /nfs/dbraw/zinc/30/98/88/429309888.db2.gz DUUMLENCZCZHFS-ZDUSSCGKSA-N 1 2 319.771 2.875 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000496486251 429314255 /nfs/dbraw/zinc/31/42/55/429314255.db2.gz MZZQAHLFDMFRTO-ZDUSSCGKSA-N 1 2 319.380 2.796 20 30 DFEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000496486251 429314257 /nfs/dbraw/zinc/31/42/57/429314257.db2.gz MZZQAHLFDMFRTO-ZDUSSCGKSA-N 1 2 319.380 2.796 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000491381351 429354821 /nfs/dbraw/zinc/35/48/21/429354821.db2.gz DGGNPZUJVFBIJS-UHFFFAOYSA-N 1 2 311.472 2.920 20 30 DFEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000491381351 429354826 /nfs/dbraw/zinc/35/48/26/429354826.db2.gz DGGNPZUJVFBIJS-UHFFFAOYSA-N 1 2 311.472 2.920 20 30 DFEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000449197762 429356332 /nfs/dbraw/zinc/35/63/32/429356332.db2.gz XMOUADPWPGAGPL-UHFFFAOYSA-N 1 2 313.445 2.862 20 30 DFEDLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c[nH+]1 ZINC000456859755 429358018 /nfs/dbraw/zinc/35/80/18/429358018.db2.gz NDHSSQHLGLNAPI-CQSZACIVSA-N 1 2 309.369 2.654 20 30 DFEDLO C=CCCCC[C@@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000449210246 429358742 /nfs/dbraw/zinc/35/87/42/429358742.db2.gz RKMARVJCINADJW-MRXNPFEDSA-N 1 2 306.454 2.762 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)cc1 ZINC000491454582 429362982 /nfs/dbraw/zinc/36/29/82/429362982.db2.gz ZWWIZYXFMYKQJT-BBRMVZONSA-N 1 2 313.788 2.590 20 30 DFEDLO Cc1cc(Nc2ccc(C#N)c(N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000514679280 429368351 /nfs/dbraw/zinc/36/83/51/429368351.db2.gz KRBFPLODHAGGLQ-ZDUSSCGKSA-N 1 2 322.416 3.361 20 30 DFEDLO C#C[C@@H](CC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491553826 429373925 /nfs/dbraw/zinc/37/39/25/429373925.db2.gz DABVCWCVXDYRLO-HOCLYGCPSA-N 1 2 315.417 2.613 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2csc(C)c2)n1 ZINC000491643264 429383352 /nfs/dbraw/zinc/38/33/52/429383352.db2.gz DVWACLJEEWJHFN-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2csc(C)c2)n1 ZINC000491643264 429383357 /nfs/dbraw/zinc/38/33/57/429383357.db2.gz DVWACLJEEWJHFN-UHFFFAOYSA-N 1 2 303.431 2.535 20 30 DFEDLO C#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000491657352 429385955 /nfs/dbraw/zinc/38/59/55/429385955.db2.gz JZKROCDRUYLSPW-INIZCTEOSA-N 1 2 307.328 2.507 20 30 DFEDLO C#C[C@H](CCC)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000491657977 429387302 /nfs/dbraw/zinc/38/73/02/429387302.db2.gz KUQOUKOCWINNGU-OAHLLOKOSA-N 1 2 304.438 2.669 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000491670323 429387757 /nfs/dbraw/zinc/38/77/57/429387757.db2.gz LXJUROKLCWHTHX-LSDHHAIUSA-N 1 2 314.433 2.520 20 30 DFEDLO CC(C)(C)[C@H](C#N)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000427495722 429453478 /nfs/dbraw/zinc/45/34/78/429453478.db2.gz GIMCDWZJSCNMTK-INIZCTEOSA-N 1 2 310.401 2.528 20 30 DFEDLO C=CCC1(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000457444536 429465499 /nfs/dbraw/zinc/46/54/99/429465499.db2.gz TWYSVODMAMQHNL-UHFFFAOYSA-N 1 2 323.481 2.675 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491814137 429414574 /nfs/dbraw/zinc/41/45/74/429414574.db2.gz 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DFEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000637324320 430024228 /nfs/dbraw/zinc/02/42/28/430024228.db2.gz UZFXOJJJNXOWGK-ZFWWWQNUSA-N 1 2 320.437 2.542 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000575069953 430054361 /nfs/dbraw/zinc/05/43/61/430054361.db2.gz NHEMQVCJNOZKBW-ZFWWWQNUSA-N 1 2 316.380 2.743 20 30 DFEDLO C[C@@H](NC(=O)NCC1(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000562381352 430125039 /nfs/dbraw/zinc/12/50/39/430125039.db2.gz RFQVTTDVAXNTAC-CYBMUJFWSA-N 1 2 309.373 2.536 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562479402 430135867 /nfs/dbraw/zinc/13/58/67/430135867.db2.gz ZEFYWOWAKURWRV-MSOLQXFVSA-N 1 2 321.380 2.657 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562479402 430135872 /nfs/dbraw/zinc/13/58/72/430135872.db2.gz ZEFYWOWAKURWRV-MSOLQXFVSA-N 1 2 321.380 2.657 20 30 DFEDLO COc1coc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1=O ZINC000531870172 430148933 /nfs/dbraw/zinc/14/89/33/430148933.db2.gz YSBOBUGUZGWJBN-DLBZAZTESA-N 1 2 324.380 2.920 20 30 DFEDLO COc1coc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1=O ZINC000531870172 430148937 /nfs/dbraw/zinc/14/89/37/430148937.db2.gz YSBOBUGUZGWJBN-DLBZAZTESA-N 1 2 324.380 2.920 20 30 DFEDLO CC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(OC)cc1 ZINC000565051774 430202674 /nfs/dbraw/zinc/20/26/74/430202674.db2.gz RAUGIEYCUJDRCI-KDOFPFPSSA-N 1 2 317.433 2.539 20 30 DFEDLO C=CCn1c(C)cc(C(=O)CSC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000564451528 430196249 /nfs/dbraw/zinc/19/62/49/430196249.db2.gz PGKHJTIGTJEZLS-HNNXBMFYSA-N 1 2 322.474 2.537 20 30 DFEDLO C=CCn1c(C)cc(C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000564451528 430196255 /nfs/dbraw/zinc/19/62/55/430196255.db2.gz PGKHJTIGTJEZLS-HNNXBMFYSA-N 1 2 322.474 2.537 20 30 DFEDLO Cc1ccc(SCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000566537932 430268199 /nfs/dbraw/zinc/26/81/99/430268199.db2.gz UMOIUHPIJQVEKS-QGZVFWFLSA-N 1 2 319.474 2.746 20 30 DFEDLO N#Cc1cccc(OCCC[N@@H+]2Cc3ccccc3NC(=O)C2)c1 ZINC000581734209 430235912 /nfs/dbraw/zinc/23/59/12/430235912.db2.gz DVQLAZDTYRECAD-UHFFFAOYSA-N 1 2 321.380 2.781 20 30 DFEDLO N#Cc1cccc(OCCC[N@H+]2Cc3ccccc3NC(=O)C2)c1 ZINC000581734209 430235915 /nfs/dbraw/zinc/23/59/15/430235915.db2.gz DVQLAZDTYRECAD-UHFFFAOYSA-N 1 2 321.380 2.781 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(Cl)c2Cl)nn1 ZINC000640942564 430286226 /nfs/dbraw/zinc/28/62/26/430286226.db2.gz LOEORUMAJDJUEU-UHFFFAOYSA-N 1 2 309.200 2.746 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC[C@H](C#N)CCC#N)c1cccc(F)c1 ZINC000567935061 430295098 /nfs/dbraw/zinc/29/50/98/430295098.db2.gz ZPXHDVYFTFJIFT-XJKSGUPXSA-N 1 2 311.364 2.682 20 30 DFEDLO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995631 430303799 /nfs/dbraw/zinc/30/37/99/430303799.db2.gz QLRDGHBBZGGDBA-MLGOLLRUSA-N 1 2 323.437 2.514 20 30 DFEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)c2ccc(F)cc2F)nn1 ZINC000641059207 430316557 /nfs/dbraw/zinc/31/65/57/430316557.db2.gz JMHSSQNUBATFBB-INIZCTEOSA-N 1 2 304.344 2.669 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2c(Cl)oc3ccccc32)nn1 ZINC000641206054 430361729 /nfs/dbraw/zinc/36/17/29/430361729.db2.gz KZQPHJXLFDZHHP-UHFFFAOYSA-N 1 2 314.776 2.839 20 30 DFEDLO C=CCC[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000641388801 430393744 /nfs/dbraw/zinc/39/37/44/430393744.db2.gz XDIVCFKUCXBSTP-MRXNPFEDSA-N 1 2 319.430 2.510 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568897804 430403911 /nfs/dbraw/zinc/40/39/11/430403911.db2.gz CFZIZYULEHLPLO-JQWIXIFHSA-N 1 2 304.781 2.821 20 30 DFEDLO COc1cc(CC2CN(c3cc(C)[nH+]cc3C#N)C2)cc(OC)c1 ZINC000569805200 430486971 /nfs/dbraw/zinc/48/69/71/430486971.db2.gz MBIGHNCZOWMRQT-UHFFFAOYSA-N 1 2 323.396 2.958 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000569989924 430503808 /nfs/dbraw/zinc/50/38/08/430503808.db2.gz IGPLKTWWIJBCEY-PKOBYXMFSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000569989924 430503812 /nfs/dbraw/zinc/50/38/12/430503812.db2.gz IGPLKTWWIJBCEY-PKOBYXMFSA-N 1 2 323.371 2.655 20 30 DFEDLO CCc1nc(C#N)cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000596232150 430511363 /nfs/dbraw/zinc/51/13/63/430511363.db2.gz PYKIZKZSBSYFSL-OKILXGFUSA-N 1 2 322.416 3.141 20 30 DFEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227490 430591152 /nfs/dbraw/zinc/59/11/52/430591152.db2.gz HEDUJDLIDYSUCL-DOMZBBRYSA-N 1 2 312.373 2.562 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000639268557 430593403 /nfs/dbraw/zinc/59/34/03/430593403.db2.gz ZAKLTYVNSVDKJG-GOSISDBHSA-N 1 2 308.337 2.761 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000639268557 430593406 /nfs/dbraw/zinc/59/34/06/430593406.db2.gz ZAKLTYVNSVDKJG-GOSISDBHSA-N 1 2 308.337 2.761 20 30 DFEDLO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000552926575 430604370 /nfs/dbraw/zinc/60/43/70/430604370.db2.gz PKKUBBMPDHVZMS-CYBMUJFWSA-N 1 2 308.385 2.885 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(C3CC3)ccc2F)C(N)=O)cc1 ZINC000571539988 430635638 /nfs/dbraw/zinc/63/56/38/430635638.db2.gz RRCJWOPUZFRRGL-SFHVURJKSA-N 1 2 323.371 2.891 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)C(N)=O)cc1 ZINC000571539982 430635853 /nfs/dbraw/zinc/63/58/53/430635853.db2.gz RRCJWOPUZFRRGL-GOSISDBHSA-N 1 2 323.371 2.891 20 30 DFEDLO C=CCC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000556600434 430687657 /nfs/dbraw/zinc/68/76/57/430687657.db2.gz GVQOYLVEPRWBCT-CQSZACIVSA-N 1 2 302.422 2.634 20 30 DFEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)C(C)(C)C ZINC000661756393 430831887 /nfs/dbraw/zinc/83/18/87/430831887.db2.gz NDUZEUOZQRNRAT-UHFFFAOYSA-N 1 2 311.447 2.755 20 30 DFEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)C(C)(C)C ZINC000661756393 430831892 /nfs/dbraw/zinc/83/18/92/430831892.db2.gz NDUZEUOZQRNRAT-UHFFFAOYSA-N 1 2 311.447 2.755 20 30 DFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665389627 430919600 /nfs/dbraw/zinc/91/96/00/430919600.db2.gz MHFMUWYHEHJPPZ-CABCVRRESA-N 1 2 302.422 2.852 20 30 DFEDLO C=CCOCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199449 430994713 /nfs/dbraw/zinc/99/47/13/430994713.db2.gz WQAIWWVNEKZREJ-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCOCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199449 430994718 /nfs/dbraw/zinc/99/47/18/430994718.db2.gz WQAIWWVNEKZREJ-UHFFFAOYSA-N 1 2 312.207 2.846 20 30 DFEDLO C=CCCCCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662224088 431006411 /nfs/dbraw/zinc/00/64/11/431006411.db2.gz AJASPSQNWGCAPK-UHFFFAOYSA-N 1 2 314.476 2.500 20 30 DFEDLO C=CCCCCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662224088 431006417 /nfs/dbraw/zinc/00/64/17/431006417.db2.gz AJASPSQNWGCAPK-UHFFFAOYSA-N 1 2 314.476 2.500 20 30 DFEDLO C=C(C)CN(CC)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645933691 431118652 /nfs/dbraw/zinc/11/86/52/431118652.db2.gz PSUCSLVAWROGFY-UHFFFAOYSA-N 1 2 300.406 2.793 20 30 DFEDLO C=C[C@@H]1CCCCN1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645931561 431119819 /nfs/dbraw/zinc/11/98/19/431119819.db2.gz YYICEOAWHHJAGU-MRXNPFEDSA-N 1 2 312.417 2.935 20 30 DFEDLO C=CCNC(=O)c1ccc(NCCc2[nH+]cc(C)cc2C)nc1 ZINC000656211295 431314299 /nfs/dbraw/zinc/31/42/99/431314299.db2.gz VLSUKYCUHOJNCM-UHFFFAOYSA-N 1 2 310.401 2.664 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000660295048 431366243 /nfs/dbraw/zinc/36/62/43/431366243.db2.gz MVKSZWGYESJLKV-HNNXBMFYSA-N 1 2 312.417 2.875 20 30 DFEDLO C=CCCC1(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000660345289 431391445 /nfs/dbraw/zinc/39/14/45/431391445.db2.gz NLSCVWSBGAEZRX-INIZCTEOSA-N 1 2 323.481 2.533 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)nc1 ZINC000653572636 431442874 /nfs/dbraw/zinc/44/28/74/431442874.db2.gz QMNURWGKDUCWHI-UHFFFAOYSA-N 1 2 321.380 2.754 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)nn1 ZINC000653598189 431454655 /nfs/dbraw/zinc/45/46/55/431454655.db2.gz PZFFEHWQWUWNNA-ZDUSSCGKSA-N 1 2 316.405 2.722 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)nn1 ZINC000653599499 431454891 /nfs/dbraw/zinc/45/48/91/431454891.db2.gz QHUPAAZTYAOIDW-CYBMUJFWSA-N 1 2 313.405 2.663 20 30 DFEDLO C=CCCn1cc(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)nn1 ZINC000653904014 431578444 /nfs/dbraw/zinc/57/84/44/431578444.db2.gz NERALOLSRLRJGX-HNNXBMFYSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)nn1 ZINC000653904014 431578450 /nfs/dbraw/zinc/57/84/50/431578450.db2.gz NERALOLSRLRJGX-HNNXBMFYSA-N 1 2 304.438 2.778 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OCC)c(OC)c2)nn1 ZINC000657308602 431666708 /nfs/dbraw/zinc/66/67/08/431666708.db2.gz UOMMDECVFOSDLB-UHFFFAOYSA-N 1 2 316.405 2.551 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000664144868 431670773 /nfs/dbraw/zinc/67/07/73/431670773.db2.gz PNSQMQTXCDGKHB-LSDHHAIUSA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000664144868 431670778 /nfs/dbraw/zinc/67/07/78/431670778.db2.gz PNSQMQTXCDGKHB-LSDHHAIUSA-N 1 2 302.422 2.860 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660952890 431674973 /nfs/dbraw/zinc/67/49/73/431674973.db2.gz RGHDGCWNPSPXMC-HOTGVXAUSA-N 1 2 314.433 2.658 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)nn1 ZINC000657335814 431683622 /nfs/dbraw/zinc/68/36/22/431683622.db2.gz NAUOSILVRJCMIO-ZWKOTPCHSA-N 1 2 312.417 2.864 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150090 431753402 /nfs/dbraw/zinc/75/34/02/431753402.db2.gz HYUWVMXEIAECPQ-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150090 431753409 /nfs/dbraw/zinc/75/34/09/431753409.db2.gz HYUWVMXEIAECPQ-UKRRQHHQSA-N 1 2 313.401 2.842 20 30 DFEDLO C=CCOc1ccc(CNC(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000661164156 431755263 /nfs/dbraw/zinc/75/52/63/431755263.db2.gz DCRQOIDZRCJJDV-CYBMUJFWSA-N 1 2 314.389 2.545 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2c(Cl)cccc2OC)nn1 ZINC000657446072 431756102 /nfs/dbraw/zinc/75/61/02/431756102.db2.gz ANMMVPVMKZVFHU-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000664254488 431715333 /nfs/dbraw/zinc/71/53/33/431715333.db2.gz FDIVFGBVHPONCC-HNNXBMFYSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000664254488 431715337 /nfs/dbraw/zinc/71/53/37/431715337.db2.gz FDIVFGBVHPONCC-HNNXBMFYSA-N 1 2 316.449 2.620 20 30 DFEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)COC ZINC000661242817 431792256 /nfs/dbraw/zinc/79/22/56/431792256.db2.gz GEHQBHLFFZXFJT-CQSZACIVSA-N 1 2 301.390 2.683 20 30 DFEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)COC ZINC000661242817 431792259 /nfs/dbraw/zinc/79/22/59/431792259.db2.gz GEHQBHLFFZXFJT-CQSZACIVSA-N 1 2 301.390 2.683 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)[C@@H](C)COC ZINC000661241919 431792276 /nfs/dbraw/zinc/79/22/76/431792276.db2.gz DWTSVILUWIHXGJ-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)[C@@H](C)COC ZINC000661241919 431792281 /nfs/dbraw/zinc/79/22/81/431792281.db2.gz DWTSVILUWIHXGJ-ZDUSSCGKSA-N 1 2 308.447 2.870 20 30 DFEDLO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)[C@H](C)COC ZINC000661248205 431795913 /nfs/dbraw/zinc/79/59/13/431795913.db2.gz UIFQXIBGXSJTNH-CQSZACIVSA-N 1 2 320.458 2.648 20 30 DFEDLO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)[C@H](C)COC ZINC000661248205 431795918 /nfs/dbraw/zinc/79/59/18/431795918.db2.gz UIFQXIBGXSJTNH-CQSZACIVSA-N 1 2 320.458 2.648 20 30 DFEDLO C=CCC1(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCC1 ZINC000664502003 431801511 /nfs/dbraw/zinc/80/15/11/431801511.db2.gz LROVFDURKYCVFX-CQSZACIVSA-N 1 2 302.422 2.949 20 30 DFEDLO C=CCC1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000664522447 431807102 /nfs/dbraw/zinc/80/71/02/431807102.db2.gz VWPGOHOCQONDBS-OAHLLOKOSA-N 1 2 314.433 2.848 20 30 DFEDLO Cc1ccc([C@H](CNc2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000071968876 280988908 /nfs/dbraw/zinc/98/89/08/280988908.db2.gz JCWLYGGQYFPJQN-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2C#N)CCS1 ZINC000535204053 301251009 /nfs/dbraw/zinc/25/10/09/301251009.db2.gz BERGRJWIHBEBTL-CYBMUJFWSA-N 1 2 304.415 2.672 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2C#N)CCS1 ZINC000535204053 301251010 /nfs/dbraw/zinc/25/10/10/301251010.db2.gz BERGRJWIHBEBTL-CYBMUJFWSA-N 1 2 304.415 2.672 20 30 DFEDLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cccc(C#N)c1 ZINC000538394647 301320932 /nfs/dbraw/zinc/32/09/32/301320932.db2.gz JHHRDNMGAHUSFM-SECBINFHSA-N 1 2 305.179 2.895 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539789357 301349190 /nfs/dbraw/zinc/34/91/90/301349190.db2.gz FCYGFJYKIMWMLR-UHFFFAOYSA-N 1 2 316.792 2.994 20 30 DFEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(C)s2)c1C#N ZINC000541683721 301393462 /nfs/dbraw/zinc/39/34/62/301393462.db2.gz WNURSISEOUPDKQ-NSHDSACASA-N 1 2 315.398 2.961 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)s1 ZINC000552023029 301676509 /nfs/dbraw/zinc/67/65/09/301676509.db2.gz VIMPDEOVVJKHAN-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c2[nH+]ccn21 ZINC000563285579 302058689 /nfs/dbraw/zinc/05/86/89/302058689.db2.gz NQKXQRPNDMDOIS-KSYCFECVSA-N 1 2 306.369 2.680 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000564089882 302118277 /nfs/dbraw/zinc/11/82/77/302118277.db2.gz JSQBTUYNOIMPFE-GASCZTMLSA-N 1 2 303.362 2.856 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000564089882 302118278 /nfs/dbraw/zinc/11/82/78/302118278.db2.gz JSQBTUYNOIMPFE-GASCZTMLSA-N 1 2 303.362 2.856 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000566001468 302252225 /nfs/dbraw/zinc/25/22/25/302252225.db2.gz DEBVSBSEFUSJPP-AWEZNQCLSA-N 1 2 314.776 2.826 20 30 DFEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000571975474 302638853 /nfs/dbraw/zinc/63/88/53/302638853.db2.gz WMJSVXWGPWBBGC-NOZJJQNGSA-N 1 2 300.749 2.844 20 30 DFEDLO CN(C)c1ccc2cc(NC(=O)c3ccc(C#N)cn3)ccc2[nH+]1 ZINC000170965272 315904060 /nfs/dbraw/zinc/90/40/60/315904060.db2.gz VDAYEJWBWMUJDD-UHFFFAOYSA-N 1 2 317.352 2.820 20 30 DFEDLO CC(C)[C@@H]([NH2+]CCOc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000180037828 316024733 /nfs/dbraw/zinc/02/47/33/316024733.db2.gz BUMXCRFOWFVRJX-MRXNPFEDSA-N 1 2 318.417 2.893 20 30 DFEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000184719627 316173014 /nfs/dbraw/zinc/17/30/14/316173014.db2.gz MOZCYZXARFUDDD-NSHDSACASA-N 1 2 314.414 2.866 20 30 DFEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000577718621 318211796 /nfs/dbraw/zinc/21/17/96/318211796.db2.gz HDJKGPUOSNLMEB-LSDHHAIUSA-N 1 2 306.369 2.833 20 30 DFEDLO N#Cc1cnc(C[NH+]2CCC(OCC3CCCCC3)CC2)nc1 ZINC000579212659 318314865 /nfs/dbraw/zinc/31/48/65/318314865.db2.gz JIKRUWJQHSIIDQ-UHFFFAOYSA-N 1 2 314.433 2.910 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000580133572 318377426 /nfs/dbraw/zinc/37/74/26/318377426.db2.gz RBWITKKNFBZZMX-LLVKDONJSA-N 1 2 308.328 2.822 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000580133572 318377428 /nfs/dbraw/zinc/37/74/28/318377428.db2.gz RBWITKKNFBZZMX-LLVKDONJSA-N 1 2 308.328 2.822 20 30 DFEDLO CCc1nc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)n[nH]1 ZINC000191693684 323238078 /nfs/dbraw/zinc/23/80/78/323238078.db2.gz ZJFHIBIAJHXECA-UHFFFAOYSA-N 1 2 301.419 2.680 20 30 DFEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000194549540 323270249 /nfs/dbraw/zinc/27/02/49/323270249.db2.gz XRKOSQIAFQXOFO-UHFFFAOYSA-N 1 2 308.381 2.776 20 30 DFEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000194549540 323270252 /nfs/dbraw/zinc/27/02/52/323270252.db2.gz XRKOSQIAFQXOFO-UHFFFAOYSA-N 1 2 308.381 2.776 20 30 DFEDLO Cc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)sc1SCC#N ZINC000518193999 331996539 /nfs/dbraw/zinc/99/65/39/331996539.db2.gz DNIRLZVCGCSBPT-VIFPVBQESA-N 1 2 321.431 2.854 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000370796418 332253855 /nfs/dbraw/zinc/25/38/55/332253855.db2.gz RXFNJEVMKQUWJQ-UHFFFAOYSA-N 1 2 324.428 2.597 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000370796418 332253856 /nfs/dbraw/zinc/25/38/56/332253856.db2.gz RXFNJEVMKQUWJQ-UHFFFAOYSA-N 1 2 324.428 2.597 20 30 DFEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000292896105 335097381 /nfs/dbraw/zinc/09/73/81/335097381.db2.gz AAOOJCVCSSYMGK-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000292896105 335097383 /nfs/dbraw/zinc/09/73/83/335097383.db2.gz AAOOJCVCSSYMGK-LLVKDONJSA-N 1 2 309.207 2.731 20 30 DFEDLO C#CCOc1ccccc1CN[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371087033 332327333 /nfs/dbraw/zinc/32/73/33/332327333.db2.gz KTAUEKGMSZLLOD-LJQANCHMSA-N 1 2 306.409 2.975 20 30 DFEDLO C#CCOc1ccccc1CN[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371087033 332327334 /nfs/dbraw/zinc/32/73/34/332327334.db2.gz KTAUEKGMSZLLOD-LJQANCHMSA-N 1 2 306.409 2.975 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000449526732 332359173 /nfs/dbraw/zinc/35/91/73/332359173.db2.gz FIVKELGMJQNQMU-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000449526732 332359174 /nfs/dbraw/zinc/35/91/74/332359174.db2.gz FIVKELGMJQNQMU-INIZCTEOSA-N 1 2 323.458 2.651 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000119969463 332380383 /nfs/dbraw/zinc/38/03/83/332380383.db2.gz PZNSMLGBQAWBOA-KBPBESRZSA-N 1 2 308.447 2.812 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000119969463 332380384 /nfs/dbraw/zinc/38/03/84/332380384.db2.gz PZNSMLGBQAWBOA-KBPBESRZSA-N 1 2 308.447 2.812 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000562940387 332648855 /nfs/dbraw/zinc/64/88/55/332648855.db2.gz WDRAVVBIKQEGKP-WBVHZDCISA-N 1 2 313.401 2.585 20 30 DFEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000293922412 335115772 /nfs/dbraw/zinc/11/57/72/335115772.db2.gz YBHHYWLTEWXHAJ-HNNXBMFYSA-N 1 2 313.344 2.864 20 30 DFEDLO C=CCOCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000293922412 335115774 /nfs/dbraw/zinc/11/57/74/335115774.db2.gz YBHHYWLTEWXHAJ-HNNXBMFYSA-N 1 2 313.344 2.864 20 30 DFEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC2(C#N)CC2)cc1 ZINC000563002927 333032421 /nfs/dbraw/zinc/03/24/21/333032421.db2.gz LSPUPFJIJKVCRS-UHFFFAOYSA-N 1 2 320.458 2.651 20 30 DFEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000188450235 333046194 /nfs/dbraw/zinc/04/61/94/333046194.db2.gz FXDBJISCVRYXPJ-GFCCVEGCSA-N 1 2 323.183 2.650 20 30 DFEDLO CC(C)c1noc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000172059442 333058192 /nfs/dbraw/zinc/05/81/92/333058192.db2.gz MOYDIRLIHCFLLT-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nc(C3CC3)no2)cc1 ZINC000174124084 333082402 /nfs/dbraw/zinc/08/24/02/333082402.db2.gz UXKXTBGXPHUWOB-SNVBAGLBSA-N 1 2 316.361 2.548 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175128754 333095293 /nfs/dbraw/zinc/09/52/93/333095293.db2.gz FFIMRZHRGDFPOV-AEFFLSMTSA-N 1 2 316.449 2.607 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175128754 333095294 /nfs/dbraw/zinc/09/52/94/333095294.db2.gz FFIMRZHRGDFPOV-AEFFLSMTSA-N 1 2 316.449 2.607 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000294316906 335121005 /nfs/dbraw/zinc/12/10/05/335121005.db2.gz CZXQWSSMXKFBJT-QGZVFWFLSA-N 1 2 316.445 2.697 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177526054 333129749 /nfs/dbraw/zinc/12/97/49/333129749.db2.gz SDJQZSQMQJCCSN-PBHICJAKSA-N 1 2 308.385 2.672 20 30 DFEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)cs1 ZINC000177612728 333130613 /nfs/dbraw/zinc/13/06/13/333130613.db2.gz WLUCNFFGGKOHQJ-QWRGUYRKSA-N 1 2 315.439 2.700 20 30 DFEDLO C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Cn1cc[nH+]c1 ZINC000180449371 333162095 /nfs/dbraw/zinc/16/20/95/333162095.db2.gz QAGZAMSNKVBYKU-CQSZACIVSA-N 1 2 308.385 2.504 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2CC)CC1 ZINC000294612076 335126476 /nfs/dbraw/zinc/12/64/76/335126476.db2.gz QUPVSHKAFDDJFU-UHFFFAOYSA-N 1 2 310.397 2.776 20 30 DFEDLO CCC[C@@](C)([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)OC ZINC000184048024 333191353 /nfs/dbraw/zinc/19/13/53/333191353.db2.gz DISRTMQZVPPGHM-GOSISDBHSA-N 1 2 317.433 2.858 20 30 DFEDLO CCC[C@](C)([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)OC ZINC000184048008 333191387 /nfs/dbraw/zinc/19/13/87/333191387.db2.gz DISRTMQZVPPGHM-SFHVURJKSA-N 1 2 317.433 2.858 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000184983236 333203165 /nfs/dbraw/zinc/20/31/65/333203165.db2.gz BYVPEAORGWYTSZ-CYBMUJFWSA-N 1 2 320.462 2.787 20 30 DFEDLO C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294949883 335129224 /nfs/dbraw/zinc/12/92/24/335129224.db2.gz INGLHPGLNRKPQS-QUCCMNQESA-N 1 2 313.489 2.584 20 30 DFEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSCC#N)n2)C1 ZINC000192547591 333289525 /nfs/dbraw/zinc/28/95/25/333289525.db2.gz DLFDFNFDJGAFJU-NSHDSACASA-N 1 2 324.475 2.570 20 30 DFEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSCC#N)n2)C1 ZINC000192547591 333289527 /nfs/dbraw/zinc/28/95/27/333289527.db2.gz DLFDFNFDJGAFJU-NSHDSACASA-N 1 2 324.475 2.570 20 30 DFEDLO COc1nccnc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000295375860 335133710 /nfs/dbraw/zinc/13/37/10/335133710.db2.gz KAMLAMNRZMMPHO-UHFFFAOYSA-N 1 2 321.302 2.645 20 30 DFEDLO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccsc1)C[C@@H](C)C#N ZINC000364516220 333324844 /nfs/dbraw/zinc/32/48/44/333324844.db2.gz CFLFYYWFISKWOD-ZFWWWQNUSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccsc1)C[C@@H](C)C#N ZINC000364516220 333324846 /nfs/dbraw/zinc/32/48/46/333324846.db2.gz CFLFYYWFISKWOD-ZFWWWQNUSA-N 1 2 305.447 2.893 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111376491 333328976 /nfs/dbraw/zinc/32/89/76/333328976.db2.gz SOFOGOISXIEKCM-STQMWFEESA-N 1 2 307.463 2.945 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364896178 333332755 /nfs/dbraw/zinc/33/27/55/333332755.db2.gz ORLAIKRZEKHNOU-HZPDHXFCSA-N 1 2 308.385 2.607 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000119113095 333342855 /nfs/dbraw/zinc/34/28/55/333342855.db2.gz GUDMSLPRGDBJEA-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000119113095 333342858 /nfs/dbraw/zinc/34/28/58/333342858.db2.gz GUDMSLPRGDBJEA-SCLBCKFNSA-N 1 2 317.408 2.627 20 30 DFEDLO C#CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(F)cc1 ZINC000295471365 335135180 /nfs/dbraw/zinc/13/51/80/335135180.db2.gz WNHLQIRYCWEGQN-UHFFFAOYSA-N 1 2 307.319 2.923 20 30 DFEDLO C#CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(F)cc1 ZINC000295471365 335135181 /nfs/dbraw/zinc/13/51/81/335135181.db2.gz WNHLQIRYCWEGQN-UHFFFAOYSA-N 1 2 307.319 2.923 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)CCCCC1 ZINC000531440523 333353478 /nfs/dbraw/zinc/35/34/78/333353478.db2.gz UNVROVYJCVMMRK-MRXNPFEDSA-N 1 2 312.417 2.561 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)CCCCC1 ZINC000531440523 333353479 /nfs/dbraw/zinc/35/34/79/333353479.db2.gz UNVROVYJCVMMRK-MRXNPFEDSA-N 1 2 312.417 2.561 20 30 DFEDLO C=CC1CC[NH+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000161780520 333376367 /nfs/dbraw/zinc/37/63/67/333376367.db2.gz BETUTIOIIMQYMI-UHFFFAOYSA-N 1 2 303.431 2.999 20 30 DFEDLO CC#CCCCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000185555919 335139367 /nfs/dbraw/zinc/13/93/67/335139367.db2.gz GRJBQNILKKYAQY-UHFFFAOYSA-N 1 2 314.429 2.545 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000296461677 335142194 /nfs/dbraw/zinc/14/21/94/335142194.db2.gz XMGKSPXHKPPOPA-QGZVFWFLSA-N 1 2 324.428 2.900 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000296461677 335142196 /nfs/dbraw/zinc/14/21/96/335142196.db2.gz XMGKSPXHKPPOPA-QGZVFWFLSA-N 1 2 324.428 2.900 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000366403722 333527593 /nfs/dbraw/zinc/52/75/93/333527593.db2.gz KYKVAKNUDFTSEO-QZTJIDSGSA-N 1 2 322.412 2.651 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000296851407 335146964 /nfs/dbraw/zinc/14/69/64/335146964.db2.gz UGRIKEIRRHSVKC-LSDHHAIUSA-N 1 2 315.417 2.746 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000565173611 333639158 /nfs/dbraw/zinc/63/91/58/333639158.db2.gz OEUQRYFPDAMVTJ-VIFPVBQESA-N 1 2 302.403 2.667 20 30 DFEDLO N#CC1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCOCC1 ZINC000339978361 333702666 /nfs/dbraw/zinc/70/26/66/333702666.db2.gz XAVFFQNGVSEFSZ-UHFFFAOYSA-N 1 2 323.352 2.676 20 30 DFEDLO C[C@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1ccccc1 ZINC000158288359 333755265 /nfs/dbraw/zinc/75/52/65/333755265.db2.gz ZJAQUMVMKZNKNS-GOSISDBHSA-N 1 2 312.800 2.682 20 30 DFEDLO C[C@@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1ccccc1 ZINC000158288497 333756096 /nfs/dbraw/zinc/75/60/96/333756096.db2.gz ZJAQUMVMKZNKNS-SFHVURJKSA-N 1 2 312.800 2.682 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(-n2cccn2)cc1 ZINC000266170643 333971635 /nfs/dbraw/zinc/97/16/35/333971635.db2.gz CBOKTWZTVZZKTO-AWEZNQCLSA-N 1 2 316.405 2.722 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635489 334002849 /nfs/dbraw/zinc/00/28/49/334002849.db2.gz HFQYAOKUJHAWLB-HNNXBMFYSA-N 1 2 305.378 2.890 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635489 334002850 /nfs/dbraw/zinc/00/28/50/334002850.db2.gz HFQYAOKUJHAWLB-HNNXBMFYSA-N 1 2 305.378 2.890 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000269652316 334002918 /nfs/dbraw/zinc/00/29/18/334002918.db2.gz UKRWDZYIAGWLDI-ZBFHGGJFSA-N 1 2 311.389 2.616 20 30 DFEDLO CCC(CC)CN(CCC#N)c1ncnc2c1C[N@H+](C)CC2 ZINC000269982851 334005742 /nfs/dbraw/zinc/00/57/42/334005742.db2.gz ROFZVMPWJKALLI-UHFFFAOYSA-N 1 2 301.438 2.621 20 30 DFEDLO CCC(CC)CN(CCC#N)c1ncnc2c1C[N@@H+](C)CC2 ZINC000269982851 334005744 /nfs/dbraw/zinc/00/57/44/334005744.db2.gz ROFZVMPWJKALLI-UHFFFAOYSA-N 1 2 301.438 2.621 20 30 DFEDLO COCCn1c(C)cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272483761 334035084 /nfs/dbraw/zinc/03/50/84/334035084.db2.gz BIAYONXYZOYEQO-UHFFFAOYSA-N 1 2 317.433 2.560 20 30 DFEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272522293 334036466 /nfs/dbraw/zinc/03/64/66/334036466.db2.gz HMJLQSYQNWWWCU-CYBMUJFWSA-N 1 2 313.401 2.842 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000273410969 334046267 /nfs/dbraw/zinc/04/62/67/334046267.db2.gz HWFFZQYDWHHIGL-OAHLLOKOSA-N 1 2 316.405 2.922 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000274781473 334066445 /nfs/dbraw/zinc/06/64/45/334066445.db2.gz KWDNOGLZKZRHLY-CYBMUJFWSA-N 1 2 315.186 2.857 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000274781473 334066446 /nfs/dbraw/zinc/06/64/46/334066446.db2.gz KWDNOGLZKZRHLY-CYBMUJFWSA-N 1 2 315.186 2.857 20 30 DFEDLO CCc1noc(C)c1CO[NH+]=C(N)COc1ccccc1F ZINC000275438189 334071240 /nfs/dbraw/zinc/07/12/40/334071240.db2.gz GXAAULYOXIMRPR-UHFFFAOYSA-N 1 2 307.325 2.552 20 30 DFEDLO COCCSCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000278167683 334093315 /nfs/dbraw/zinc/09/33/15/334093315.db2.gz AUVAXDGAYMGVFU-UHFFFAOYSA-N 1 2 300.399 2.541 20 30 DFEDLO CNC(=O)COc1ccc([NH2+]CCCC(C)(C)C#N)c(C)c1 ZINC000280009156 334113612 /nfs/dbraw/zinc/11/36/12/334113612.db2.gz IOFKYQVJSULEON-UHFFFAOYSA-N 1 2 303.406 2.862 20 30 DFEDLO CCCCCCCS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000281656855 334127612 /nfs/dbraw/zinc/12/76/12/334127612.db2.gz CAVQMGLXTWZGCQ-UHFFFAOYSA-N 1 2 313.467 2.537 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282416801 334134578 /nfs/dbraw/zinc/13/45/78/334134578.db2.gz LLNZMYQPDMSZIF-ZUEPYMLJSA-N 1 2 304.365 2.959 20 30 DFEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000284016612 334142079 /nfs/dbraw/zinc/14/20/79/334142079.db2.gz HWFCKFPLZUPOKV-YPMHNXCESA-N 1 2 301.346 2.870 20 30 DFEDLO CC1(C#N)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000284576814 334144013 /nfs/dbraw/zinc/14/40/13/334144013.db2.gz PJKYBARGCOLEMV-UHFFFAOYSA-N 1 2 319.434 2.506 20 30 DFEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCCF)c2)n1 ZINC000285198027 334146201 /nfs/dbraw/zinc/14/62/01/334146201.db2.gz OVLSPSYMIPPFIE-UHFFFAOYSA-N 1 2 318.396 2.935 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)CCCCC1 ZINC000285213621 334146374 /nfs/dbraw/zinc/14/63/74/334146374.db2.gz DUPJSZAJNKZPLD-UHFFFAOYSA-N 1 2 313.401 2.711 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)CCCCC1 ZINC000285213621 334146376 /nfs/dbraw/zinc/14/63/76/334146376.db2.gz DUPJSZAJNKZPLD-UHFFFAOYSA-N 1 2 313.401 2.711 20 30 DFEDLO COc1ccc(OC)c(/C=N/OCc2c[nH+]ccc2OC)c1 ZINC000288525956 334160640 /nfs/dbraw/zinc/16/06/40/334160640.db2.gz HDXNTXHXARUGFX-VCHYOVAHSA-N 1 2 302.330 2.658 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000291606890 334180162 /nfs/dbraw/zinc/18/01/62/334180162.db2.gz CLSDQWQMSQSXLF-ZBFHGGJFSA-N 1 2 307.344 2.520 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000291606890 334180164 /nfs/dbraw/zinc/18/01/64/334180164.db2.gz CLSDQWQMSQSXLF-ZBFHGGJFSA-N 1 2 307.344 2.520 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000292056993 334184078 /nfs/dbraw/zinc/18/40/78/334184078.db2.gz BICPMGZHGBHUON-HUUCEWRRSA-N 1 2 300.381 2.780 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000292056993 334184079 /nfs/dbraw/zinc/18/40/79/334184079.db2.gz BICPMGZHGBHUON-HUUCEWRRSA-N 1 2 300.381 2.780 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000292056991 334184101 /nfs/dbraw/zinc/18/41/01/334184101.db2.gz BICPMGZHGBHUON-CABCVRRESA-N 1 2 300.381 2.780 20 30 DFEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000292056991 334184103 /nfs/dbraw/zinc/18/41/03/334184103.db2.gz BICPMGZHGBHUON-CABCVRRESA-N 1 2 300.381 2.780 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCc1ccccc1Cl ZINC000292254393 334186043 /nfs/dbraw/zinc/18/60/43/334186043.db2.gz RAJZMIKMPWNGBQ-OAHLLOKOSA-N 1 2 308.809 2.619 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCc1ccccc1Cl ZINC000292254393 334186044 /nfs/dbraw/zinc/18/60/44/334186044.db2.gz RAJZMIKMPWNGBQ-OAHLLOKOSA-N 1 2 308.809 2.619 20 30 DFEDLO CC(C)(CCC#N)C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340391531 334187163 /nfs/dbraw/zinc/18/71/63/334187163.db2.gz KPIVDVUJAFVWGP-CQSZACIVSA-N 1 2 301.369 2.953 20 30 DFEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292475998 334188464 /nfs/dbraw/zinc/18/84/64/334188464.db2.gz RTUBISCLDLVAEX-OIISXLGYSA-N 1 2 313.445 2.919 20 30 DFEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292475998 334188466 /nfs/dbraw/zinc/18/84/66/334188466.db2.gz RTUBISCLDLVAEX-OIISXLGYSA-N 1 2 313.445 2.919 20 30 DFEDLO N#CCCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000292786200 334192377 /nfs/dbraw/zinc/19/23/77/334192377.db2.gz XSHUWCAFTVFWOT-UHFFFAOYSA-N 1 2 300.406 2.772 20 30 DFEDLO N#C[C@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC12CCCC2 ZINC000294256855 334207486 /nfs/dbraw/zinc/20/74/86/334207486.db2.gz GFVDOHLTUSLRPH-IBGZPJMESA-N 1 2 324.428 2.772 20 30 DFEDLO Cc1cnccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000294538121 334210623 /nfs/dbraw/zinc/21/06/23/334210623.db2.gz IBNDKPHPNIRANL-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@]3(C#N)CC34CCCC4)sc2C1 ZINC000294559725 334210802 /nfs/dbraw/zinc/21/08/02/334210802.db2.gz SVDZABINGCBNTP-MRXNPFEDSA-N 1 2 316.430 2.544 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)[C@]3(C#N)CC34CCCC4)sc2C1 ZINC000294559725 334210803 /nfs/dbraw/zinc/21/08/03/334210803.db2.gz SVDZABINGCBNTP-MRXNPFEDSA-N 1 2 316.430 2.544 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000298061992 334245942 /nfs/dbraw/zinc/24/59/42/334245942.db2.gz IWHPSJYAJKUIIN-CQSZACIVSA-N 1 2 303.381 2.574 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000298061992 334245943 /nfs/dbraw/zinc/24/59/43/334245943.db2.gz IWHPSJYAJKUIIN-CQSZACIVSA-N 1 2 303.381 2.574 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000298525321 334249424 /nfs/dbraw/zinc/24/94/24/334249424.db2.gz CCGSORVHWQAPIZ-DZGCQCFKSA-N 1 2 311.389 2.726 20 30 DFEDLO C[C@H](O)CNc1cc(N[C@H](CCC#N)c2ccccc2)[nH+]cn1 ZINC000298525321 334249425 /nfs/dbraw/zinc/24/94/25/334249425.db2.gz CCGSORVHWQAPIZ-DZGCQCFKSA-N 1 2 311.389 2.726 20 30 DFEDLO COc1ccc(CCC/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000298968071 334251996 /nfs/dbraw/zinc/25/19/96/334251996.db2.gz MLNLHGJISQGIQB-YBFXNURJSA-N 1 2 314.385 2.648 20 30 DFEDLO N#CCCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340838681 334389103 /nfs/dbraw/zinc/38/91/03/334389103.db2.gz BYIFNCRDPFEZIN-UHFFFAOYSA-N 1 2 317.437 2.779 20 30 DFEDLO CC#CCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000342417091 334534746 /nfs/dbraw/zinc/53/47/46/334534746.db2.gz SRENKCCIKCIKEL-HNNXBMFYSA-N 1 2 310.401 2.542 20 30 DFEDLO CC#CCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000443600689 338456232 /nfs/dbraw/zinc/45/62/32/338456232.db2.gz GIRHBNSWOWMNJQ-CQSZACIVSA-N 1 2 300.406 2.914 20 30 DFEDLO O=C(NC[C@@H](CO)CC1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328785905 334756970 /nfs/dbraw/zinc/75/69/70/334756970.db2.gz KPRZFCKUOGWCAV-LSDHHAIUSA-N 1 2 305.422 2.591 20 30 DFEDLO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331190753 334844874 /nfs/dbraw/zinc/84/48/74/334844874.db2.gz LBYOTMPKMKJHRH-XPCVCDNBSA-N 1 2 308.426 2.578 20 30 DFEDLO Cc1[nH]c(C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000331310110 334852939 /nfs/dbraw/zinc/85/29/39/334852939.db2.gz YQTFJYJFBYUHJZ-SKDRFNHKSA-N 1 2 305.300 2.506 20 30 DFEDLO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331305728 334856178 /nfs/dbraw/zinc/85/61/78/334856178.db2.gz WXPNOQUMYUPWDZ-MNOVXSKESA-N 1 2 318.343 2.980 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331360492 334858279 /nfs/dbraw/zinc/85/82/79/334858279.db2.gz XWRACEJZBAKQRK-MELADBBJSA-N 1 2 301.390 2.613 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1Cl ZINC000343622210 335182322 /nfs/dbraw/zinc/18/23/22/335182322.db2.gz NPWLGXPVWKYNMG-UKRRQHHQSA-N 1 2 320.820 2.615 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1Cl ZINC000343622210 335182324 /nfs/dbraw/zinc/18/23/24/335182324.db2.gz NPWLGXPVWKYNMG-UKRRQHHQSA-N 1 2 320.820 2.615 20 30 DFEDLO CC(C)[C@H](C#N)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000344294692 335237541 /nfs/dbraw/zinc/23/75/41/335237541.db2.gz TXXUSMGXQZEPET-HNNXBMFYSA-N 1 2 310.401 2.968 20 30 DFEDLO CO[C@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](CCCC(C)(C)C#N)C1 ZINC000344675016 335271090 /nfs/dbraw/zinc/27/10/90/335271090.db2.gz KCIYPNMBBWESLZ-KBPBESRZSA-N 1 2 317.437 2.774 20 30 DFEDLO CO[C@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000344675016 335271091 /nfs/dbraw/zinc/27/10/91/335271091.db2.gz KCIYPNMBBWESLZ-KBPBESRZSA-N 1 2 317.437 2.774 20 30 DFEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C2 ZINC000366886980 335295902 /nfs/dbraw/zinc/29/59/02/335295902.db2.gz PSGYXAMHEZRJLM-SJORKVTESA-N 1 2 322.412 2.710 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000345787911 335351194 /nfs/dbraw/zinc/35/11/94/335351194.db2.gz OFVFUXDWODOFAZ-SNVBAGLBSA-N 1 2 311.838 2.784 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000345787911 335351196 /nfs/dbraw/zinc/35/11/96/335351196.db2.gz OFVFUXDWODOFAZ-SNVBAGLBSA-N 1 2 311.838 2.784 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000345798272 335351822 /nfs/dbraw/zinc/35/18/22/335351822.db2.gz MQVBBXXNEGTGAO-BBRMVZONSA-N 1 2 310.357 2.757 20 30 DFEDLO C#CC[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000366925674 335368964 /nfs/dbraw/zinc/36/89/64/335368964.db2.gz WWZPHVHUMJCMGE-QGZVFWFLSA-N 1 2 324.449 2.987 20 30 DFEDLO C#CC[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000366925674 335368965 /nfs/dbraw/zinc/36/89/65/335368965.db2.gz WWZPHVHUMJCMGE-QGZVFWFLSA-N 1 2 324.449 2.987 20 30 DFEDLO C=CCCCN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582190629 335750599 /nfs/dbraw/zinc/75/05/99/335750599.db2.gz YVUNXTJEBBYLHR-NSHDSACASA-N 1 2 303.328 2.881 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@@H]1CCOC1)C1CCOCC1 ZINC000329056471 335935878 /nfs/dbraw/zinc/93/58/78/335935878.db2.gz MIUUQQQZIZDABO-CZUORRHYSA-N 1 2 321.421 2.661 20 30 DFEDLO CC1(C)C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000329268864 335957846 /nfs/dbraw/zinc/95/78/46/335957846.db2.gz GSNCQLWZCLZKCB-OLZOCXBDSA-N 1 2 320.437 2.849 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)COCC1CC1)C2 ZINC000329381255 335969851 /nfs/dbraw/zinc/96/98/51/335969851.db2.gz NWXNUXOMTZCDKW-CYBMUJFWSA-N 1 2 305.422 2.879 20 30 DFEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCC1(F)F ZINC000329598377 336000069 /nfs/dbraw/zinc/00/00/69/336000069.db2.gz JJEBIUFHSJJTHQ-VXGBXAGGSA-N 1 2 312.364 2.652 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](c2ccccc2)C1 ZINC000329622188 336014853 /nfs/dbraw/zinc/01/48/53/336014853.db2.gz RSFAVJNYNYNKLA-HUUCEWRRSA-N 1 2 310.401 2.671 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](c2ccccc2)C1 ZINC000329622188 336014855 /nfs/dbraw/zinc/01/48/55/336014855.db2.gz RSFAVJNYNYNKLA-HUUCEWRRSA-N 1 2 310.401 2.671 20 30 DFEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000351267433 336024875 /nfs/dbraw/zinc/02/48/75/336024875.db2.gz HADXGYTZPOATAR-MRXNPFEDSA-N 1 2 314.433 2.548 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCCS1 ZINC000329656281 336029074 /nfs/dbraw/zinc/02/90/74/336029074.db2.gz MNTRCLPAKKLFAB-ZDUSSCGKSA-N 1 2 308.451 2.509 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000192352013 336029743 /nfs/dbraw/zinc/02/97/43/336029743.db2.gz MBBKAWLKEVVPDF-HUUCEWRRSA-N 1 2 304.438 2.985 20 30 DFEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192352013 336029745 /nfs/dbraw/zinc/02/97/45/336029745.db2.gz MBBKAWLKEVVPDF-HUUCEWRRSA-N 1 2 304.438 2.985 20 30 DFEDLO C=C(C)CN(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000351541415 336041638 /nfs/dbraw/zinc/04/16/38/336041638.db2.gz ZAXKPJSDSSVXCH-UHFFFAOYSA-N 1 2 303.431 2.910 20 30 DFEDLO N#CCc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329709224 336061711 /nfs/dbraw/zinc/06/17/11/336061711.db2.gz LLIBKZIYGYYPBO-JKSUJKDBSA-N 1 2 324.384 2.728 20 30 DFEDLO N#CCc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329709224 336061712 /nfs/dbraw/zinc/06/17/12/336061712.db2.gz LLIBKZIYGYYPBO-JKSUJKDBSA-N 1 2 324.384 2.728 20 30 DFEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)ccc2[nH+]1 ZINC000329724920 336070792 /nfs/dbraw/zinc/07/07/92/336070792.db2.gz GBWKFCSPMPGWJD-UKRRQHHQSA-N 1 2 314.389 2.926 20 30 DFEDLO O=C(C[C@@H]1CCOC1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329772795 336080259 /nfs/dbraw/zinc/08/02/59/336080259.db2.gz HRBDKUCBPVXIFF-AWEZNQCLSA-N 1 2 303.406 2.955 20 30 DFEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329784522 336081306 /nfs/dbraw/zinc/08/13/06/336081306.db2.gz WCMQWEJRCYNWOZ-VBHSOAQHSA-N 1 2 319.368 2.533 20 30 DFEDLO C[C@H](c1cnccn1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329784522 336081308 /nfs/dbraw/zinc/08/13/08/336081308.db2.gz WCMQWEJRCYNWOZ-VBHSOAQHSA-N 1 2 319.368 2.533 20 30 DFEDLO O=C(N[C@H]1CCSc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329845811 336088830 /nfs/dbraw/zinc/08/88/30/336088830.db2.gz ORUNSIUKBIROED-ZDUSSCGKSA-N 1 2 314.414 2.850 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccon1)C2 ZINC000329862159 336090174 /nfs/dbraw/zinc/09/01/74/336090174.db2.gz QWZOHHJGWKOYQS-GFCCVEGCSA-N 1 2 302.378 2.683 20 30 DFEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]c1nc2c(s1)CCCC2 ZINC000329863375 336090263 /nfs/dbraw/zinc/09/02/63/336090263.db2.gz ZCEHAUYLBNODLN-VIFPVBQESA-N 1 2 317.418 2.628 20 30 DFEDLO [O-]C(N[C@H]1CCc2[nH+]c[nH]c2C1)=[NH+]c1nc2c(s1)CCCC2 ZINC000329863375 336090264 /nfs/dbraw/zinc/09/02/64/336090264.db2.gz ZCEHAUYLBNODLN-VIFPVBQESA-N 1 2 317.418 2.628 20 30 DFEDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)C[NH+]1CCOCC1 ZINC000329911848 336094550 /nfs/dbraw/zinc/09/45/50/336094550.db2.gz AWDNEJAYTPLGGP-ILXRZTDVSA-N 1 2 324.465 2.553 20 30 DFEDLO CC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC1 ZINC000329938067 336097238 /nfs/dbraw/zinc/09/72/38/336097238.db2.gz ACQXWTPPNPDSIE-UHFFFAOYSA-N 1 2 300.362 2.788 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCc2ccccc2C1 ZINC000329987338 336102840 /nfs/dbraw/zinc/10/28/40/336102840.db2.gz GAYYHWBTTDVZBC-INIZCTEOSA-N 1 2 310.401 2.560 20 30 DFEDLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329989595 336103100 /nfs/dbraw/zinc/10/31/00/336103100.db2.gz VJLJCCVWVLDAEQ-IHWZXDPASA-N 1 2 319.449 2.962 20 30 DFEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329989595 336103102 /nfs/dbraw/zinc/10/31/02/336103102.db2.gz VJLJCCVWVLDAEQ-IHWZXDPASA-N 1 2 319.449 2.962 20 30 DFEDLO C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000330012731 336105722 /nfs/dbraw/zinc/10/57/22/336105722.db2.gz LAYVZJJVSQUAGG-CXAGYDPISA-N 1 2 307.438 2.887 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ccccc1 ZINC000330182734 336121643 /nfs/dbraw/zinc/12/16/43/336121643.db2.gz HMMOMZUEXZWXFZ-CVEARBPZSA-N 1 2 310.401 2.949 20 30 DFEDLO CC1(C)CCC(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330189559 336122346 /nfs/dbraw/zinc/12/23/46/336122346.db2.gz LWEVXEXGYJPWRD-CQSZACIVSA-N 1 2 304.438 2.918 20 30 DFEDLO CC1(C)CCC(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330189559 336122347 /nfs/dbraw/zinc/12/23/47/336122347.db2.gz LWEVXEXGYJPWRD-CQSZACIVSA-N 1 2 304.438 2.918 20 30 DFEDLO C[C@@H]1C[C@H](c2ccccc2)CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196139 336123232 /nfs/dbraw/zinc/12/32/32/336123232.db2.gz PTRAVISFLZTILE-HYVNUMGLSA-N 1 2 324.428 2.990 20 30 DFEDLO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330196139 336123233 /nfs/dbraw/zinc/12/32/33/336123233.db2.gz PTRAVISFLZTILE-HYVNUMGLSA-N 1 2 324.428 2.990 20 30 DFEDLO CCC1CCC(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330199583 336123516 /nfs/dbraw/zinc/12/35/16/336123516.db2.gz VPRRMWHIRKRFGD-NRXISQOPSA-N 1 2 304.438 2.918 20 30 DFEDLO CCC1CCC(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330199583 336123517 /nfs/dbraw/zinc/12/35/17/336123517.db2.gz VPRRMWHIRKRFGD-NRXISQOPSA-N 1 2 304.438 2.918 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330245525 336129165 /nfs/dbraw/zinc/12/91/65/336129165.db2.gz XTNFDRZEVYTLDL-LUYZLQTOSA-N 1 2 319.405 2.578 20 30 DFEDLO Cc1csc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000330246168 336129506 /nfs/dbraw/zinc/12/95/06/336129506.db2.gz LCSNYCPEDVSOBT-ZDUSSCGKSA-N 1 2 309.435 2.788 20 30 DFEDLO Cc1csc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000330246168 336129508 /nfs/dbraw/zinc/12/95/08/336129508.db2.gz LCSNYCPEDVSOBT-ZDUSSCGKSA-N 1 2 309.435 2.788 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC3(C1)CCCC3)CCC2 ZINC000330268654 336131666 /nfs/dbraw/zinc/13/16/66/336131666.db2.gz IUOKNUJHKSBUSC-AWEZNQCLSA-N 1 2 302.422 2.859 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000331380430 336134230 /nfs/dbraw/zinc/13/42/30/336134230.db2.gz AQWSOPFGONORMH-AWEZNQCLSA-N 1 2 324.446 2.605 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000331380430 336134232 /nfs/dbraw/zinc/13/42/32/336134232.db2.gz AQWSOPFGONORMH-AWEZNQCLSA-N 1 2 324.446 2.605 20 30 DFEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCSC1 ZINC000330294005 336136355 /nfs/dbraw/zinc/13/63/55/336136355.db2.gz IEZZJVFAIMZFIA-GFCCVEGCSA-N 1 2 307.419 2.568 20 30 DFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000331659730 336143690 /nfs/dbraw/zinc/14/36/90/336143690.db2.gz VYQUDKWUTWWUSP-AWEZNQCLSA-N 1 2 302.422 2.977 20 30 DFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000331659730 336143692 /nfs/dbraw/zinc/14/36/92/336143692.db2.gz VYQUDKWUTWWUSP-AWEZNQCLSA-N 1 2 302.422 2.977 20 30 DFEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1csc([C@H]2CCCO2)n1 ZINC000330303353 336145887 /nfs/dbraw/zinc/14/58/87/336145887.db2.gz JWVZACCOWALHCP-ZYHUDNBSSA-N 1 2 318.402 2.511 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N1CCSc2ccccc21 ZINC000331823147 336149988 /nfs/dbraw/zinc/14/99/88/336149988.db2.gz YOKJIQPZGRYOHS-BFHYXJOUSA-N 1 2 315.442 2.796 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000331835197 336150126 /nfs/dbraw/zinc/15/01/26/336150126.db2.gz AQPIMKAQDPLLTH-UHFFFAOYSA-N 1 2 308.385 2.947 20 30 DFEDLO C=CCNC(=O)C[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000351960643 336183388 /nfs/dbraw/zinc/18/33/88/336183388.db2.gz VQXNNIPASLRWRU-NSHDSACASA-N 1 2 323.234 2.670 20 30 DFEDLO C=CCNC(=O)C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000351960643 336183390 /nfs/dbraw/zinc/18/33/90/336183390.db2.gz VQXNNIPASLRWRU-NSHDSACASA-N 1 2 323.234 2.670 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000351990211 336186385 /nfs/dbraw/zinc/18/63/85/336186385.db2.gz ZEHVFBGPZUYQPQ-CABCVRRESA-N 1 2 323.412 2.710 20 30 DFEDLO C=CCCCC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000351990211 336186386 /nfs/dbraw/zinc/18/63/86/336186386.db2.gz ZEHVFBGPZUYQPQ-CABCVRRESA-N 1 2 323.412 2.710 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000333560108 336205494 /nfs/dbraw/zinc/20/54/94/336205494.db2.gz GXDYQINVNGYJOR-MAZHCROVSA-N 1 2 301.365 2.603 20 30 DFEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458715 336220532 /nfs/dbraw/zinc/22/05/32/336220532.db2.gz OCMWZQCPYKURKC-CQSZACIVSA-N 1 2 303.381 2.534 20 30 DFEDLO CCN(C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352466763 336220663 /nfs/dbraw/zinc/22/06/63/336220663.db2.gz FNCDKXQSERTXQO-AWEZNQCLSA-N 1 2 303.381 2.756 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000352575923 336225391 /nfs/dbraw/zinc/22/53/91/336225391.db2.gz DNTGVQVAKMJKSY-KSSFIOAISA-N 1 2 317.408 2.971 20 30 DFEDLO C=CCCCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000352589021 336225842 /nfs/dbraw/zinc/22/58/42/336225842.db2.gz PYVCFXQOVVCXDR-UHFFFAOYSA-N 1 2 318.421 2.704 20 30 DFEDLO C=CC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccccc1F ZINC000352654291 336229068 /nfs/dbraw/zinc/22/90/68/336229068.db2.gz JLETULSPHNCLLA-UHFFFAOYSA-N 1 2 303.381 2.857 20 30 DFEDLO C=CC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1F ZINC000352654291 336229069 /nfs/dbraw/zinc/22/90/69/336229069.db2.gz JLETULSPHNCLLA-UHFFFAOYSA-N 1 2 303.381 2.857 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(CC(F)(F)F)no1 ZINC000352702112 336231345 /nfs/dbraw/zinc/23/13/45/336231345.db2.gz RFZGEFZSQOXEFD-UHFFFAOYSA-N 1 2 315.295 2.998 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(CC(F)(F)F)no1 ZINC000352702112 336231346 /nfs/dbraw/zinc/23/13/46/336231346.db2.gz RFZGEFZSQOXEFD-UHFFFAOYSA-N 1 2 315.295 2.998 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(C)(C)CC ZINC000352801650 336239284 /nfs/dbraw/zinc/23/92/84/336239284.db2.gz SYKLTGPYJBLUKV-CQSZACIVSA-N 1 2 322.449 2.843 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(C)(C)CC ZINC000352801650 336239285 /nfs/dbraw/zinc/23/92/85/336239285.db2.gz SYKLTGPYJBLUKV-CQSZACIVSA-N 1 2 322.449 2.843 20 30 DFEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000526295950 336243106 /nfs/dbraw/zinc/24/31/06/336243106.db2.gz DOFKWFRWYJYHFI-GFCCVEGCSA-N 1 2 320.462 2.569 20 30 DFEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000526295950 336243107 /nfs/dbraw/zinc/24/31/07/336243107.db2.gz DOFKWFRWYJYHFI-GFCCVEGCSA-N 1 2 320.462 2.569 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(CO)o1 ZINC000352813312 336246649 /nfs/dbraw/zinc/24/66/49/336246649.db2.gz CJHHCTQEHPHCDP-UHFFFAOYSA-N 1 2 320.433 2.553 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(CO)o1 ZINC000352813312 336246650 /nfs/dbraw/zinc/24/66/50/336246650.db2.gz CJHHCTQEHPHCDP-UHFFFAOYSA-N 1 2 320.433 2.553 20 30 DFEDLO CN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C1(C#N)CCC1 ZINC000104319794 336248848 /nfs/dbraw/zinc/24/88/48/336248848.db2.gz KBRGDEIMOKMKOV-VMPITWQZSA-N 1 2 306.369 2.790 20 30 DFEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302164581 336351789 /nfs/dbraw/zinc/35/17/89/336351789.db2.gz ZNGNSNXLHJJKPQ-CYBMUJFWSA-N 1 2 314.345 2.709 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)C1=O ZINC000352901860 336375453 /nfs/dbraw/zinc/37/54/53/336375453.db2.gz LJVYROGHCRBWOW-QGZVFWFLSA-N 1 2 316.449 2.629 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)C1=O ZINC000352901860 336375454 /nfs/dbraw/zinc/37/54/54/336375454.db2.gz LJVYROGHCRBWOW-QGZVFWFLSA-N 1 2 316.449 2.629 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)NCC(C)C)Cc1cnn(C(C)C)c1 ZINC000352905428 336375754 /nfs/dbraw/zinc/37/57/54/336375754.db2.gz XUIMXLPLJOPOKX-UHFFFAOYSA-N 1 2 306.454 2.614 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)NCC(C)C)Cc1cnn(C(C)C)c1 ZINC000352905428 336375755 /nfs/dbraw/zinc/37/57/55/336375755.db2.gz XUIMXLPLJOPOKX-UHFFFAOYSA-N 1 2 306.454 2.614 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000353015386 336382047 /nfs/dbraw/zinc/38/20/47/336382047.db2.gz UTBABAVTTNMFTH-HLLBOEOZSA-N 1 2 305.422 2.521 20 30 DFEDLO C=CCCC1(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000356103023 336535685 /nfs/dbraw/zinc/53/56/85/336535685.db2.gz TXGOCNIKOGPSDD-DZGCQCFKSA-N 1 2 303.406 2.503 20 30 DFEDLO C=CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000357572136 336591058 /nfs/dbraw/zinc/59/10/58/336591058.db2.gz QCRDJKSCLXUQFG-UHFFFAOYSA-N 1 2 304.781 2.848 20 30 DFEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000367348714 336676682 /nfs/dbraw/zinc/67/66/82/336676682.db2.gz PGJQRCICDUPORK-IAGOWNOFSA-N 1 2 307.397 2.511 20 30 DFEDLO C=CC[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000117051921 336851485 /nfs/dbraw/zinc/85/14/85/336851485.db2.gz MJPCHYRKCMQLQZ-FZMZJTMJSA-N 1 2 311.376 2.831 20 30 DFEDLO COc1ncccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369207194 336860584 /nfs/dbraw/zinc/86/05/84/336860584.db2.gz OTOCALJESJBCTJ-UHFFFAOYSA-N 1 2 308.385 2.543 20 30 DFEDLO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119359986 336886268 /nfs/dbraw/zinc/88/62/68/336886268.db2.gz JEOCHIFKWKCVJM-HNNXBMFYSA-N 1 2 302.422 2.624 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(CC#N)cc1)CCC2 ZINC000371143391 336895314 /nfs/dbraw/zinc/89/53/14/336895314.db2.gz BLCQPHVNPCICFE-INIZCTEOSA-N 1 2 308.385 2.565 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375634915 337015310 /nfs/dbraw/zinc/01/53/10/337015310.db2.gz MSHAQHYMKTYWMY-HUUCEWRRSA-N 1 2 302.422 2.704 20 30 DFEDLO C#CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000375803502 337019980 /nfs/dbraw/zinc/01/99/80/337019980.db2.gz CSEXEZYAAGLMKP-UHFFFAOYSA-N 1 2 306.369 2.711 20 30 DFEDLO C#CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000375803502 337019981 /nfs/dbraw/zinc/01/99/81/337019981.db2.gz CSEXEZYAAGLMKP-UHFFFAOYSA-N 1 2 306.369 2.711 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(C#N)CCCCC1 ZINC000375948731 337024062 /nfs/dbraw/zinc/02/40/62/337024062.db2.gz SSFPMKWTZZGGAH-UHFFFAOYSA-N 1 2 300.406 2.652 20 30 DFEDLO CC[C@@H](C#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376162835 337028599 /nfs/dbraw/zinc/02/85/99/337028599.db2.gz PAWFVLUHFFHJFD-GJZGRUSLSA-N 1 2 308.385 2.531 20 30 DFEDLO C#CCOc1ccccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376335055 337031665 /nfs/dbraw/zinc/03/16/65/337031665.db2.gz RICWWASZPPSYEY-UHFFFAOYSA-N 1 2 324.384 2.833 20 30 DFEDLO C#CCOc1ccccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376335055 337031666 /nfs/dbraw/zinc/03/16/66/337031666.db2.gz RICWWASZPPSYEY-UHFFFAOYSA-N 1 2 324.384 2.833 20 30 DFEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376615221 337038203 /nfs/dbraw/zinc/03/82/03/337038203.db2.gz NSCWQXHIZKFFRK-ZBFHGGJFSA-N 1 2 322.412 2.731 20 30 DFEDLO C=C(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000376634053 337038623 /nfs/dbraw/zinc/03/86/23/337038623.db2.gz XWVHLHJIDFKCAT-UHFFFAOYSA-N 1 2 324.428 2.775 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000376812084 337041815 /nfs/dbraw/zinc/04/18/15/337041815.db2.gz UXMHBUYLXCPHIO-AWEZNQCLSA-N 1 2 313.401 2.685 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)cc2)CC1 ZINC000378521013 337075076 /nfs/dbraw/zinc/07/50/76/337075076.db2.gz OTRYMZSMCOCAPK-OAHLLOKOSA-N 1 2 306.369 2.942 20 30 DFEDLO Cc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1Oc1cc[nH+]cc1 ZINC000175888673 337148816 /nfs/dbraw/zinc/14/88/16/337148816.db2.gz UHJZHZXFBUPMHW-OAHLLOKOSA-N 1 2 323.352 2.547 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000180454060 337174687 /nfs/dbraw/zinc/17/46/87/337174687.db2.gz XFXNXXKNJNHLKS-CQSZACIVSA-N 1 2 313.405 2.811 20 30 DFEDLO Cc1nn(C)c(C[NH+]2CCC(C)(C#N)CC2)c1Br ZINC000226319170 337197051 /nfs/dbraw/zinc/19/70/51/337197051.db2.gz AAMYPYAJTNSAMR-UHFFFAOYSA-N 1 2 311.227 2.617 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000582918691 337217770 /nfs/dbraw/zinc/21/77/70/337217770.db2.gz IPQNAEFYCLJRHM-SFHVURJKSA-N 1 2 304.409 2.982 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000582918691 337217771 /nfs/dbraw/zinc/21/77/71/337217771.db2.gz IPQNAEFYCLJRHM-SFHVURJKSA-N 1 2 304.409 2.982 20 30 DFEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1C(C)C)c1ccc(F)c(F)c1 ZINC000187782917 337268162 /nfs/dbraw/zinc/26/81/62/337268162.db2.gz OTYCMIJJZGIRPC-HNNXBMFYSA-N 1 2 307.348 2.939 20 30 DFEDLO CCc1nnc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)[nH]1 ZINC000190668639 337289480 /nfs/dbraw/zinc/28/94/80/337289480.db2.gz PHFRCSYHQVNDAK-UHFFFAOYSA-N 1 2 312.392 2.737 20 30 DFEDLO CCc1n[nH]c(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000190668639 337289481 /nfs/dbraw/zinc/28/94/81/337289481.db2.gz PHFRCSYHQVNDAK-UHFFFAOYSA-N 1 2 312.392 2.737 20 30 DFEDLO CCc1nc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000190668639 337289482 /nfs/dbraw/zinc/28/94/82/337289482.db2.gz PHFRCSYHQVNDAK-UHFFFAOYSA-N 1 2 312.392 2.737 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191128182 337294289 /nfs/dbraw/zinc/29/42/89/337294289.db2.gz VCEXWKYWDITDLC-CQSZACIVSA-N 1 2 301.390 2.856 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191128182 337294290 /nfs/dbraw/zinc/29/42/90/337294290.db2.gz VCEXWKYWDITDLC-CQSZACIVSA-N 1 2 301.390 2.856 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000191146260 337294474 /nfs/dbraw/zinc/29/44/74/337294474.db2.gz RWPYOKOUNXDIOR-UHFFFAOYSA-N 1 2 306.797 2.555 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000191146260 337294475 /nfs/dbraw/zinc/29/44/75/337294475.db2.gz RWPYOKOUNXDIOR-UHFFFAOYSA-N 1 2 306.797 2.555 20 30 DFEDLO C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000192104168 337303017 /nfs/dbraw/zinc/30/30/17/337303017.db2.gz DIVYUYGIMBWMKU-IBGZPJMESA-N 1 2 304.393 2.775 20 30 DFEDLO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000192104168 337303018 /nfs/dbraw/zinc/30/30/18/337303018.db2.gz DIVYUYGIMBWMKU-IBGZPJMESA-N 1 2 304.393 2.775 20 30 DFEDLO N#CCSCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000036833006 337395057 /nfs/dbraw/zinc/39/50/57/337395057.db2.gz CLWIILXKSGDULO-UHFFFAOYSA-N 1 2 314.414 2.958 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000119780865 337395061 /nfs/dbraw/zinc/39/50/61/337395061.db2.gz NXHQOXJRRAGMOM-LJQANCHMSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000119780865 337395062 /nfs/dbraw/zinc/39/50/62/337395062.db2.gz NXHQOXJRRAGMOM-LJQANCHMSA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120428688 337395909 /nfs/dbraw/zinc/39/59/09/337395909.db2.gz BDFWWNXIGWCPQU-HNNXBMFYSA-N 1 2 301.434 2.970 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000424825401 337431763 /nfs/dbraw/zinc/43/17/63/337431763.db2.gz DLUYUPWDCFHOSY-SFHVURJKSA-N 1 2 324.465 2.511 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057876359 337458199 /nfs/dbraw/zinc/45/81/99/337458199.db2.gz VNIGJMWPTVFCOG-AWEZNQCLSA-N 1 2 317.458 2.887 20 30 DFEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000424172239 337792503 /nfs/dbraw/zinc/79/25/03/337792503.db2.gz DCJZEXHDHYJXOP-SNVBAGLBSA-N 1 2 302.161 2.659 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000424538986 337854978 /nfs/dbraw/zinc/85/49/78/337854978.db2.gz YWDWJUPTIIRLBT-CVEARBPZSA-N 1 2 319.449 2.665 20 30 DFEDLO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000514941291 337974676 /nfs/dbraw/zinc/97/46/76/337974676.db2.gz BSHFCFUYEBUSIF-LNLFQRSKSA-N 1 2 313.445 2.874 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000516310803 338009432 /nfs/dbraw/zinc/00/94/32/338009432.db2.gz NXYJKYPVTRZHCX-ZFWWWQNUSA-N 1 2 303.381 2.911 20 30 DFEDLO N#CCCN(CC1CC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431848186 338140044 /nfs/dbraw/zinc/14/00/44/338140044.db2.gz YDYKPHXSJPZHMP-UHFFFAOYSA-N 1 2 322.412 2.626 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000432148981 338147268 /nfs/dbraw/zinc/14/72/68/338147268.db2.gz QQJFPFAHKYZFBB-AWEZNQCLSA-N 1 2 304.438 2.842 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000432148981 338147269 /nfs/dbraw/zinc/14/72/69/338147269.db2.gz QQJFPFAHKYZFBB-AWEZNQCLSA-N 1 2 304.438 2.842 20 30 DFEDLO CC(C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433292299 338189775 /nfs/dbraw/zinc/18/97/75/338189775.db2.gz ZIKGVOUFSWIXJW-QGZVFWFLSA-N 1 2 301.434 2.981 20 30 DFEDLO CC(C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433292299 338189776 /nfs/dbraw/zinc/18/97/76/338189776.db2.gz ZIKGVOUFSWIXJW-QGZVFWFLSA-N 1 2 301.434 2.981 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(C)(C)C#N ZINC000433305801 338190830 /nfs/dbraw/zinc/19/08/30/338190830.db2.gz QGOJIEFHTDLILU-IWUURBKTSA-N 1 2 317.477 2.941 20 30 DFEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(C)(C)C#N ZINC000433305801 338190831 /nfs/dbraw/zinc/19/08/31/338190831.db2.gz QGOJIEFHTDLILU-IWUURBKTSA-N 1 2 317.477 2.941 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000435600702 338243291 /nfs/dbraw/zinc/24/32/91/338243291.db2.gz FKFGQPOUTFZHBW-SJORKVTESA-N 1 2 324.428 2.970 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)nc1 ZINC000155277542 338260921 /nfs/dbraw/zinc/26/09/21/338260921.db2.gz PRFRZWOBASJXGQ-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000448584414 338300740 /nfs/dbraw/zinc/30/07/40/338300740.db2.gz YHFURHQABRVOKM-CXAGYDPISA-N 1 2 317.820 2.534 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000448587693 338308286 /nfs/dbraw/zinc/30/82/86/338308286.db2.gz NSPXAMNOLAOQQD-CXAGYDPISA-N 1 2 317.820 2.534 20 30 DFEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000437528590 338312810 /nfs/dbraw/zinc/31/28/10/338312810.db2.gz YBCGOUBALMCZDY-NVXWUHKLSA-N 1 2 311.385 2.583 20 30 DFEDLO N#CC1CCC(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000441134655 338402831 /nfs/dbraw/zinc/40/28/31/338402831.db2.gz KKZXFPJBLDTZOI-UHFFFAOYSA-N 1 2 322.412 2.991 20 30 DFEDLO COc1cccc(C2([NH2+]CC3(C#N)CC3)CCOCC2)c1F ZINC000447360971 338550550 /nfs/dbraw/zinc/55/05/50/338550550.db2.gz VGPLKAYTWUKDFM-UHFFFAOYSA-N 1 2 304.365 2.733 20 30 DFEDLO C[C@@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449314577 338611986 /nfs/dbraw/zinc/61/19/86/338611986.db2.gz DJBYBZQYYNLOLN-ZDUSSCGKSA-N 1 2 324.421 2.521 20 30 DFEDLO C=CCC[C@@H](NCc1c(C)[nH+]c2ccccn21)C(=O)OCC ZINC000449660214 338644681 /nfs/dbraw/zinc/64/46/81/338644681.db2.gz XLIPDSAUNWBGFA-CQSZACIVSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CCC[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC000449660433 338644859 /nfs/dbraw/zinc/64/48/59/338644859.db2.gz XUBDPOVDPFDYTL-KRWDZBQOSA-N 1 2 313.401 2.860 20 30 DFEDLO C=CCC1(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000450866853 338709390 /nfs/dbraw/zinc/70/93/90/338709390.db2.gz KUNZHDUUVGZXSQ-HNNXBMFYSA-N 1 2 316.449 2.751 20 30 DFEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459094172 339013444 /nfs/dbraw/zinc/01/34/44/339013444.db2.gz CSTOPIVCZNQXJX-HIFRSBDPSA-N 1 2 314.389 2.922 20 30 DFEDLO C=C(C)C[N@@H+](Cc1nc(C(=O)OCC)no1)Cc1ccccc1 ZINC000459443671 339029602 /nfs/dbraw/zinc/02/96/02/339029602.db2.gz QPYGAEFKAYJEFQ-UHFFFAOYSA-N 1 2 315.373 2.825 20 30 DFEDLO C=C(C)C[N@H+](Cc1nc(C(=O)OCC)no1)Cc1ccccc1 ZINC000459443671 339029603 /nfs/dbraw/zinc/02/96/03/339029603.db2.gz QPYGAEFKAYJEFQ-UHFFFAOYSA-N 1 2 315.373 2.825 20 30 DFEDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(OC)cc1 ZINC000459463328 339030600 /nfs/dbraw/zinc/03/06/00/339030600.db2.gz KZFJCORGTRJJMR-UHOFOFEASA-N 1 2 301.390 2.694 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000459466304 339030706 /nfs/dbraw/zinc/03/07/06/339030706.db2.gz OGRWASJZNJKWQN-MFKMUULPSA-N 1 2 309.316 2.508 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000459466294 339030796 /nfs/dbraw/zinc/03/07/96/339030796.db2.gz OGRWASJZNJKWQN-GWCFXTLKSA-N 1 2 309.316 2.508 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000459474024 339031326 /nfs/dbraw/zinc/03/13/26/339031326.db2.gz YJVUADMXNQDSHI-WDEREUQCSA-N 1 2 316.386 2.623 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCCN(CCC)C(=O)C1 ZINC000471808636 339354771 /nfs/dbraw/zinc/35/47/71/339354771.db2.gz FOUPPJMJAFEJCI-UHFFFAOYSA-N 1 2 302.418 2.696 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000471808636 339354772 /nfs/dbraw/zinc/35/47/72/339354772.db2.gz FOUPPJMJAFEJCI-UHFFFAOYSA-N 1 2 302.418 2.696 20 30 DFEDLO C=C(CNC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC000479288493 339530595 /nfs/dbraw/zinc/53/05/95/339530595.db2.gz QGMVFCGWEATBDX-UHFFFAOYSA-N 1 2 310.401 2.660 20 30 DFEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000491125711 339849933 /nfs/dbraw/zinc/84/99/33/339849933.db2.gz GSVWANGTMRJXNC-ZDUSSCGKSA-N 1 2 305.740 2.626 20 30 DFEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1cn2cc(C)ccc2[nH+]1 ZINC000491209190 339853555 /nfs/dbraw/zinc/85/35/55/339853555.db2.gz CUHUCZVSGHQEAF-SFHVURJKSA-N 1 2 316.364 2.842 20 30 DFEDLO C=CCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000505727279 340175783 /nfs/dbraw/zinc/17/57/83/340175783.db2.gz PSJSMFCGJSGFLH-UHFFFAOYSA-N 1 2 307.825 2.662 20 30 DFEDLO C[C@H](NC(=O)NCCCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000176387823 340427160 /nfs/dbraw/zinc/42/71/60/340427160.db2.gz DITYPBQEVPCWLA-AWEZNQCLSA-N 1 2 311.389 2.926 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(CC#N)ccn1 ZINC000546164987 341155381 /nfs/dbraw/zinc/15/53/81/341155381.db2.gz OQEMORRKBQIJSP-UHFFFAOYSA-N 1 2 319.368 2.698 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000547443197 341214089 /nfs/dbraw/zinc/21/40/89/341214089.db2.gz XUGPTTRMTPGBBQ-KRWDZBQOSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000547443197 341214090 /nfs/dbraw/zinc/21/40/90/341214090.db2.gz XUGPTTRMTPGBBQ-KRWDZBQOSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000547652683 341225237 /nfs/dbraw/zinc/22/52/37/341225237.db2.gz WLEJJHQKUGCOLF-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000547652683 341225238 /nfs/dbraw/zinc/22/52/38/341225238.db2.gz WLEJJHQKUGCOLF-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO COC(=O)[C@@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135250872 341234397 /nfs/dbraw/zinc/23/43/97/341234397.db2.gz OEZJRAXHIGUIHQ-SFHVURJKSA-N 1 2 300.402 2.919 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000549770985 341302681 /nfs/dbraw/zinc/30/26/81/341302681.db2.gz KFRZFEJYAJXRAM-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000549770985 341302682 /nfs/dbraw/zinc/30/26/82/341302682.db2.gz KFRZFEJYAJXRAM-QGZVFWFLSA-N 1 2 318.848 2.928 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246633665 341354837 /nfs/dbraw/zinc/35/48/37/341354837.db2.gz WGBFTPNPFAQOEH-HUUCEWRRSA-N 1 2 320.437 2.761 20 30 DFEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246633665 341354838 /nfs/dbraw/zinc/35/48/38/341354838.db2.gz WGBFTPNPFAQOEH-HUUCEWRRSA-N 1 2 320.437 2.761 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553369013 341426881 /nfs/dbraw/zinc/42/68/81/341426881.db2.gz WVFIHPRLCSUTIR-OAHLLOKOSA-N 1 2 313.376 2.799 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000566429460 341557926 /nfs/dbraw/zinc/55/79/26/341557926.db2.gz VQYIBSSYERJPRG-LLVKDONJSA-N 1 2 302.403 2.825 20 30 DFEDLO CC(C)Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000567475622 341609006 /nfs/dbraw/zinc/60/90/06/341609006.db2.gz QWXRTEUAUBEVLK-INIZCTEOSA-N 1 2 323.824 2.701 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000568661341 341677997 /nfs/dbraw/zinc/67/79/97/341677997.db2.gz NGWKZMFYHUKQDL-UHFFFAOYSA-N 1 2 315.417 2.674 20 30 DFEDLO C=CCOc1ccc(CC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000574133810 341749656 /nfs/dbraw/zinc/74/96/56/341749656.db2.gz NBMJFYGUNJOMJK-CJNGLKHVSA-N 1 2 311.385 2.813 20 30 DFEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000171988799 341789533 /nfs/dbraw/zinc/78/95/33/341789533.db2.gz MXZRHCYDDISSBM-CQSZACIVSA-N 1 2 320.437 2.761 20 30 DFEDLO Cc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1Oc1cc[nH+]cc1 ZINC000115372922 518188399 /nfs/dbraw/zinc/18/83/99/518188399.db2.gz KPZOKHJAUQHQPV-MRXNPFEDSA-N 1 2 323.352 2.547 20 30 DFEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1O ZINC000268941207 518193238 /nfs/dbraw/zinc/19/32/38/518193238.db2.gz DYNLAEAJCJHNBH-DGURSJAUSA-N 1 2 308.381 2.593 20 30 DFEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000366403718 518195529 /nfs/dbraw/zinc/19/55/29/518195529.db2.gz KYKVAKNUDFTSEO-MSOLQXFVSA-N 1 2 322.412 2.651 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000358352447 534514483 /nfs/dbraw/zinc/51/44/83/534514483.db2.gz JCDMIHZCRDTJQJ-MRXNPFEDSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000358352447 534514485 /nfs/dbraw/zinc/51/44/85/534514485.db2.gz JCDMIHZCRDTJQJ-MRXNPFEDSA-N 1 2 317.408 2.824 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302694060 534690198 /nfs/dbraw/zinc/69/01/98/534690198.db2.gz DCEHQUPNHBJKSX-UHFFFAOYSA-N 1 2 322.328 2.632 20 30 DFEDLO C[C@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1cnn(C)c1 ZINC000364942748 525489296 /nfs/dbraw/zinc/48/92/96/525489296.db2.gz UDVXGKDANVOOHD-LBPRGKRZSA-N 1 2 307.357 2.798 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000682360396 545829042 /nfs/dbraw/zinc/82/90/42/545829042.db2.gz ZWOUMZHWENLJEW-SFHVURJKSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000682360396 545829049 /nfs/dbraw/zinc/82/90/49/545829049.db2.gz ZWOUMZHWENLJEW-SFHVURJKSA-N 1 2 319.449 2.928 20 30 DFEDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C#N ZINC000736823622 598680610 /nfs/dbraw/zinc/68/06/10/598680610.db2.gz YPHJVSCSBODMMJ-UHFFFAOYSA-N 1 2 322.347 2.509 20 30 DFEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1C#N ZINC000736823622 598680612 /nfs/dbraw/zinc/68/06/12/598680612.db2.gz YPHJVSCSBODMMJ-UHFFFAOYSA-N 1 2 322.347 2.509 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC000274715719 282080250 /nfs/dbraw/zinc/08/02/50/282080250.db2.gz WNSYEJUJGFEJSZ-HNNXBMFYSA-N 1 2 318.384 2.675 20 30 DFEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4cc(C#N)cnn4)C3)[nH+]c2c1 ZINC000596189645 398352234 /nfs/dbraw/zinc/35/22/34/398352234.db2.gz KVLTVSLMUNRTJZ-AWEZNQCLSA-N 1 2 318.384 2.917 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4c(C#N)cnn4C)C3)[nH+]c2c1 ZINC000596188840 398352536 /nfs/dbraw/zinc/35/25/36/398352536.db2.gz BQFHEWZKYUYGBR-CYBMUJFWSA-N 1 2 320.400 2.861 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000081513929 398354776 /nfs/dbraw/zinc/35/47/76/398354776.db2.gz KUGMXNGWAASIPM-GFCCVEGCSA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000081513929 398354778 /nfs/dbraw/zinc/35/47/78/398354778.db2.gz KUGMXNGWAASIPM-GFCCVEGCSA-N 1 2 317.216 2.969 20 30 DFEDLO N#Cc1cccc(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596238432 398364911 /nfs/dbraw/zinc/36/49/11/398364911.db2.gz ILWNYIYAEMSDLM-UHFFFAOYSA-N 1 2 324.331 2.855 20 30 DFEDLO Cc1cc[nH+]c(NC2CCN(CC#N)CC2)c1Br ZINC000235930306 398362049 /nfs/dbraw/zinc/36/20/49/398362049.db2.gz OQIFECVYQNGLNK-UHFFFAOYSA-N 1 2 309.211 2.552 20 30 DFEDLO CCc1ccc([C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566740060 398367965 /nfs/dbraw/zinc/36/79/65/398367965.db2.gz FMSQPPVDGZLHCY-KSSFIOAISA-N 1 2 301.434 2.703 20 30 DFEDLO N#CCc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000592040665 398376084 /nfs/dbraw/zinc/37/60/84/398376084.db2.gz XGKBPPQLCQOEPO-MRXNPFEDSA-N 1 2 323.400 2.913 20 30 DFEDLO C=CCCCCCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579371706 398380579 /nfs/dbraw/zinc/38/05/79/398380579.db2.gz VMTHTDBGZSBYLE-OAHLLOKOSA-N 1 2 319.453 2.544 20 30 DFEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000579197144 398378555 /nfs/dbraw/zinc/37/85/55/398378555.db2.gz KMSMAZLZJISXFR-OWCLPIDISA-N 1 2 311.385 2.549 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011473331 398382687 /nfs/dbraw/zinc/38/26/87/398382687.db2.gz LFWGBYJHUMZAEM-PBHICJAKSA-N 1 2 317.458 2.866 20 30 DFEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011473331 398382689 /nfs/dbraw/zinc/38/26/89/398382689.db2.gz LFWGBYJHUMZAEM-PBHICJAKSA-N 1 2 317.458 2.866 20 30 DFEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccncc1C#N ZINC000592104920 398384353 /nfs/dbraw/zinc/38/43/53/398384353.db2.gz AWWNLGCCWGTUBJ-UHFFFAOYSA-N 1 2 305.385 2.865 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171548 398388110 /nfs/dbraw/zinc/38/81/10/398388110.db2.gz QOKIMZKLXWAANS-KBXCAEBGSA-N 1 2 322.412 2.678 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171548 398388112 /nfs/dbraw/zinc/38/81/12/398388112.db2.gz QOKIMZKLXWAANS-KBXCAEBGSA-N 1 2 322.412 2.678 20 30 DFEDLO N#CC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000581280937 398388866 /nfs/dbraw/zinc/38/88/66/398388866.db2.gz JMVXDIKDGXCCBY-UHFFFAOYSA-N 1 2 322.412 2.817 20 30 DFEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)c(Br)c1O ZINC000581287298 398389170 /nfs/dbraw/zinc/38/91/70/398389170.db2.gz DNRWHFRQEWATQI-UHFFFAOYSA-N 1 2 311.179 2.557 20 30 DFEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146682 398391736 /nfs/dbraw/zinc/39/17/36/398391736.db2.gz JXIOUEKWBZBLAF-AUUYWEPGSA-N 1 2 323.396 2.517 20 30 DFEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146682 398391737 /nfs/dbraw/zinc/39/17/37/398391737.db2.gz JXIOUEKWBZBLAF-AUUYWEPGSA-N 1 2 323.396 2.517 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000592152833 398392494 /nfs/dbraw/zinc/39/24/94/398392494.db2.gz FJCJHSNWORALCO-KRWDZBQOSA-N 1 2 320.820 2.979 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000592152833 398392496 /nfs/dbraw/zinc/39/24/96/398392496.db2.gz FJCJHSNWORALCO-KRWDZBQOSA-N 1 2 320.820 2.979 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000592148295 398392621 /nfs/dbraw/zinc/39/26/21/398392621.db2.gz TVTXAPQTRIWVIP-CQSZACIVSA-N 1 2 315.200 2.723 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000592148295 398392622 /nfs/dbraw/zinc/39/26/22/398392622.db2.gz TVTXAPQTRIWVIP-CQSZACIVSA-N 1 2 315.200 2.723 20 30 DFEDLO N#Cc1csc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000084073283 398393297 /nfs/dbraw/zinc/39/32/97/398393297.db2.gz BOKHFPLELYYXNM-UHFFFAOYSA-N 1 2 322.393 2.795 20 30 DFEDLO Cc1ccc2c(c1)CN(c1[nH+]cnc3c1cnn3CCC#N)CC2 ZINC000596407062 398405947 /nfs/dbraw/zinc/40/59/47/398405947.db2.gz AWQQKWYRVIBPFE-UHFFFAOYSA-N 1 2 318.384 2.611 20 30 DFEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)cc1F ZINC000024960311 398435303 /nfs/dbraw/zinc/43/53/03/398435303.db2.gz KVBIFEKZKVNCSC-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)cc1F ZINC000024960311 398435306 /nfs/dbraw/zinc/43/53/06/398435306.db2.gz KVBIFEKZKVNCSC-UHFFFAOYSA-N 1 2 321.371 2.739 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286718998 219127646 /nfs/dbraw/zinc/12/76/46/219127646.db2.gz XEDFDARCEJPTMT-OCCSQVGLSA-N 1 2 316.298 2.690 20 30 DFEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286718998 219127648 /nfs/dbraw/zinc/12/76/48/219127648.db2.gz XEDFDARCEJPTMT-OCCSQVGLSA-N 1 2 316.298 2.690 20 30 DFEDLO N#CCCC1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000592567560 398445745 /nfs/dbraw/zinc/44/57/45/398445745.db2.gz BQPLXJRKYRXWFR-HNNXBMFYSA-N 1 2 307.344 2.507 20 30 DFEDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000057877343 334953636 /nfs/dbraw/zinc/95/36/36/334953636.db2.gz IASLOTZBSNEEDH-GFCCVEGCSA-N 1 2 303.431 2.971 20 30 DFEDLO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000026323298 398451832 /nfs/dbraw/zinc/45/18/32/398451832.db2.gz DHVKZNDIBVVUDG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000026323298 398451834 /nfs/dbraw/zinc/45/18/34/398451834.db2.gz DHVKZNDIBVVUDG-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325743 398451917 /nfs/dbraw/zinc/45/19/17/398451917.db2.gz FCUHHLSZNTVMDD-CYBMUJFWSA-N 1 2 318.380 2.988 20 30 DFEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325743 398451919 /nfs/dbraw/zinc/45/19/19/398451919.db2.gz FCUHHLSZNTVMDD-CYBMUJFWSA-N 1 2 318.380 2.988 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCCOC2)c1C#N ZINC000586775242 398456987 /nfs/dbraw/zinc/45/69/87/398456987.db2.gz OSNZXGYPRDHMPS-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCCOC2)c1C#N ZINC000586775242 398456989 /nfs/dbraw/zinc/45/69/89/398456989.db2.gz OSNZXGYPRDHMPS-INIZCTEOSA-N 1 2 310.401 2.663 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000280650548 398460868 /nfs/dbraw/zinc/46/08/68/398460868.db2.gz OCRDLTQHIVLZPF-BZSNNMDCSA-N 1 2 317.429 2.732 20 30 DFEDLO CC(C)[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067900253 398465663 /nfs/dbraw/zinc/46/56/63/398465663.db2.gz FUILNDGKZIAWJN-MRXNPFEDSA-N 1 2 313.445 2.885 20 30 DFEDLO COc1ccc([C@H](NC[C@H](C#N)CCC#N)c2[nH+]ccn2C)cc1 ZINC000028693493 398475037 /nfs/dbraw/zinc/47/50/37/398475037.db2.gz IUCZMNNOWVXHNJ-YOEHRIQHSA-N 1 2 323.400 2.551 20 30 DFEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596704007 398481553 /nfs/dbraw/zinc/48/15/53/398481553.db2.gz XHEWHJSYEPLPLX-LLVKDONJSA-N 1 2 313.361 2.573 20 30 DFEDLO CC[C@@H](C)[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588212204 398489814 /nfs/dbraw/zinc/48/98/14/398489814.db2.gz YWDHUQYXSJAWEZ-CQSZACIVSA-N 1 2 312.417 2.645 20 30 DFEDLO CC[C@@H](C)[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588212204 398489820 /nfs/dbraw/zinc/48/98/20/398489820.db2.gz YWDHUQYXSJAWEZ-CQSZACIVSA-N 1 2 312.417 2.645 20 30 DFEDLO CC[C@H](C)[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588212203 398490085 /nfs/dbraw/zinc/49/00/85/398490085.db2.gz YWDHUQYXSJAWEZ-AWEZNQCLSA-N 1 2 312.417 2.645 20 30 DFEDLO CC[C@H](C)[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588212203 398490087 /nfs/dbraw/zinc/49/00/87/398490087.db2.gz YWDHUQYXSJAWEZ-AWEZNQCLSA-N 1 2 312.417 2.645 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000596770356 398498197 /nfs/dbraw/zinc/49/81/97/398498197.db2.gz IRAAOBBFRHALBY-LSDHHAIUSA-N 1 2 315.421 2.655 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000030220126 398498269 /nfs/dbraw/zinc/49/82/69/398498269.db2.gz BDLPJXCWFHBXLV-UHFFFAOYSA-N 1 2 316.364 2.733 20 30 DFEDLO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000068607694 398516483 /nfs/dbraw/zinc/51/64/83/398516483.db2.gz ITLAPIHGBZOQGT-JTQLQIEISA-N 1 2 310.195 2.588 20 30 DFEDLO N#CC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000596866878 398517937 /nfs/dbraw/zinc/51/79/37/398517937.db2.gz RAXJCNXMHDBGNB-AWEZNQCLSA-N 1 2 315.421 2.773 20 30 DFEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC000593014135 398520509 /nfs/dbraw/zinc/52/05/09/398520509.db2.gz UCDUUNXTVZRWKU-UHFFFAOYSA-N 1 2 303.362 2.856 20 30 DFEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC000593014135 398520514 /nfs/dbraw/zinc/52/05/14/398520514.db2.gz UCDUUNXTVZRWKU-UHFFFAOYSA-N 1 2 303.362 2.856 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000596894322 398524725 /nfs/dbraw/zinc/52/47/25/398524725.db2.gz LEYORWDKVPHXBN-NEPJUHHUSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@@H](CC#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000596894322 398524726 /nfs/dbraw/zinc/52/47/26/398524726.db2.gz LEYORWDKVPHXBN-NEPJUHHUSA-N 1 2 306.435 2.863 20 30 DFEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000593029066 398524909 /nfs/dbraw/zinc/52/49/09/398524909.db2.gz NSWCZECMRRDMCL-UHFFFAOYSA-N 1 2 321.428 2.672 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000279721395 215090178 /nfs/dbraw/zinc/09/01/78/215090178.db2.gz MKXCCFLILFSBKT-AWEZNQCLSA-N 1 2 315.385 2.799 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000279721395 215090181 /nfs/dbraw/zinc/09/01/81/215090181.db2.gz MKXCCFLILFSBKT-AWEZNQCLSA-N 1 2 315.385 2.799 20 30 DFEDLO Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000091628091 398538120 /nfs/dbraw/zinc/53/81/20/398538120.db2.gz PMYIVDZAOHMFTP-CQSZACIVSA-N 1 2 322.416 2.881 20 30 DFEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596983504 398540253 /nfs/dbraw/zinc/54/02/53/398540253.db2.gz DUJBCOWSIHAQSJ-IAGOWNOFSA-N 1 2 322.412 2.832 20 30 DFEDLO C=CC[N@H+](Cc1cnn2c1CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000596996143 398543304 /nfs/dbraw/zinc/54/33/04/398543304.db2.gz QLJOZEIQOBWHCV-UHFFFAOYSA-N 1 2 312.373 2.926 20 30 DFEDLO C=CC[N@@H+](Cc1cnn2c1CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000596996143 398543307 /nfs/dbraw/zinc/54/33/07/398543307.db2.gz QLJOZEIQOBWHCV-UHFFFAOYSA-N 1 2 312.373 2.926 20 30 DFEDLO N#Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1F ZINC000589346979 398547465 /nfs/dbraw/zinc/54/74/65/398547465.db2.gz IRFYAELGBOEVLZ-UHFFFAOYSA-N 1 2 324.359 2.835 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000593121259 398551604 /nfs/dbraw/zinc/55/16/04/398551604.db2.gz ZTJHLBXWXTWVLL-UHFFFAOYSA-N 1 2 311.429 2.960 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000593121259 398551606 /nfs/dbraw/zinc/55/16/06/398551606.db2.gz ZTJHLBXWXTWVLL-UHFFFAOYSA-N 1 2 311.429 2.960 20 30 DFEDLO Cc1cc(C)n([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589498157 398556889 /nfs/dbraw/zinc/55/68/89/398556889.db2.gz OPAMTWINJOUAJQ-AWEZNQCLSA-N 1 2 301.419 2.665 20 30 DFEDLO Cc1cc(C)n([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589498157 398556892 /nfs/dbraw/zinc/55/68/92/398556892.db2.gz OPAMTWINJOUAJQ-AWEZNQCLSA-N 1 2 301.419 2.665 20 30 DFEDLO CC(C)Sc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155526 398559498 /nfs/dbraw/zinc/55/94/98/398559498.db2.gz ZBUIIKJUICQJIA-INIZCTEOSA-N 1 2 305.447 2.761 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000589532480 398559837 /nfs/dbraw/zinc/55/98/37/398559837.db2.gz WFRYHZNQYAKYLI-INIZCTEOSA-N 1 2 324.384 2.848 20 30 DFEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccnc(C#N)c1 ZINC000589534981 398559847 /nfs/dbraw/zinc/55/98/47/398559847.db2.gz MOVXNGPMDLAZHH-OAHLLOKOSA-N 1 2 309.373 2.537 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC1(Cc2ccccc2)CC1 ZINC000589599964 398563021 /nfs/dbraw/zinc/56/30/21/398563021.db2.gz BDCWVNVQTPAFRH-UHFFFAOYSA-N 1 2 318.384 2.927 20 30 DFEDLO COc1cc(F)c(CNc2cc(CC#N)cc[nH+]2)cc1OC ZINC000593220400 398573179 /nfs/dbraw/zinc/57/31/79/398573179.db2.gz NCPJLDXNOZFWND-UHFFFAOYSA-N 1 2 301.321 2.916 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000589990665 398588102 /nfs/dbraw/zinc/58/81/02/398588102.db2.gz KINBURZLFKTVHR-UHFFFAOYSA-N 1 2 309.344 2.958 20 30 DFEDLO Cc1ccc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)c(N2CCCC2)[nH+]1 ZINC000351081283 398615984 /nfs/dbraw/zinc/61/59/84/398615984.db2.gz SVMXPAHPZSVBIO-APPDUMDISA-N 1 2 309.373 2.841 20 30 DFEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)CC#N ZINC000597318917 398619496 /nfs/dbraw/zinc/61/94/96/398619496.db2.gz LOCPTGOHWBBTOP-HNNXBMFYSA-N 1 2 314.433 2.696 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)C[C@H](C)C#N ZINC000043471631 398622942 /nfs/dbraw/zinc/62/29/42/398622942.db2.gz SOPYORUFMAEGBO-CYBMUJFWSA-N 1 2 313.405 2.536 20 30 DFEDLO CN(C(=O)c1cccc(C#N)n1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000590478321 398624925 /nfs/dbraw/zinc/62/49/25/398624925.db2.gz UXVXFHFZZFLSNY-MRXNPFEDSA-N 1 2 317.352 2.538 20 30 DFEDLO CCC(CC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043630022 398625870 /nfs/dbraw/zinc/62/58/70/398625870.db2.gz HUCRZOUJPPKKLK-UHFFFAOYSA-N 1 2 314.433 2.574 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000072689373 398629900 /nfs/dbraw/zinc/62/99/00/398629900.db2.gz YQZVYWUZXQOBLE-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000072689373 398629906 /nfs/dbraw/zinc/62/99/06/398629906.db2.gz YQZVYWUZXQOBLE-UHFFFAOYSA-N 1 2 316.323 2.990 20 30 DFEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000593450285 398633042 /nfs/dbraw/zinc/63/30/42/398633042.db2.gz KSGFILSHEHRUIB-UONOGXRCSA-N 1 2 303.381 2.581 20 30 DFEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000597397881 398635099 /nfs/dbraw/zinc/63/50/99/398635099.db2.gz GRZFLPDQKXHUSW-ZDUSSCGKSA-N 1 2 305.809 2.534 20 30 DFEDLO C[C@@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)S1 ZINC000072768548 398635749 /nfs/dbraw/zinc/63/57/49/398635749.db2.gz YERAFBKHUNUZRZ-GHMZBOCLSA-N 1 2 323.849 2.976 20 30 DFEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)CC#N)c(C)c1 ZINC000597426619 398639063 /nfs/dbraw/zinc/63/90/63/398639063.db2.gz KVMINIIAJBKOSE-RHSMWYFYSA-N 1 2 310.401 2.907 20 30 DFEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)CC#N)c(C)c1 ZINC000597426618 398639098 /nfs/dbraw/zinc/63/90/98/398639098.db2.gz KVMINIIAJBKOSE-PBHICJAKSA-N 1 2 310.401 2.907 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000593474203 398640016 /nfs/dbraw/zinc/64/00/16/398640016.db2.gz KSIRFAFOEOPVBM-BBRMVZONSA-N 1 2 318.417 2.852 20 30 DFEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000593482891 398642434 /nfs/dbraw/zinc/64/24/34/398642434.db2.gz UKLKSNSZGGKFEQ-HIFRSBDPSA-N 1 2 304.390 2.604 20 30 DFEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000044437999 398642467 /nfs/dbraw/zinc/64/24/67/398642467.db2.gz ZEZNEHBGDANEKQ-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000044437999 398642469 /nfs/dbraw/zinc/64/24/69/398642469.db2.gz ZEZNEHBGDANEKQ-UHFFFAOYSA-N 1 2 315.323 2.907 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)cc(OC)c1O ZINC000189989009 186259405 /nfs/dbraw/zinc/25/94/05/186259405.db2.gz HONWLYRQSFNLNI-SFHVURJKSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)cc(OC)c1O ZINC000189989009 186259406 /nfs/dbraw/zinc/25/94/06/186259406.db2.gz HONWLYRQSFNLNI-SFHVURJKSA-N 1 2 319.401 2.657 20 30 DFEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593521552 398651515 /nfs/dbraw/zinc/65/15/15/398651515.db2.gz UWZHFZRRGSNYOV-UHFFFAOYSA-N 1 2 323.400 2.704 20 30 DFEDLO N#CCN1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000590690019 398652393 /nfs/dbraw/zinc/65/23/93/398652393.db2.gz XYZCQOPUARECPR-UHFFFAOYSA-N 1 2 306.373 2.511 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cnn(CC)c2)c1C ZINC000072982480 398653168 /nfs/dbraw/zinc/65/31/68/398653168.db2.gz UKWUXLKKFDNJOX-UHFFFAOYSA-N 1 2 314.433 2.822 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2cnn(CC)c2)c1C ZINC000072982480 398653171 /nfs/dbraw/zinc/65/31/71/398653171.db2.gz UKWUXLKKFDNJOX-UHFFFAOYSA-N 1 2 314.433 2.822 20 30 DFEDLO CC(C)(CNc1[nH+]cnc2c1cnn2CCC#N)c1ccccn1 ZINC000590708735 398656649 /nfs/dbraw/zinc/65/66/49/398656649.db2.gz HHOYHEUDTHMQNM-UHFFFAOYSA-N 1 2 321.388 2.525 20 30 DFEDLO CC(C)[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]1C(C)C ZINC000590723365 398658938 /nfs/dbraw/zinc/65/89/38/398658938.db2.gz RHLUBDUJBAGDJK-GJZGRUSLSA-N 1 2 312.421 2.857 20 30 DFEDLO CC[C@H](C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000593643637 398665208 /nfs/dbraw/zinc/66/52/08/398665208.db2.gz YBWPGNWMLBXURX-RDBSUJKOSA-N 1 2 323.437 2.669 20 30 DFEDLO CC[C@H](C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000593643637 398665211 /nfs/dbraw/zinc/66/52/11/398665211.db2.gz YBWPGNWMLBXURX-RDBSUJKOSA-N 1 2 323.437 2.669 20 30 DFEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000590754279 398667384 /nfs/dbraw/zinc/66/73/84/398667384.db2.gz OAPBMOAMHNUULP-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)nc1 ZINC000590754279 398667387 /nfs/dbraw/zinc/66/73/87/398667387.db2.gz OAPBMOAMHNUULP-UHFFFAOYSA-N 1 2 314.433 2.507 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757289 398668441 /nfs/dbraw/zinc/66/84/41/398668441.db2.gz KGESLCRGVRJBJW-HIFRSBDPSA-N 1 2 304.346 2.502 20 30 DFEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757289 398668443 /nfs/dbraw/zinc/66/84/43/398668443.db2.gz KGESLCRGVRJBJW-HIFRSBDPSA-N 1 2 304.346 2.502 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc2c(n1)CCOC2 ZINC000593716341 398676275 /nfs/dbraw/zinc/67/62/75/398676275.db2.gz VXLZATFDLAQPOZ-GOSISDBHSA-N 1 2 320.396 2.588 20 30 DFEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccoc1 ZINC000102409275 398677077 /nfs/dbraw/zinc/67/70/77/398677077.db2.gz DALIGTJXKFPXRS-UHFFFAOYSA-N 1 2 303.406 2.786 20 30 DFEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccoc1 ZINC000102409275 398677080 /nfs/dbraw/zinc/67/70/80/398677080.db2.gz DALIGTJXKFPXRS-UHFFFAOYSA-N 1 2 303.406 2.786 20 30 DFEDLO CCc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713328 398689289 /nfs/dbraw/zinc/68/92/89/398689289.db2.gz DTJYZMMIBBSPPK-UHFFFAOYSA-N 1 2 312.373 2.547 20 30 DFEDLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173782889 198251738 /nfs/dbraw/zinc/25/17/38/198251738.db2.gz RFUCSPNBVYCPBM-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173782889 198251740 /nfs/dbraw/zinc/25/17/40/198251740.db2.gz RFUCSPNBVYCPBM-NSHDSACASA-N 1 2 300.387 2.546 20 30 DFEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000173924901 198269646 /nfs/dbraw/zinc/26/96/46/198269646.db2.gz SXZQXKVQUYQLAI-CYBMUJFWSA-N 1 2 323.849 2.978 20 30 DFEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CCS1 ZINC000173924901 198269648 /nfs/dbraw/zinc/26/96/48/198269648.db2.gz SXZQXKVQUYQLAI-CYBMUJFWSA-N 1 2 323.849 2.978 20 30 DFEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593850838 398696867 /nfs/dbraw/zinc/69/68/67/398696867.db2.gz WLJSXJJSIFSPKV-LLVKDONJSA-N 1 2 308.345 2.529 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)o1 ZINC000174263207 198312305 /nfs/dbraw/zinc/31/23/05/198312305.db2.gz KSQLHSSDOKKYRW-UHFFFAOYSA-N 1 2 311.263 2.777 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590971634 398710754 /nfs/dbraw/zinc/71/07/54/398710754.db2.gz BSFRDHPNZCXTNE-BEFAXECRSA-N 1 2 322.412 2.663 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590971634 398710757 /nfs/dbraw/zinc/71/07/57/398710757.db2.gz BSFRDHPNZCXTNE-BEFAXECRSA-N 1 2 322.412 2.663 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000590970786 398711115 /nfs/dbraw/zinc/71/11/15/398711115.db2.gz IYVWUGNALIZXFR-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000590970786 398711116 /nfs/dbraw/zinc/71/11/16/398711116.db2.gz IYVWUGNALIZXFR-GFCCVEGCSA-N 1 2 317.820 2.649 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(OC(F)F)c1 ZINC000590972451 398711683 /nfs/dbraw/zinc/71/16/83/398711683.db2.gz VYASBMWFQAHXNJ-KGLIPLIRSA-N 1 2 308.328 2.770 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(OC(F)F)c1 ZINC000590972451 398711687 /nfs/dbraw/zinc/71/16/87/398711687.db2.gz VYASBMWFQAHXNJ-KGLIPLIRSA-N 1 2 308.328 2.770 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000593989393 398715603 /nfs/dbraw/zinc/71/56/03/398715603.db2.gz MTQDMEBGTDXQCI-CQSZACIVSA-N 1 2 322.412 2.861 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H](CC#N)C1 ZINC000597905168 398717469 /nfs/dbraw/zinc/71/74/69/398717469.db2.gz NOSDRDWWHPDHQP-OAHLLOKOSA-N 1 2 310.401 2.887 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051103 398718841 /nfs/dbraw/zinc/71/88/41/398718841.db2.gz DJKYYXMMQFBHTA-CVEARBPZSA-N 1 2 301.386 2.568 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051103 398718845 /nfs/dbraw/zinc/71/88/45/398718845.db2.gz DJKYYXMMQFBHTA-CVEARBPZSA-N 1 2 301.386 2.568 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056026 398719675 /nfs/dbraw/zinc/71/96/75/398719675.db2.gz SSAOEZBCUHIQCR-UONOGXRCSA-N 1 2 311.422 2.548 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591056026 398719677 /nfs/dbraw/zinc/71/96/77/398719677.db2.gz SSAOEZBCUHIQCR-UONOGXRCSA-N 1 2 311.422 2.548 20 30 DFEDLO N#Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1F ZINC000597939902 398724438 /nfs/dbraw/zinc/72/44/38/398724438.db2.gz DHGSDRUDMMWXQR-UHFFFAOYSA-N 1 2 324.359 2.623 20 30 DFEDLO CC(C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000597945808 398725565 /nfs/dbraw/zinc/72/55/65/398725565.db2.gz KWBXDBROAKLKRD-UHFFFAOYSA-N 1 2 322.412 2.685 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000594040807 398728881 /nfs/dbraw/zinc/72/88/81/398728881.db2.gz IENTWWOCTQRJFX-DVOMOZLQSA-N 1 2 308.385 2.756 20 30 DFEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC#Cc2ccccc2)c1 ZINC000074192783 398730522 /nfs/dbraw/zinc/73/05/22/398730522.db2.gz ZURIUVNRMAJZOB-UHFFFAOYSA-N 1 2 315.376 2.962 20 30 DFEDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591145039 398731692 /nfs/dbraw/zinc/73/16/92/398731692.db2.gz ZNHBGVVGMOLANF-AWEZNQCLSA-N 1 2 311.345 2.813 20 30 DFEDLO COc1cc2[nH+]ccc(N3CC[C@@](F)(C#N)C3)c2cc1OC ZINC000591156039 398734228 /nfs/dbraw/zinc/73/42/28/398734228.db2.gz BNXADVKLFSFZKZ-MRXNPFEDSA-N 1 2 301.321 2.694 20 30 DFEDLO C=CCCOCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000591251492 398742552 /nfs/dbraw/zinc/74/25/52/398742552.db2.gz DKWVSKADGBVHOE-OAHLLOKOSA-N 1 2 318.417 2.611 20 30 DFEDLO N#Cc1cc(F)c(N2CCCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000302218223 283096904 /nfs/dbraw/zinc/09/69/04/283096904.db2.gz KTSPWOUQCFYYKA-UHFFFAOYSA-N 1 2 314.339 2.948 20 30 DFEDLO CC[C@](C)(C#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000114684262 398747017 /nfs/dbraw/zinc/74/70/17/398747017.db2.gz DXMHXJYPODPZGP-MRXNPFEDSA-N 1 2 316.430 2.684 20 30 DFEDLO Cc1csc(NC(=O)N2CCn3c(C)c(C)[nH+]c3C2)c1C#N ZINC000594111061 398745672 /nfs/dbraw/zinc/74/56/72/398745672.db2.gz QGHJZYWBLNZJQY-UHFFFAOYSA-N 1 2 315.402 2.789 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C#N ZINC000598074823 398748421 /nfs/dbraw/zinc/74/84/21/398748421.db2.gz IVDMGUQCVXRODQ-ZIAGYGMSSA-N 1 2 310.401 2.797 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000598089662 398752253 /nfs/dbraw/zinc/75/22/53/398752253.db2.gz XJUMJMSCKRFUAI-AEFFLSMTSA-N 1 2 322.412 2.672 20 30 DFEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000594231044 398769807 /nfs/dbraw/zinc/76/98/07/398769807.db2.gz VLJWYVHTKHMFSY-CQSZACIVSA-N 1 2 322.412 2.514 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(NC2CCCC2)c1 ZINC000591774114 398786979 /nfs/dbraw/zinc/78/69/79/398786979.db2.gz RVLXMXWMBJULIU-SFHVURJKSA-N 1 2 316.449 2.659 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(NC2CCCC2)c1 ZINC000591774114 398786980 /nfs/dbraw/zinc/78/69/80/398786980.db2.gz RVLXMXWMBJULIU-SFHVURJKSA-N 1 2 316.449 2.659 20 30 DFEDLO N#CCCCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000594346152 398786019 /nfs/dbraw/zinc/78/60/19/398786019.db2.gz VPOCMWCWCBIHMZ-KBPBESRZSA-N 1 2 323.437 2.861 20 30 DFEDLO N#CCCCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000594346152 398786022 /nfs/dbraw/zinc/78/60/22/398786022.db2.gz VPOCMWCWCBIHMZ-KBPBESRZSA-N 1 2 323.437 2.861 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CCCCC1 ZINC000598307492 398788637 /nfs/dbraw/zinc/78/86/37/398788637.db2.gz NZBHBWNNUHEIQO-UHFFFAOYSA-N 1 2 310.401 2.935 20 30 DFEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000276776299 213103196 /nfs/dbraw/zinc/10/31/96/213103196.db2.gz POXSRRCCELQJRO-OAHLLOKOSA-N 1 2 303.406 2.593 20 30 DFEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000276776299 213103201 /nfs/dbraw/zinc/10/32/01/213103201.db2.gz POXSRRCCELQJRO-OAHLLOKOSA-N 1 2 303.406 2.593 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152113038 283310171 /nfs/dbraw/zinc/31/01/71/283310171.db2.gz FFIIFARQQQICLP-PBHICJAKSA-N 1 2 323.400 2.547 20 30 DFEDLO N#Cc1cccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000075961939 398830861 /nfs/dbraw/zinc/83/08/61/398830861.db2.gz TVYHOOFLLZBMOH-UHFFFAOYSA-N 1 2 323.278 2.639 20 30 DFEDLO Cc1cc([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601628 398839234 /nfs/dbraw/zinc/83/92/34/398839234.db2.gz VMQGAEJBCDGCNW-RDJZCZTQSA-N 1 2 320.408 2.808 20 30 DFEDLO Cc1cc([C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)ccc1F ZINC000598601628 398839237 /nfs/dbraw/zinc/83/92/37/398839237.db2.gz VMQGAEJBCDGCNW-RDJZCZTQSA-N 1 2 320.408 2.808 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000076152919 398843830 /nfs/dbraw/zinc/84/38/30/398843830.db2.gz BJRHLZPSGAAQTN-ZWKOTPCHSA-N 1 2 311.429 2.771 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000076152919 398843833 /nfs/dbraw/zinc/84/38/33/398843833.db2.gz BJRHLZPSGAAQTN-ZWKOTPCHSA-N 1 2 311.429 2.771 20 30 DFEDLO N#CCC1(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)CC1 ZINC000594701373 398844591 /nfs/dbraw/zinc/84/45/91/398844591.db2.gz NLEWZHZTKGADGE-UHFFFAOYSA-N 1 2 312.417 2.882 20 30 DFEDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccccc1C#N ZINC000594710322 398846633 /nfs/dbraw/zinc/84/66/33/398846633.db2.gz HXXXZXAUOHATNG-GHMZBOCLSA-N 1 2 300.387 2.693 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649207 398847860 /nfs/dbraw/zinc/84/78/60/398847860.db2.gz KQYFRBDNROFJEV-GOEBONIOSA-N 1 2 315.408 2.844 20 30 DFEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000076402305 398854364 /nfs/dbraw/zinc/85/43/64/398854364.db2.gz IXOGBHPMIVSHQW-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000076402305 398854366 /nfs/dbraw/zinc/85/43/66/398854366.db2.gz IXOGBHPMIVSHQW-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO N#CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1 ZINC000076989766 398878713 /nfs/dbraw/zinc/87/87/13/398878713.db2.gz QTUSZTWOFBMZEP-UHFFFAOYSA-N 1 2 304.419 2.761 20 30 DFEDLO C=CC[N@H+](CC(=O)NC1CCCC1)Cc1ccc(OC)cc1 ZINC000054272091 398894117 /nfs/dbraw/zinc/89/41/17/398894117.db2.gz HQMHQNIFUHDVJD-UHFFFAOYSA-N 1 2 302.418 2.742 20 30 DFEDLO C=CC[N@@H+](CC(=O)NC1CCCC1)Cc1ccc(OC)cc1 ZINC000054272091 398894121 /nfs/dbraw/zinc/89/41/21/398894121.db2.gz HQMHQNIFUHDVJD-UHFFFAOYSA-N 1 2 302.418 2.742 20 30 DFEDLO Cc1ccc(C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cc1C#N ZINC000598943831 398894984 /nfs/dbraw/zinc/89/49/84/398894984.db2.gz IHJVKBQIUKQTRO-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO Cc1ccc(C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cc1C#N ZINC000598943831 398894987 /nfs/dbraw/zinc/89/49/87/398894987.db2.gz IHJVKBQIUKQTRO-UHFFFAOYSA-N 1 2 305.381 2.845 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945959 398895752 /nfs/dbraw/zinc/89/57/52/398895752.db2.gz MJSKKLBOEYTMOR-QWRGUYRKSA-N 1 2 306.207 2.894 20 30 DFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3nccc(Br)c3C2)C1 ZINC000598945959 398895754 /nfs/dbraw/zinc/89/57/54/398895754.db2.gz MJSKKLBOEYTMOR-QWRGUYRKSA-N 1 2 306.207 2.894 20 30 DFEDLO CCn1ccnc1C[N@@H+]1CCCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595301929 398919773 /nfs/dbraw/zinc/91/97/73/398919773.db2.gz JUWZBOLDXVKNST-SFHVURJKSA-N 1 2 323.444 2.676 20 30 DFEDLO CCn1ccnc1C[N@H+]1CCCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595301929 398919775 /nfs/dbraw/zinc/91/97/75/398919775.db2.gz JUWZBOLDXVKNST-SFHVURJKSA-N 1 2 323.444 2.676 20 30 DFEDLO CN(CCc1[nH]c2ccccc2[nH+]1)c1ncc2c(c1C#N)CCC2 ZINC000599092313 398920105 /nfs/dbraw/zinc/92/01/05/398920105.db2.gz OKIJZRSWKDWVLV-UHFFFAOYSA-N 1 2 317.396 2.997 20 30 DFEDLO N#Cc1cnccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180683 398935160 /nfs/dbraw/zinc/93/51/60/398935160.db2.gz XMLMLIVVPLBKME-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccoc1 ZINC000153543295 398936555 /nfs/dbraw/zinc/93/65/55/398936555.db2.gz BNUUROBIHAWHTH-UHFFFAOYSA-N 1 2 301.346 2.822 20 30 DFEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccoc1 ZINC000153543295 398936559 /nfs/dbraw/zinc/93/65/59/398936559.db2.gz BNUUROBIHAWHTH-UHFFFAOYSA-N 1 2 301.346 2.822 20 30 DFEDLO Cc1cccc(CCNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000604559837 398958503 /nfs/dbraw/zinc/95/85/03/398958503.db2.gz XVGBCIQZGDOXJW-UHFFFAOYSA-N 1 2 306.373 2.703 20 30 DFEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C)c(C#N)c2)no1 ZINC000599423420 398978496 /nfs/dbraw/zinc/97/84/96/398978496.db2.gz WVIXWDUEQMGUOJ-UHFFFAOYSA-N 1 2 313.357 2.666 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000599493919 398992769 /nfs/dbraw/zinc/99/27/69/398992769.db2.gz CWININZRVAXFLQ-QGZVFWFLSA-N 1 2 301.390 2.649 20 30 DFEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000599493919 398992771 /nfs/dbraw/zinc/99/27/71/398992771.db2.gz CWININZRVAXFLQ-QGZVFWFLSA-N 1 2 301.390 2.649 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611961 398998575 /nfs/dbraw/zinc/99/85/75/398998575.db2.gz QMMGAILKLXTBPN-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611961 398998583 /nfs/dbraw/zinc/99/85/83/398998583.db2.gz QMMGAILKLXTBPN-NEPJUHHUSA-N 1 2 307.344 2.917 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614413 399000542 /nfs/dbraw/zinc/00/05/42/399000542.db2.gz HRMMCHKCJOOJJQ-DYVFJYSZSA-N 1 2 315.392 2.771 20 30 DFEDLO N#CC[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000595614413 399000546 /nfs/dbraw/zinc/00/05/46/399000546.db2.gz HRMMCHKCJOOJJQ-DYVFJYSZSA-N 1 2 315.392 2.771 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614528 399001027 /nfs/dbraw/zinc/00/10/27/399001027.db2.gz IUNZBSTWUAOIHH-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614528 399001034 /nfs/dbraw/zinc/00/10/34/399001034.db2.gz IUNZBSTWUAOIHH-STQMWFEESA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615199 399003159 /nfs/dbraw/zinc/00/31/59/399003159.db2.gz KTQSGGKSIFRJSS-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615199 399003162 /nfs/dbraw/zinc/00/31/62/399003162.db2.gz KTQSGGKSIFRJSS-QWHCGFSZSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615731 399002518 /nfs/dbraw/zinc/00/25/18/399002518.db2.gz NHEDTEVBZKOHFS-RYUDHWBXSA-N 1 2 306.797 2.688 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615731 399002523 /nfs/dbraw/zinc/00/25/23/399002523.db2.gz NHEDTEVBZKOHFS-RYUDHWBXSA-N 1 2 306.797 2.688 20 30 DFEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000595617290 399004718 /nfs/dbraw/zinc/00/47/18/399004718.db2.gz XXTVPZSDGYJIBK-INIZCTEOSA-N 1 2 310.401 2.980 20 30 DFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000595617290 399004719 /nfs/dbraw/zinc/00/47/19/399004719.db2.gz XXTVPZSDGYJIBK-INIZCTEOSA-N 1 2 310.401 2.980 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621736 399005937 /nfs/dbraw/zinc/00/59/37/399005937.db2.gz YANPJJLEQRXWRU-WCQYABFASA-N 1 2 306.435 2.713 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)sc1C ZINC000595621736 399005938 /nfs/dbraw/zinc/00/59/38/399005938.db2.gz YANPJJLEQRXWRU-WCQYABFASA-N 1 2 306.435 2.713 20 30 DFEDLO CCOC(=O)[C@H]1c2ccoc2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000599544324 399007399 /nfs/dbraw/zinc/00/73/99/399007399.db2.gz CVGJGDSMSCDFED-GOSISDBHSA-N 1 2 324.380 2.856 20 30 DFEDLO CCOC(=O)[C@H]1c2ccoc2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000599544324 399007404 /nfs/dbraw/zinc/00/74/04/399007404.db2.gz CVGJGDSMSCDFED-GOSISDBHSA-N 1 2 324.380 2.856 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623985 399008167 /nfs/dbraw/zinc/00/81/67/399008167.db2.gz ZZHKQCINOREBEM-KBPBESRZSA-N 1 2 302.426 2.865 20 30 DFEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623985 399008170 /nfs/dbraw/zinc/00/81/70/399008170.db2.gz ZZHKQCINOREBEM-KBPBESRZSA-N 1 2 302.426 2.865 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599546331 399009377 /nfs/dbraw/zinc/00/93/77/399009377.db2.gz YQTCYPNLJZXSTF-NJZAAPMLSA-N 1 2 323.318 2.954 20 30 DFEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595629760 399010715 /nfs/dbraw/zinc/01/07/15/399010715.db2.gz KORDKPMLLSVEPT-UHFFFAOYSA-N 1 2 308.410 2.814 20 30 DFEDLO C=CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)COC ZINC000595638960 399012912 /nfs/dbraw/zinc/01/29/12/399012912.db2.gz PRMAUTYHMKYDTA-JTQLQIEISA-N 1 2 300.305 2.896 20 30 DFEDLO C=CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)COC ZINC000595638960 399012917 /nfs/dbraw/zinc/01/29/17/399012917.db2.gz PRMAUTYHMKYDTA-JTQLQIEISA-N 1 2 300.305 2.896 20 30 DFEDLO N#CCCCN(CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000599615411 399030452 /nfs/dbraw/zinc/03/04/52/399030452.db2.gz YVCDHSPMWRXUIG-UHFFFAOYSA-N 1 2 307.825 2.782 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(=O)Nc1c(F)cccc1F ZINC000595692230 399038102 /nfs/dbraw/zinc/03/81/02/399038102.db2.gz MSGXPJGLXAADKX-MISXGVKJSA-N 1 2 307.344 2.964 20 30 DFEDLO CC(C)OC(=O)Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000595694410 399038345 /nfs/dbraw/zinc/03/83/45/399038345.db2.gz XYDKYIDHUPCTTA-JSGCOSHPSA-N 1 2 321.446 2.809 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000595696971 399040869 /nfs/dbraw/zinc/04/08/69/399040869.db2.gz CKNLRTSKXRAYCJ-RISCZKNCSA-N 1 2 323.343 2.898 20 30 DFEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595698862 399042431 /nfs/dbraw/zinc/04/24/31/399042431.db2.gz KLASEJKYRZKINY-RISCZKNCSA-N 1 2 316.792 2.822 20 30 DFEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)on1 ZINC000595704267 399045531 /nfs/dbraw/zinc/04/55/31/399045531.db2.gz RJISXGKJYWAMOT-RYUDHWBXSA-N 1 2 304.394 2.583 20 30 DFEDLO CCc1nc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C#N)sc1C ZINC000595702497 399045939 /nfs/dbraw/zinc/04/59/39/399045939.db2.gz KLSLHTDQNUKXBH-AAEUAGOBSA-N 1 2 306.435 2.624 20 30 DFEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C#N)c(C#N)c1C ZINC000595704200 399046005 /nfs/dbraw/zinc/04/60/05/399046005.db2.gz QWHIXADWOSNEPJ-CORIIIEPSA-N 1 2 314.389 2.767 20 30 DFEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000595704546 399046204 /nfs/dbraw/zinc/04/62/04/399046204.db2.gz SMJSLSGEOSGYED-WOSRLPQWSA-N 1 2 301.390 2.694 20 30 DFEDLO N#CC1(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCC1 ZINC000599661115 399050395 /nfs/dbraw/zinc/05/03/95/399050395.db2.gz WLEJTTQHBNITNM-UHFFFAOYSA-N 1 2 308.429 2.979 20 30 DFEDLO Cc1cc(C2([NH2+]Cc3cc(C#N)ccc3F)CCOCC2)on1 ZINC000599676795 399057198 /nfs/dbraw/zinc/05/71/98/399057198.db2.gz VAERVTUKRRZWCL-UHFFFAOYSA-N 1 2 315.348 2.789 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn3ccccc3n1)C2 ZINC000599685307 399061804 /nfs/dbraw/zinc/06/18/04/399061804.db2.gz DJKUINYIOOJFFA-UHFFFAOYSA-N 1 2 302.381 2.959 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn3ccccc3n1)C2 ZINC000599685307 399061806 /nfs/dbraw/zinc/06/18/06/399061806.db2.gz DJKUINYIOOJFFA-UHFFFAOYSA-N 1 2 302.381 2.959 20 30 DFEDLO C=CCOc1ccc(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)cc1 ZINC000606387291 399063292 /nfs/dbraw/zinc/06/32/92/399063292.db2.gz MLTWLJOVACEMLT-UHFFFAOYSA-N 1 2 311.385 2.721 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755368 399069962 /nfs/dbraw/zinc/06/99/62/399069962.db2.gz MBHKXQBHODMNTB-BBRMVZONSA-N 1 2 304.365 2.844 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755368 399069967 /nfs/dbraw/zinc/06/99/67/399069967.db2.gz MBHKXQBHODMNTB-BBRMVZONSA-N 1 2 304.365 2.844 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755371 399070846 /nfs/dbraw/zinc/07/08/46/399070846.db2.gz MBHKXQBHODMNTB-XJKSGUPXSA-N 1 2 304.365 2.844 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755371 399070848 /nfs/dbraw/zinc/07/08/48/399070848.db2.gz MBHKXQBHODMNTB-XJKSGUPXSA-N 1 2 304.365 2.844 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000595787003 399085267 /nfs/dbraw/zinc/08/52/67/399085267.db2.gz RZEBJPCLLSPOAT-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000595787003 399085277 /nfs/dbraw/zinc/08/52/77/399085277.db2.gz RZEBJPCLLSPOAT-BXUZGUMPSA-N 1 2 314.307 2.589 20 30 DFEDLO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nnc2n1CCCCC2 ZINC000595802067 399090864 /nfs/dbraw/zinc/09/08/64/399090864.db2.gz YQPHMLRBYOCBMZ-OAHLLOKOSA-N 1 2 310.405 2.512 20 30 DFEDLO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)C#N ZINC000595811283 399094423 /nfs/dbraw/zinc/09/44/23/399094423.db2.gz AIISYHFELFOBRW-NSHDSACASA-N 1 2 309.797 2.911 20 30 DFEDLO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)C#N ZINC000595811283 399094431 /nfs/dbraw/zinc/09/44/31/399094431.db2.gz AIISYHFELFOBRW-NSHDSACASA-N 1 2 309.797 2.911 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](OC)c2ccccc2)c1 ZINC000284170000 335010159 /nfs/dbraw/zinc/01/01/59/335010159.db2.gz XRPQOSRUINVBOK-LJQANCHMSA-N 1 2 322.408 2.926 20 30 DFEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](OC)c2ccccc2)c1 ZINC000284170000 335010160 /nfs/dbraw/zinc/01/01/60/335010160.db2.gz XRPQOSRUINVBOK-LJQANCHMSA-N 1 2 322.408 2.926 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834526 399105583 /nfs/dbraw/zinc/10/55/83/399105583.db2.gz LUVBMUOWOXSRKW-BLLLJJGKSA-N 1 2 305.809 2.580 20 30 DFEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834526 399105585 /nfs/dbraw/zinc/10/55/85/399105585.db2.gz LUVBMUOWOXSRKW-BLLLJJGKSA-N 1 2 305.809 2.580 20 30 DFEDLO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000595838202 399106465 /nfs/dbraw/zinc/10/64/65/399106465.db2.gz SHLLJQGGDXFYNO-INIZCTEOSA-N 1 2 322.792 2.741 20 30 DFEDLO COC(=O)c1ccc(OCC[N@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000595838202 399106473 /nfs/dbraw/zinc/10/64/73/399106473.db2.gz SHLLJQGGDXFYNO-INIZCTEOSA-N 1 2 322.792 2.741 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840930 399107472 /nfs/dbraw/zinc/10/74/72/399107472.db2.gz RKDMWZOUEYCTIB-CLCXKQKWSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840930 399107479 /nfs/dbraw/zinc/10/74/79/399107479.db2.gz RKDMWZOUEYCTIB-CLCXKQKWSA-N 1 2 311.429 2.978 20 30 DFEDLO C=CCc1cc(C[N@H+]2CCCC[C@@H]2C(=O)OC)cc(OC)c1O ZINC000093440990 193252938 /nfs/dbraw/zinc/25/29/38/193252938.db2.gz OUQLQCVIRBWAQD-OAHLLOKOSA-N 1 2 319.401 2.657 20 30 DFEDLO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)cc(OC)c1O ZINC000093440990 193252941 /nfs/dbraw/zinc/25/29/41/193252941.db2.gz OUQLQCVIRBWAQD-OAHLLOKOSA-N 1 2 319.401 2.657 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000246260438 284167663 /nfs/dbraw/zinc/16/76/63/284167663.db2.gz XBAWMPYESJXVSO-GLQYFDAESA-N 1 2 304.415 2.926 20 30 DFEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000246260438 284167664 /nfs/dbraw/zinc/16/76/64/284167664.db2.gz XBAWMPYESJXVSO-GLQYFDAESA-N 1 2 304.415 2.926 20 30 DFEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)CC2 ZINC000600092602 399134191 /nfs/dbraw/zinc/13/41/91/399134191.db2.gz LIBKAAXPBXKLNO-HNNXBMFYSA-N 1 2 322.412 2.677 20 30 DFEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917438 399134973 /nfs/dbraw/zinc/13/49/73/399134973.db2.gz MLCGRFVNIGBMPG-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917438 399134977 /nfs/dbraw/zinc/13/49/77/399134977.db2.gz MLCGRFVNIGBMPG-MLGOLLRUSA-N 1 2 310.344 2.682 20 30 DFEDLO Cc1ccc([C@H](C)CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000600106949 399137420 /nfs/dbraw/zinc/13/74/20/399137420.db2.gz OHAZAXCRRURBDT-GOSISDBHSA-N 1 2 315.461 2.646 20 30 DFEDLO C=C[C@@](C)(O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614053154 399141993 /nfs/dbraw/zinc/14/19/93/399141993.db2.gz BJBLVWLMZQOPSN-GOSISDBHSA-N 1 2 311.385 2.762 20 30 DFEDLO C=C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000264468675 203943902 /nfs/dbraw/zinc/94/39/02/203943902.db2.gz MPXSRKPDFIAXIR-UHFFFAOYSA-N 1 2 300.318 2.797 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(c2nc3ncccc3cc2C#N)CC1(C)C ZINC000596003688 399147174 /nfs/dbraw/zinc/14/71/74/399147174.db2.gz SXYJEVNZJINSPA-CQSZACIVSA-N 1 2 318.384 2.822 20 30 DFEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183821890 399155234 /nfs/dbraw/zinc/15/52/34/399155234.db2.gz QFCJKFHCNKFISY-JTQLQIEISA-N 1 2 302.359 2.968 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185200239 399158833 /nfs/dbraw/zinc/15/88/33/399158833.db2.gz BZPVMIMPBWFTBX-STQMWFEESA-N 1 2 320.437 2.607 20 30 DFEDLO N#CC1(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCCCC1 ZINC000600840786 399158856 /nfs/dbraw/zinc/15/88/56/399158856.db2.gz VRDVFMDGDSLSNC-OAHLLOKOSA-N 1 2 300.406 2.738 20 30 DFEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278172384 214002575 /nfs/dbraw/zinc/00/25/75/214002575.db2.gz UVVPZYHDWVUOTG-BFHYXJOUSA-N 1 2 307.394 2.649 20 30 DFEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278172384 214002578 /nfs/dbraw/zinc/00/25/78/214002578.db2.gz UVVPZYHDWVUOTG-BFHYXJOUSA-N 1 2 307.394 2.649 20 30 DFEDLO Cc1cccn2cc(CCNc3nnc(C)c(C)c3C#N)[nH+]c12 ZINC000080691241 399171000 /nfs/dbraw/zinc/17/10/00/399171000.db2.gz KTGVPKGSXMOBLQ-UHFFFAOYSA-N 1 2 306.373 2.576 20 30 DFEDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596097172 399172003 /nfs/dbraw/zinc/17/20/03/399172003.db2.gz FROFQWKNMDRZPD-UHFFFAOYSA-N 1 2 311.345 2.813 20 30 DFEDLO C=C(C)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284842656 335017702 /nfs/dbraw/zinc/01/77/02/335017702.db2.gz RACOVTOEKGFZJU-CQSZACIVSA-N 1 2 320.437 2.590 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1cccc(C#N)c1 ZINC000063388242 399186857 /nfs/dbraw/zinc/18/68/57/399186857.db2.gz OOCKAAPARFIAJF-UHFFFAOYSA-N 1 2 323.396 2.798 20 30 DFEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1cccc(C#N)c1 ZINC000063388242 399186861 /nfs/dbraw/zinc/18/68/61/399186861.db2.gz OOCKAAPARFIAJF-UHFFFAOYSA-N 1 2 323.396 2.798 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)CC(=C)C)Cc1cccc(C#N)c1 ZINC000063388321 399186937 /nfs/dbraw/zinc/18/69/37/399186937.db2.gz UDWSLBQPRACKJS-UHFFFAOYSA-N 1 2 311.429 2.971 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)CC(=C)C)Cc1cccc(C#N)c1 ZINC000063388321 399186938 /nfs/dbraw/zinc/18/69/38/399186938.db2.gz UDWSLBQPRACKJS-UHFFFAOYSA-N 1 2 311.429 2.971 20 30 DFEDLO C=CCC1(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cc[nH+]c2)CCCC1 ZINC000622093714 399191656 /nfs/dbraw/zinc/19/16/56/399191656.db2.gz SWMVMDIRKYNCJG-HZPDHXFCSA-N 1 2 317.433 2.541 20 30 DFEDLO C=CCOCCCC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000266236287 205206069 /nfs/dbraw/zinc/20/60/69/205206069.db2.gz FSIOKDLMVFUBQJ-UHFFFAOYSA-N 1 2 305.422 2.527 20 30 DFEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000081039819 399207067 /nfs/dbraw/zinc/20/70/67/399207067.db2.gz PZNIEYKRYXTRQY-CYBMUJFWSA-N 1 2 316.323 2.681 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000081039819 399207069 /nfs/dbraw/zinc/20/70/69/399207069.db2.gz PZNIEYKRYXTRQY-CYBMUJFWSA-N 1 2 316.323 2.681 20 30 DFEDLO C[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043289 399207129 /nfs/dbraw/zinc/20/71/29/399207129.db2.gz IRONXHQMOLHUBM-CYBMUJFWSA-N 1 2 303.381 2.629 20 30 DFEDLO C[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000081043289 399207132 /nfs/dbraw/zinc/20/71/32/399207132.db2.gz IRONXHQMOLHUBM-CYBMUJFWSA-N 1 2 303.381 2.629 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000622133712 399206016 /nfs/dbraw/zinc/20/60/16/399206016.db2.gz HKRDHHNDKKHUMD-VVLHAWIVSA-N 1 2 317.433 2.539 20 30 DFEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285150213 335021342 /nfs/dbraw/zinc/02/13/42/335021342.db2.gz UDCLDOPQXCJFLD-GJZGRUSLSA-N 1 2 320.437 2.542 20 30 DFEDLO N#Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)nc(C2CC2)n1 ZINC000601111847 399230940 /nfs/dbraw/zinc/23/09/40/399230940.db2.gz YJCQCYRUGHYUIP-CYBMUJFWSA-N 1 2 320.400 2.559 20 30 DFEDLO Cc1cc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(C)c[nH+]1 ZINC000618762549 399231726 /nfs/dbraw/zinc/23/17/26/399231726.db2.gz CSEVFPZTOIHMKH-MRXNPFEDSA-N 1 2 306.369 2.801 20 30 DFEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000192233039 335024028 /nfs/dbraw/zinc/02/40/28/335024028.db2.gz PLTSGXCDBAIKAU-UHFFFAOYSA-N 1 2 304.699 2.862 20 30 DFEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000192233039 335024030 /nfs/dbraw/zinc/02/40/30/335024030.db2.gz PLTSGXCDBAIKAU-UHFFFAOYSA-N 1 2 304.699 2.862 20 30 DFEDLO CCOC(=O)CCc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(C)[nH+]1 ZINC000601172264 399246867 /nfs/dbraw/zinc/24/68/67/399246867.db2.gz ZGGJZJTYAQZKFH-KBPBESRZSA-N 1 2 316.405 2.775 20 30 DFEDLO N#Cc1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000030587496 182592998 /nfs/dbraw/zinc/59/29/98/182592998.db2.gz HOBMYIKDOQECFQ-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO Cc1ncc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)s1 ZINC000601228749 399259795 /nfs/dbraw/zinc/25/97/95/399259795.db2.gz UQRWIVVGDLVMKV-SECBINFHSA-N 1 2 313.390 2.678 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H](C(F)(F)F)C1 ZINC000601246409 399263612 /nfs/dbraw/zinc/26/36/12/399263612.db2.gz SNDGIZDHIVBCQE-SNVBAGLBSA-N 1 2 324.310 2.519 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000274381972 211564340 /nfs/dbraw/zinc/56/43/40/211564340.db2.gz MXSBOZVAPWYFMS-HNNXBMFYSA-N 1 2 302.418 2.639 20 30 DFEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(CCC#N)CC1 ZINC000601262080 399266256 /nfs/dbraw/zinc/26/62/56/399266256.db2.gz VCRMWGONJJATQO-UHFFFAOYSA-N 1 2 310.401 2.588 20 30 DFEDLO COc1ccc(Cl)cc1[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601315935 399275846 /nfs/dbraw/zinc/27/58/46/399275846.db2.gz QDVBJWWBCDKEHK-CYBMUJFWSA-N 1 2 307.825 2.941 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000609312888 399313390 /nfs/dbraw/zinc/31/33/90/399313390.db2.gz ODGXITUXUDQHJC-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000609312888 399313397 /nfs/dbraw/zinc/31/33/97/399313397.db2.gz ODGXITUXUDQHJC-UHFFFAOYSA-N 1 2 322.364 2.739 20 30 DFEDLO COc1ccc(C[NH2+]Cc2cocn2)cc1OCCCC#N ZINC000609354206 399315480 /nfs/dbraw/zinc/31/54/80/399315480.db2.gz VCHNWFBVDVKZRP-UHFFFAOYSA-N 1 2 301.346 2.656 20 30 DFEDLO N#CCc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609552292 399322577 /nfs/dbraw/zinc/32/25/77/399322577.db2.gz LAMSILDNOZBIQK-INIZCTEOSA-N 1 2 309.373 2.818 20 30 DFEDLO C[C@@H](c1ccccc1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609585278 399324435 /nfs/dbraw/zinc/32/44/35/399324435.db2.gz QYWISAHNSZTCNC-ZDUSSCGKSA-N 1 2 306.373 2.937 20 30 DFEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)Oc1ccccc1 ZINC000609613554 399326393 /nfs/dbraw/zinc/32/63/93/399326393.db2.gz AHVUHEBJTLRBAV-ZDUSSCGKSA-N 1 2 322.372 2.619 20 30 DFEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000609675913 399329339 /nfs/dbraw/zinc/32/93/39/399329339.db2.gz XRAQUVZQWHPYQK-MGPLVRAMSA-N 1 2 315.323 2.714 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671983 399329707 /nfs/dbraw/zinc/32/97/07/399329707.db2.gz LAQHXNZXNATZME-ACJLOTCBSA-N 1 2 321.380 2.540 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609671983 399329708 /nfs/dbraw/zinc/32/97/08/399329708.db2.gz LAQHXNZXNATZME-ACJLOTCBSA-N 1 2 321.380 2.540 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004546 399338388 /nfs/dbraw/zinc/33/83/88/399338388.db2.gz OYHSTZBYHYGIQR-CYBMUJFWSA-N 1 2 303.381 2.507 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000610004546 399338390 /nfs/dbraw/zinc/33/83/90/399338390.db2.gz OYHSTZBYHYGIQR-CYBMUJFWSA-N 1 2 303.381 2.507 20 30 DFEDLO CCn1cc[nH+]c1[C@H](Nc1ccc(C#N)cn1)C1CCOCC1 ZINC000284619277 218103306 /nfs/dbraw/zinc/10/33/06/218103306.db2.gz RPZTVYNSZMQPJS-MRXNPFEDSA-N 1 2 311.389 2.749 20 30 DFEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000273932088 211186372 /nfs/dbraw/zinc/18/63/72/211186372.db2.gz CHNDURYCHZIQFC-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C[C@]1(c2ccccc2)C[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000610280380 399353424 /nfs/dbraw/zinc/35/34/24/399353424.db2.gz ODGPTRSCZPLTFT-CRAIPNDOSA-N 1 2 318.384 2.882 20 30 DFEDLO C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(C#N)c1 ZINC000610340392 399358246 /nfs/dbraw/zinc/35/82/46/399358246.db2.gz PYUBKCWUTKHLKE-LBPRGKRZSA-N 1 2 317.356 2.785 20 30 DFEDLO Cc1cccn2cc(CC(=O)N[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000610361993 399360920 /nfs/dbraw/zinc/36/09/20/399360920.db2.gz JYNMCBYSTUPGPU-CQSZACIVSA-N 1 2 318.380 2.934 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)C3(C#N)CCCCC3)[nH+]c12 ZINC000610434981 399367645 /nfs/dbraw/zinc/36/76/45/399367645.db2.gz TUCJLAYJISMLMW-UHFFFAOYSA-N 1 2 310.401 2.776 20 30 DFEDLO N#C[C@@]1(F)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000615652157 399368423 /nfs/dbraw/zinc/36/84/23/399368423.db2.gz QXCTUXYQOZVZJZ-ZDUSSCGKSA-N 1 2 323.169 2.534 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)cc3)[nH+]c12 ZINC000610453706 399369173 /nfs/dbraw/zinc/36/91/73/399369173.db2.gz QFKKTMBPWDFUHF-UHFFFAOYSA-N 1 2 319.368 2.879 20 30 DFEDLO CN1CCCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000601971128 399372344 /nfs/dbraw/zinc/37/23/44/399372344.db2.gz TZFWMNSFCFTNNM-HNNXBMFYSA-N 1 2 305.809 2.654 20 30 DFEDLO CN1CCCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000601971128 399372347 /nfs/dbraw/zinc/37/23/47/399372347.db2.gz TZFWMNSFCFTNNM-HNNXBMFYSA-N 1 2 305.809 2.654 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601967439 399371606 /nfs/dbraw/zinc/37/16/06/399371606.db2.gz ITXMLVYPRQYYTA-NHYWBVRUSA-N 1 2 309.772 2.936 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610505431 399375192 /nfs/dbraw/zinc/37/51/92/399375192.db2.gz LIXUJJYPGNXGBC-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610505431 399375195 /nfs/dbraw/zinc/37/51/95/399375195.db2.gz LIXUJJYPGNXGBC-SFHVURJKSA-N 1 2 323.371 2.761 20 30 DFEDLO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(O)c(=O)c1 ZINC000601980530 399373537 /nfs/dbraw/zinc/37/35/37/399373537.db2.gz MRJHBEYPDGKZBL-GOEBONIOSA-N 1 2 300.402 3.000 20 30 DFEDLO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(O)c(=O)c1 ZINC000601980530 399373540 /nfs/dbraw/zinc/37/35/40/399373540.db2.gz MRJHBEYPDGKZBL-GOEBONIOSA-N 1 2 300.402 3.000 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000619716069 399381476 /nfs/dbraw/zinc/38/14/76/399381476.db2.gz MKJIMLUASOSNCA-GFCCVEGCSA-N 1 2 303.280 2.745 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000619716069 399381477 /nfs/dbraw/zinc/38/14/77/399381477.db2.gz MKJIMLUASOSNCA-GFCCVEGCSA-N 1 2 303.280 2.745 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000619716889 399381771 /nfs/dbraw/zinc/38/17/71/399381771.db2.gz YTABISGDTYBJQT-MRXNPFEDSA-N 1 2 303.402 2.874 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000602008185 399382160 /nfs/dbraw/zinc/38/21/60/399382160.db2.gz RQUNSDHJJFMSEG-UHFFFAOYSA-N 1 2 323.371 2.879 20 30 DFEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000602013550 399384334 /nfs/dbraw/zinc/38/43/34/399384334.db2.gz PWZBFLOOITUORI-QGZVFWFLSA-N 1 2 315.392 2.721 20 30 DFEDLO N#C[C@@]1(F)CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619751882 399387110 /nfs/dbraw/zinc/38/71/10/399387110.db2.gz ABTUREDYNMQSTM-KRWDZBQOSA-N 1 2 311.316 2.952 20 30 DFEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000109785371 194284979 /nfs/dbraw/zinc/28/49/79/194284979.db2.gz DVYLNHSLXVVLDE-NSHDSACASA-N 1 2 315.398 2.957 20 30 DFEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000109785371 194284982 /nfs/dbraw/zinc/28/49/82/194284982.db2.gz DVYLNHSLXVVLDE-NSHDSACASA-N 1 2 315.398 2.957 20 30 DFEDLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C#N)c1 ZINC000602081015 399392370 /nfs/dbraw/zinc/39/23/70/399392370.db2.gz WZONRUJFUHJJFQ-ZDUSSCGKSA-N 1 2 322.290 2.911 20 30 DFEDLO C#CC[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1 ZINC000287527160 335044406 /nfs/dbraw/zinc/04/44/06/335044406.db2.gz BYVOEVNJMMKBSN-INIZCTEOSA-N 1 2 320.383 2.844 20 30 DFEDLO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000159328056 197345414 /nfs/dbraw/zinc/34/54/14/197345414.db2.gz GHWPHECVJLNGHY-CYBMUJFWSA-N 1 2 314.364 2.844 20 30 DFEDLO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)no1 ZINC000159328056 197345416 /nfs/dbraw/zinc/34/54/16/197345416.db2.gz GHWPHECVJLNGHY-CYBMUJFWSA-N 1 2 314.364 2.844 20 30 DFEDLO CN(C(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000610719265 399397440 /nfs/dbraw/zinc/39/74/40/399397440.db2.gz QCCBZMVPBYNCKI-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000610719265 399397442 /nfs/dbraw/zinc/39/74/42/399397442.db2.gz QCCBZMVPBYNCKI-UHFFFAOYSA-N 1 2 317.408 2.920 20 30 DFEDLO CC1(C)CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@@H]1C#N ZINC000602139920 399400317 /nfs/dbraw/zinc/40/03/17/399400317.db2.gz HISYMSRZIXHZCL-MRXNPFEDSA-N 1 2 324.384 2.732 20 30 DFEDLO CCc1c[nH]c(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[nH+]1 ZINC000602163068 399403638 /nfs/dbraw/zinc/40/36/38/399403638.db2.gz HDZFEJPMYOYDPR-INIZCTEOSA-N 1 2 308.385 2.580 20 30 DFEDLO COc1cc2c(nn1)CC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000610859450 399412829 /nfs/dbraw/zinc/41/28/29/399412829.db2.gz MITARXIZZULYDB-UHFFFAOYSA-N 1 2 322.412 2.845 20 30 DFEDLO COc1cc2c(nn1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000610859450 399412833 /nfs/dbraw/zinc/41/28/33/399412833.db2.gz MITARXIZZULYDB-UHFFFAOYSA-N 1 2 322.412 2.845 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C2CC2)cc1 ZINC000611011849 399428726 /nfs/dbraw/zinc/42/87/26/399428726.db2.gz AIIRBVDUJWCPSC-INIZCTEOSA-N 1 2 320.396 2.508 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153788 399439350 /nfs/dbraw/zinc/43/93/50/399439350.db2.gz RCVQVFFTTLGAJD-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 ZINC000611153788 399439353 /nfs/dbraw/zinc/43/93/53/399439353.db2.gz RCVQVFFTTLGAJD-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1cccs1 ZINC000060942789 184158504 /nfs/dbraw/zinc/15/85/04/184158504.db2.gz DFPVKYWVSDNAMO-UHFFFAOYSA-N 1 2 304.415 2.988 20 30 DFEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1cccs1 ZINC000060942789 184158506 /nfs/dbraw/zinc/15/85/06/184158506.db2.gz DFPVKYWVSDNAMO-UHFFFAOYSA-N 1 2 304.415 2.988 20 30 DFEDLO N#CCCN(C(=O)C[NH+]1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000611180874 399442821 /nfs/dbraw/zinc/44/28/21/399442821.db2.gz ZSYXZUJQDYUPFY-UHFFFAOYSA-N 1 2 319.355 2.664 20 30 DFEDLO COCC[N@H+](Cc1cnc(OC)s1)Cc1ccc(C#N)cc1 ZINC000602443533 399446276 /nfs/dbraw/zinc/44/62/76/399446276.db2.gz DWYXZJFEJDNLSV-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO COCC[N@@H+](Cc1cnc(OC)s1)Cc1ccc(C#N)cc1 ZINC000602443533 399446278 /nfs/dbraw/zinc/44/62/78/399446278.db2.gz DWYXZJFEJDNLSV-UHFFFAOYSA-N 1 2 317.414 2.672 20 30 DFEDLO N#Cc1ccc(C2=CCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000611247205 399451099 /nfs/dbraw/zinc/45/10/99/399451099.db2.gz RJWMSACKQUOABM-UHFFFAOYSA-N 1 2 320.396 2.851 20 30 DFEDLO COCC[N@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602464904 399451399 /nfs/dbraw/zinc/45/13/99/399451399.db2.gz HSFJJEVAIWORKQ-HNNXBMFYSA-N 1 2 304.390 2.553 20 30 DFEDLO COCC[N@@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602464904 399451401 /nfs/dbraw/zinc/45/14/01/399451401.db2.gz HSFJJEVAIWORKQ-HNNXBMFYSA-N 1 2 304.390 2.553 20 30 DFEDLO CC(C)(C)c1nnc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000611275427 399456195 /nfs/dbraw/zinc/45/61/95/399456195.db2.gz GJYAFCQWURIHIO-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1nnc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)[nH]1 ZINC000611275427 399456198 /nfs/dbraw/zinc/45/61/98/399456198.db2.gz GJYAFCQWURIHIO-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1n[nH]c([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000611275427 399456202 /nfs/dbraw/zinc/45/62/02/399456202.db2.gz GJYAFCQWURIHIO-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO CC(C)(C)c1n[nH]c([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000611275427 399456203 /nfs/dbraw/zinc/45/62/03/399456203.db2.gz GJYAFCQWURIHIO-ZDUSSCGKSA-N 1 2 319.453 2.805 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H](C)C2)c1C#N ZINC000611346663 399464792 /nfs/dbraw/zinc/46/47/92/399464792.db2.gz BAYKJYDRIKKGKN-CYBMUJFWSA-N 1 2 312.442 2.990 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H](C)C2)c1C#N ZINC000611346663 399464797 /nfs/dbraw/zinc/46/47/97/399464797.db2.gz BAYKJYDRIKKGKN-CYBMUJFWSA-N 1 2 312.442 2.990 20 30 DFEDLO N#Cc1cc(NCCCNc2cccc[nH+]2)c2ccccc2n1 ZINC000611370238 399466540 /nfs/dbraw/zinc/46/65/40/399466540.db2.gz JBBNJDJPZIGIFX-UHFFFAOYSA-N 1 2 303.369 2.837 20 30 DFEDLO CC(C)[C@H](C#N)N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000611431880 399476158 /nfs/dbraw/zinc/47/61/58/399476158.db2.gz FKYVFIWDRMTEOJ-SFHVURJKSA-N 1 2 315.848 2.857 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501426 399483284 /nfs/dbraw/zinc/48/32/84/399483284.db2.gz BVABWLQFKYAQFI-XJADACSNSA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501426 399483286 /nfs/dbraw/zinc/48/32/86/399483286.db2.gz BVABWLQFKYAQFI-XJADACSNSA-N 1 2 323.456 2.986 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=CCC1 ZINC000611517536 399486172 /nfs/dbraw/zinc/48/61/72/399486172.db2.gz MOZWIWPJNLJADW-NSHDSACASA-N 1 2 301.415 2.697 20 30 DFEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=CCC1 ZINC000611517536 399486175 /nfs/dbraw/zinc/48/61/75/399486175.db2.gz MOZWIWPJNLJADW-NSHDSACASA-N 1 2 301.415 2.697 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602649700 399502352 /nfs/dbraw/zinc/50/23/52/399502352.db2.gz YWIHNYUFQXSSKE-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602649700 399502356 /nfs/dbraw/zinc/50/23/56/399502356.db2.gz YWIHNYUFQXSSKE-CQSZACIVSA-N 1 2 310.376 2.803 20 30 DFEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N(CC)CC)[nH+]c1)OCC ZINC000270049541 208102906 /nfs/dbraw/zinc/10/29/06/208102906.db2.gz QVOCMMHDQNLMNK-MRXNPFEDSA-N 1 2 319.449 2.915 20 30 DFEDLO CC1(O)C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000602689526 399521933 /nfs/dbraw/zinc/52/19/33/399521933.db2.gz WCPWHNAYGHLHNV-UHFFFAOYSA-N 1 2 308.381 2.704 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]2CCCC[C@@H]21 ZINC000611764231 399522149 /nfs/dbraw/zinc/52/21/49/399522149.db2.gz JVNQRZKCSTXCJH-UMVBOHGHSA-N 1 2 310.405 2.755 20 30 DFEDLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@H]2CCCC[C@@H]12 ZINC000611764227 399522422 /nfs/dbraw/zinc/52/24/22/399522422.db2.gz JVNQRZKCSTXCJH-IPYPFGDCSA-N 1 2 310.405 2.755 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602707280 399531745 /nfs/dbraw/zinc/53/17/45/399531745.db2.gz SCTMDYSBNAJADV-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602707280 399531747 /nfs/dbraw/zinc/53/17/47/399531747.db2.gz SCTMDYSBNAJADV-ZDUSSCGKSA-N 1 2 318.421 2.501 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)OCC ZINC000270209936 208277495 /nfs/dbraw/zinc/27/74/95/208277495.db2.gz RUIFNSMGKUCIDO-PMPSAXMXSA-N 1 2 305.422 2.664 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)OCC ZINC000270209930 208277638 /nfs/dbraw/zinc/27/76/38/208277638.db2.gz RUIFNSMGKUCIDO-JYJNAYRXSA-N 1 2 305.422 2.664 20 30 DFEDLO C[C@@H](CCC#N)C[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000602712548 399533920 /nfs/dbraw/zinc/53/39/20/399533920.db2.gz UTABMTLJCOZBOD-HOCLYGCPSA-N 1 2 317.433 2.864 20 30 DFEDLO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624062997 399539946 /nfs/dbraw/zinc/53/99/46/399539946.db2.gz DHZQHLYWQWZEIC-PBHICJAKSA-N 1 2 323.458 2.818 20 30 DFEDLO C=CCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000624062997 399539952 /nfs/dbraw/zinc/53/99/52/399539952.db2.gz DHZQHLYWQWZEIC-PBHICJAKSA-N 1 2 323.458 2.818 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@H]1CCc2c(cccc2OC)C1)C(=O)OC ZINC000602732369 399545249 /nfs/dbraw/zinc/54/52/49/399545249.db2.gz AZNXISXPEJSFOL-HOCLYGCPSA-N 1 2 303.402 2.650 20 30 DFEDLO C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287620889 335048973 /nfs/dbraw/zinc/04/89/73/335048973.db2.gz JUSSGOVRPWRZDE-CYBMUJFWSA-N 1 2 317.838 2.687 20 30 DFEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCc2ccc(OC)cc2C1)C(=O)OC ZINC000602735443 399547950 /nfs/dbraw/zinc/54/79/50/399547950.db2.gz XFUCIEVTYTUOLD-WBVHZDCISA-N 1 2 303.402 2.650 20 30 DFEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602747562 399554584 /nfs/dbraw/zinc/55/45/84/399554584.db2.gz BBFNQFFPXXVONR-UHFFFAOYSA-N 1 2 307.825 2.770 20 30 DFEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)c(OC(F)F)cc1C ZINC000602748067 399555016 /nfs/dbraw/zinc/55/50/16/399555016.db2.gz KBOLRZVWGVMTEM-UHFFFAOYSA-N 1 2 323.387 2.936 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](Cc2nnn(C)n2)C(C)(C)C)cc1 ZINC000193443204 335050022 /nfs/dbraw/zinc/05/00/22/335050022.db2.gz VUFHWWXPZSNHKO-UHFFFAOYSA-N 1 2 315.421 2.576 20 30 DFEDLO C=CCOc1ccc(C[N@H+](Cc2nnn(C)n2)C(C)(C)C)cc1 ZINC000193443204 335050023 /nfs/dbraw/zinc/05/00/23/335050023.db2.gz VUFHWWXPZSNHKO-UHFFFAOYSA-N 1 2 315.421 2.576 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157389869 197184030 /nfs/dbraw/zinc/18/40/30/197184030.db2.gz PTJIKHFJJQATEZ-GJZGRUSLSA-N 1 2 320.458 2.711 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157389869 197184032 /nfs/dbraw/zinc/18/40/32/197184032.db2.gz PTJIKHFJJQATEZ-GJZGRUSLSA-N 1 2 320.458 2.711 20 30 DFEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000617040250 399586203 /nfs/dbraw/zinc/58/62/03/399586203.db2.gz RLVRMAATGVQBHC-KBPBESRZSA-N 1 2 311.389 2.527 20 30 DFEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000612162137 399595529 /nfs/dbraw/zinc/59/55/29/399595529.db2.gz KYAJXRVCBWTNBG-LJQANCHMSA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000612162137 399595535 /nfs/dbraw/zinc/59/55/35/399595535.db2.gz KYAJXRVCBWTNBG-LJQANCHMSA-N 1 2 311.429 2.803 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162528 399595903 /nfs/dbraw/zinc/59/59/03/399595903.db2.gz OHHZLVIGTOLMAH-RDTXWAMCSA-N 1 2 317.408 2.798 20 30 DFEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162528 399595907 /nfs/dbraw/zinc/59/59/07/399595907.db2.gz OHHZLVIGTOLMAH-RDTXWAMCSA-N 1 2 317.408 2.798 20 30 DFEDLO COc1cc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)ccc1Cl ZINC000602850161 399601410 /nfs/dbraw/zinc/60/14/10/399601410.db2.gz PFDHUWXHJHXPAO-CHWSQXEVSA-N 1 2 307.825 2.767 20 30 DFEDLO C[C@@H]1C[NH+](Cc2nsc3ccccc32)C[C@@H](C)N1CC#N ZINC000602851465 399601566 /nfs/dbraw/zinc/60/15/66/399601566.db2.gz WMNVUNMYFYZSNT-CHWSQXEVSA-N 1 2 300.431 2.714 20 30 DFEDLO C[C@H]1C[NH+](Cc2ccc(C#N)cc2Cl)C[C@H](C)N1CC#N ZINC000602850553 399601966 /nfs/dbraw/zinc/60/19/66/399601966.db2.gz QKBWZGGWJAGJIN-STQMWFEESA-N 1 2 302.809 2.630 20 30 DFEDLO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1CC#N ZINC000602853040 399603971 /nfs/dbraw/zinc/60/39/71/399603971.db2.gz GBAVGGFYTDGUOK-VXGBXAGGSA-N 1 2 322.796 2.666 20 30 DFEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602856346 399605051 /nfs/dbraw/zinc/60/50/51/399605051.db2.gz ZHYGSOHGFMUNGK-GASCZTMLSA-N 1 2 303.454 2.662 20 30 DFEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602856346 399605055 /nfs/dbraw/zinc/60/50/55/399605055.db2.gz ZHYGSOHGFMUNGK-GASCZTMLSA-N 1 2 303.454 2.662 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000602863268 399607696 /nfs/dbraw/zinc/60/76/96/399607696.db2.gz MDLVYCNCSIQVCJ-NXEZZACHSA-N 1 2 310.195 2.668 20 30 DFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000602863271 399607869 /nfs/dbraw/zinc/60/78/69/399607869.db2.gz MDLVYCNCSIQVCJ-UWVGGRQHSA-N 1 2 310.195 2.668 20 30 DFEDLO C=CCCCC[N@@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662933 399608957 /nfs/dbraw/zinc/60/89/57/399608957.db2.gz PGTFUSJJMZDXFO-QGZVFWFLSA-N 1 2 323.458 2.820 20 30 DFEDLO C=CCCCC[N@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662933 399608958 /nfs/dbraw/zinc/60/89/58/399608958.db2.gz PGTFUSJJMZDXFO-QGZVFWFLSA-N 1 2 323.458 2.820 20 30 DFEDLO COc1cc(C#N)ccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120895336 195259292 /nfs/dbraw/zinc/25/92/92/195259292.db2.gz MRBYUUVBUXRWFV-UHFFFAOYSA-N 1 2 324.428 2.982 20 30 DFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000120895336 195259294 /nfs/dbraw/zinc/25/92/94/195259294.db2.gz MRBYUUVBUXRWFV-UHFFFAOYSA-N 1 2 324.428 2.982 20 30 DFEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000120895336 195259296 /nfs/dbraw/zinc/25/92/96/195259296.db2.gz MRBYUUVBUXRWFV-UHFFFAOYSA-N 1 2 324.428 2.982 20 30 DFEDLO N#Cc1ccccc1NC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000602897688 399618309 /nfs/dbraw/zinc/61/83/09/399618309.db2.gz BNBUQWZGOGNNHB-UHFFFAOYSA-N 1 2 317.396 2.901 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)(C)C ZINC000288729013 335055092 /nfs/dbraw/zinc/05/50/92/335055092.db2.gz WLMJRXFQYJXKMM-OAHLLOKOSA-N 1 2 314.433 2.529 20 30 DFEDLO CCCc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)no1 ZINC000602911355 399623334 /nfs/dbraw/zinc/62/33/34/399623334.db2.gz YJCDFZGGEJIGMJ-UHFFFAOYSA-N 1 2 311.389 2.668 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccco1 ZINC000602924273 399629379 /nfs/dbraw/zinc/62/93/79/399629379.db2.gz BZHSLVAVTUWLPO-GOSISDBHSA-N 1 2 323.396 2.851 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccco1 ZINC000602924273 399629383 /nfs/dbraw/zinc/62/93/83/399629383.db2.gz BZHSLVAVTUWLPO-GOSISDBHSA-N 1 2 323.396 2.851 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602925124 399628851 /nfs/dbraw/zinc/62/88/51/399628851.db2.gz ICLSWXFQCYQDPW-CJNGLKHVSA-N 1 2 303.406 2.671 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602925124 399628855 /nfs/dbraw/zinc/62/88/55/399628855.db2.gz ICLSWXFQCYQDPW-CJNGLKHVSA-N 1 2 303.406 2.671 20 30 DFEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000612347207 399629172 /nfs/dbraw/zinc/62/91/72/399629172.db2.gz VMZJMBVXQSBCAX-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289846890 221266302 /nfs/dbraw/zinc/26/63/02/221266302.db2.gz PKOLVWFCKZUIGX-RYUDHWBXSA-N 1 2 307.344 2.862 20 30 DFEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289846890 221266303 /nfs/dbraw/zinc/26/63/03/221266303.db2.gz PKOLVWFCKZUIGX-RYUDHWBXSA-N 1 2 307.344 2.862 20 30 DFEDLO Cc1oc(NC(=O)C[NH+]2CCC(CCF)CC2)c(C#N)c1C ZINC000602950894 399637158 /nfs/dbraw/zinc/63/71/58/399637158.db2.gz PCNNGUHSLQPNKH-UHFFFAOYSA-N 1 2 307.369 2.778 20 30 DFEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000289098490 335060032 /nfs/dbraw/zinc/06/00/32/335060032.db2.gz VIXZTRAVBBHEQU-UKRRQHHQSA-N 1 2 323.356 2.766 20 30 DFEDLO CC1(F)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000602993286 399652952 /nfs/dbraw/zinc/65/29/52/399652952.db2.gz WPUYHZOHZAFHKA-GFCCVEGCSA-N 1 2 307.394 2.549 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](CO)C[C@H]2C)c1C#N ZINC000603028915 399660616 /nfs/dbraw/zinc/66/06/16/399660616.db2.gz IDUZFOADYHTIAV-ZBFHGGJFSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](CO)C[C@H]2C)c1C#N ZINC000603028915 399660620 /nfs/dbraw/zinc/66/06/20/399660620.db2.gz IDUZFOADYHTIAV-ZBFHGGJFSA-N 1 2 324.428 2.645 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973758 399644249 /nfs/dbraw/zinc/64/42/49/399644249.db2.gz FDYPYONCWUTZIU-DOTOQJQBSA-N 1 2 317.408 2.798 20 30 DFEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973758 399644253 /nfs/dbraw/zinc/64/42/53/399644253.db2.gz FDYPYONCWUTZIU-DOTOQJQBSA-N 1 2 317.408 2.798 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c1 ZINC000289671441 335062434 /nfs/dbraw/zinc/06/24/34/335062434.db2.gz NOSPKJCSYPGDIE-OXTHUFEASA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c1 ZINC000289671441 335062435 /nfs/dbraw/zinc/06/24/35/335062435.db2.gz NOSPKJCSYPGDIE-OXTHUFEASA-N 1 2 307.459 2.983 20 30 DFEDLO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121842827 195360663 /nfs/dbraw/zinc/36/06/63/195360663.db2.gz GOQCQOXFAKPSRZ-MRXNPFEDSA-N 1 2 311.389 2.672 20 30 DFEDLO N#Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121842827 195360665 /nfs/dbraw/zinc/36/06/65/195360665.db2.gz GOQCQOXFAKPSRZ-MRXNPFEDSA-N 1 2 311.389 2.672 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632840515 399757994 /nfs/dbraw/zinc/75/79/94/399757994.db2.gz FBJNIKJDCAWJEY-RDJZCZTQSA-N 1 2 311.385 2.788 20 30 DFEDLO Cc1cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)[nH]1 ZINC000626130846 399766992 /nfs/dbraw/zinc/76/69/92/399766992.db2.gz HGRZMOGEXDXLPW-UHFFFAOYSA-N 1 2 307.397 2.939 20 30 DFEDLO Cc1cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)[nH]1 ZINC000626130846 399766996 /nfs/dbraw/zinc/76/69/96/399766996.db2.gz HGRZMOGEXDXLPW-UHFFFAOYSA-N 1 2 307.397 2.939 20 30 DFEDLO C#Cc1ccccc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000289619925 335064897 /nfs/dbraw/zinc/06/48/97/335064897.db2.gz BHKKILKJQILLRU-IAGOWNOFSA-N 1 2 323.396 2.568 20 30 DFEDLO C#Cc1ccccc1Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000289619925 335064898 /nfs/dbraw/zinc/06/48/98/335064898.db2.gz BHKKILKJQILLRU-IAGOWNOFSA-N 1 2 323.396 2.568 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890579 399814528 /nfs/dbraw/zinc/81/45/28/399814528.db2.gz GNNOECBZAQOENX-CYBMUJFWSA-N 1 2 303.406 2.561 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890579 399814536 /nfs/dbraw/zinc/81/45/36/399814536.db2.gz GNNOECBZAQOENX-CYBMUJFWSA-N 1 2 303.406 2.561 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000289894402 335066808 /nfs/dbraw/zinc/06/68/08/335066808.db2.gz XETNPBIFYJWVFU-INIZCTEOSA-N 1 2 311.385 2.748 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000289894402 335066809 /nfs/dbraw/zinc/06/68/09/335066809.db2.gz XETNPBIFYJWVFU-INIZCTEOSA-N 1 2 311.385 2.748 20 30 DFEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000604445269 399847714 /nfs/dbraw/zinc/84/77/14/399847714.db2.gz QLMPILRIXPCDOB-UHFFFAOYSA-N 1 2 317.352 2.999 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCSc1ccccc1 ZINC000604558286 399856462 /nfs/dbraw/zinc/85/64/62/399856462.db2.gz SENYRKUVQMHSCS-UHFFFAOYSA-N 1 2 324.413 2.944 20 30 DFEDLO CN(Cc1ccc(F)cc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000604559530 399856545 /nfs/dbraw/zinc/85/65/45/399856545.db2.gz XVTXDTSIVVJXPI-UHFFFAOYSA-N 1 2 310.336 2.515 20 30 DFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580235 425884810 /nfs/dbraw/zinc/88/48/10/425884810.db2.gz MRPXGHSUXXVSBL-CQSZACIVSA-N 1 2 318.384 2.727 20 30 DFEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580235 425884811 /nfs/dbraw/zinc/88/48/11/425884811.db2.gz MRPXGHSUXXVSBL-CQSZACIVSA-N 1 2 318.384 2.727 20 30 DFEDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1nc(C#N)cs1 ZINC000357700219 543263185 /nfs/dbraw/zinc/26/31/85/543263185.db2.gz NBLVHGOXMZCKDP-UHFFFAOYSA-N 1 2 303.778 3.167 20 30 DFEDLO CCOc1cccc(N2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000171583780 145271715 /nfs/dbraw/zinc/27/17/15/145271715.db2.gz PUZYIVJXETUSPC-UHFFFAOYSA-N 1 2 322.412 2.674 20 30 DFEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000627685896 399953946 /nfs/dbraw/zinc/95/39/46/399953946.db2.gz LMWZBUNTKRJXSG-UHFFFAOYSA-N 1 2 303.406 2.664 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896342 399958501 /nfs/dbraw/zinc/95/85/01/399958501.db2.gz MGGRPXDGFJRWSR-OAHLLOKOSA-N 1 2 302.418 2.639 20 30 DFEDLO C=C1CC(C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000630818632 399934668 /nfs/dbraw/zinc/93/46/68/399934668.db2.gz UXUHYSYDOBDECC-UHFFFAOYSA-N 1 2 300.402 2.814 20 30 DFEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)nn1 ZINC000631637901 400060461 /nfs/dbraw/zinc/06/04/61/400060461.db2.gz GPRBVECFQDPRSC-HNNXBMFYSA-N 1 2 316.405 2.722 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)s1 ZINC000246260422 146134998 /nfs/dbraw/zinc/13/49/98/146134998.db2.gz XBAWMPYESJXVSO-DFBGVHRSSA-N 1 2 304.415 2.926 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000246260422 146135001 /nfs/dbraw/zinc/13/50/01/146135001.db2.gz XBAWMPYESJXVSO-DFBGVHRSSA-N 1 2 304.415 2.926 20 30 DFEDLO CCCCc1[nH]c2ccc(NC(=O)c3cnn(C)c3C#N)cc2[nH+]1 ZINC000355262886 147244474 /nfs/dbraw/zinc/24/44/74/147244474.db2.gz RYQFMUZDAMLKGD-UHFFFAOYSA-N 1 2 322.372 2.763 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])CCC2 ZINC000361186541 149050034 /nfs/dbraw/zinc/05/00/34/149050034.db2.gz DSLWRDXZHBOOFB-ZDUSSCGKSA-N 1 2 311.345 2.961 20 30 DFEDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(C#N)c1 ZINC000361266675 149070454 /nfs/dbraw/zinc/07/04/54/149070454.db2.gz OGGWZAIFJSVYMO-UHFFFAOYSA-N 1 2 321.340 2.975 20 30 DFEDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(C#N)c1 ZINC000361266675 149070457 /nfs/dbraw/zinc/07/04/57/149070457.db2.gz OGGWZAIFJSVYMO-UHFFFAOYSA-N 1 2 321.340 2.975 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361510577 149134784 /nfs/dbraw/zinc/13/47/84/149134784.db2.gz JFHOIWWUODMIAU-MLGOLLRUSA-N 1 2 306.793 2.591 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000361510577 149134786 /nfs/dbraw/zinc/13/47/86/149134786.db2.gz JFHOIWWUODMIAU-MLGOLLRUSA-N 1 2 306.793 2.591 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1F ZINC000361862248 149240634 /nfs/dbraw/zinc/24/06/34/149240634.db2.gz LZCJHYZNDCNHCZ-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cnn4ccccc34)CCO2)c1 ZINC000371461948 150050173 /nfs/dbraw/zinc/05/01/73/150050173.db2.gz AKZPWQGSKWTYMG-LJQANCHMSA-N 1 2 318.380 2.779 20 30 DFEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cnn4ccccc34)CCO2)c1 ZINC000371461948 150050176 /nfs/dbraw/zinc/05/01/76/150050176.db2.gz AKZPWQGSKWTYMG-LJQANCHMSA-N 1 2 318.380 2.779 20 30 DFEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000372837915 150191247 /nfs/dbraw/zinc/19/12/47/150191247.db2.gz DPLVCKAUNNRUQS-UHFFFAOYSA-N 1 2 322.368 2.583 20 30 DFEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000372837915 150191250 /nfs/dbraw/zinc/19/12/50/150191250.db2.gz DPLVCKAUNNRUQS-UHFFFAOYSA-N 1 2 322.368 2.583 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccccc1C#N)C[C@H](C)O2 ZINC000373982207 150287639 /nfs/dbraw/zinc/28/76/39/150287639.db2.gz JUKGWWKVQSPPON-RVKKMQEKSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccccc1C#N)C[C@H](C)O2 ZINC000373982207 150287642 /nfs/dbraw/zinc/28/76/42/150287642.db2.gz JUKGWWKVQSPPON-RVKKMQEKSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccccc1C#N)C[C@H](C)O2 ZINC000373982208 150287649 /nfs/dbraw/zinc/28/76/49/150287649.db2.gz JUKGWWKVQSPPON-VKJFTORMSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccccc1C#N)C[C@H](C)O2 ZINC000373982208 150287653 /nfs/dbraw/zinc/28/76/53/150287653.db2.gz JUKGWWKVQSPPON-VKJFTORMSA-N 1 2 300.402 2.717 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](C)O2 ZINC000374027289 150295829 /nfs/dbraw/zinc/29/58/29/150295829.db2.gz MTDVKZQCFRCJTB-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](C)O2 ZINC000374027289 150295825 /nfs/dbraw/zinc/29/58/25/150295825.db2.gz MTDVKZQCFRCJTB-GLJUWKHASA-N 1 2 318.392 2.856 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2F)cc1 ZINC000374104541 150306157 /nfs/dbraw/zinc/30/61/57/150306157.db2.gz APRBLHNPQYRFFT-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2F)cc1 ZINC000374104541 150306160 /nfs/dbraw/zinc/30/61/60/150306160.db2.gz APRBLHNPQYRFFT-GOSISDBHSA-N 1 2 323.371 2.761 20 30 DFEDLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000374230888 150325912 /nfs/dbraw/zinc/32/59/12/150325912.db2.gz PDHDBDWYBHWMHI-HNNXBMFYSA-N 1 2 308.385 2.620 20 30 DFEDLO CCn1c(C)nnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374309021 150341887 /nfs/dbraw/zinc/34/18/87/150341887.db2.gz LFABGPKXKLVMNI-UHFFFAOYSA-N 1 2 307.401 2.767 20 30 DFEDLO CCn1c(C)nnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374309021 150341890 /nfs/dbraw/zinc/34/18/90/150341890.db2.gz LFABGPKXKLVMNI-UHFFFAOYSA-N 1 2 307.401 2.767 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374376183 150354971 /nfs/dbraw/zinc/35/49/71/150354971.db2.gz BYMGWCIXTFUVSH-SFHVURJKSA-N 1 2 323.371 2.793 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022730 425889082 /nfs/dbraw/zinc/88/90/82/425889082.db2.gz ZXYDEJYQHZLICA-UHFFFAOYSA-N 1 2 310.401 2.815 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(OC)cc1 ZINC000054271962 425889725 /nfs/dbraw/zinc/88/97/25/425889725.db2.gz NJOVSICYOJCPRP-UHFFFAOYSA-N 1 2 315.373 2.618 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(OC)cc1 ZINC000054271962 425889726 /nfs/dbraw/zinc/88/97/26/425889726.db2.gz NJOVSICYOJCPRP-UHFFFAOYSA-N 1 2 315.373 2.618 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)C1=O ZINC000668100266 543739749 /nfs/dbraw/zinc/73/97/49/543739749.db2.gz HEZZROWZPRZRPU-HNNXBMFYSA-N 1 2 318.392 2.586 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)C1=O ZINC000668100266 543739752 /nfs/dbraw/zinc/73/97/52/543739752.db2.gz HEZZROWZPRZRPU-HNNXBMFYSA-N 1 2 318.392 2.586 20 30 DFEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)ccn1 ZINC000676715758 544396125 /nfs/dbraw/zinc/39/61/25/544396125.db2.gz IPYMNABVXYDQIP-UHFFFAOYSA-N 1 2 321.380 2.754 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000677479219 544495424 /nfs/dbraw/zinc/49/54/24/544495424.db2.gz JYDJTKBFDPOYLF-QGZVFWFLSA-N 1 2 313.445 2.658 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000677477689 544495433 /nfs/dbraw/zinc/49/54/33/544495433.db2.gz SPXNLABLWYFUMD-MRXNPFEDSA-N 1 2 323.440 2.657 20 30 DFEDLO COCC#CCSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000677806248 544544539 /nfs/dbraw/zinc/54/45/39/544544539.db2.gz SMAOWJDPRSTGNS-UHFFFAOYSA-N 1 2 324.409 2.617 20 30 DFEDLO C=CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1F ZINC000677678320 544520334 /nfs/dbraw/zinc/52/03/34/544520334.db2.gz HGBMFYWGCYULJH-CQSZACIVSA-N 1 2 311.422 2.639 20 30 DFEDLO C=CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1F ZINC000677678320 544520340 /nfs/dbraw/zinc/52/03/40/544520340.db2.gz HGBMFYWGCYULJH-CQSZACIVSA-N 1 2 311.422 2.639 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000299512740 229169962 /nfs/dbraw/zinc/16/99/62/229169962.db2.gz KAVBHGZTLTZBLC-AATRIKPKSA-N 1 2 306.369 2.701 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)nc3)c[nH+]2)C[C@@H](C)O1 ZINC000301508199 229710492 /nfs/dbraw/zinc/71/04/92/229710492.db2.gz JTYZDWHSXMXJMI-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO Cc1cc(NC2CCN(C(=O)OC(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301751466 229868984 /nfs/dbraw/zinc/86/89/84/229868984.db2.gz AYZOWKLLVLYKIQ-UHFFFAOYSA-N 1 2 316.405 2.991 20 30 DFEDLO Cc1cc(N2CCC[C@H](C3(C)OCCO3)C2)c(C#N)c(C)[nH+]1 ZINC000302118055 230103853 /nfs/dbraw/zinc/10/38/53/230103853.db2.gz COGMFMCNRRJXJN-AWEZNQCLSA-N 1 2 301.390 2.550 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)c2nnc(C)c(C)c2C#N)c1C ZINC000058544840 425898250 /nfs/dbraw/zinc/89/82/50/425898250.db2.gz XRMCZSBAHFSYCY-UHFFFAOYSA-N 1 2 311.389 2.622 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1nccs1)Cc1cccc(C#N)c1 ZINC000063300266 425900541 /nfs/dbraw/zinc/90/05/41/425900541.db2.gz NPKURIMBGUHYRW-UHFFFAOYSA-N 1 2 312.398 2.641 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1nccs1)Cc1cccc(C#N)c1 ZINC000063300266 425900542 /nfs/dbraw/zinc/90/05/42/425900542.db2.gz NPKURIMBGUHYRW-UHFFFAOYSA-N 1 2 312.398 2.641 20 30 DFEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(F)cc1 ZINC000062363728 425899955 /nfs/dbraw/zinc/89/99/55/425899955.db2.gz IWOPGQBKUKTTSX-UHFFFAOYSA-N 1 2 314.360 2.513 20 30 DFEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(F)cc1 ZINC000062363728 425899956 /nfs/dbraw/zinc/89/99/56/425899956.db2.gz IWOPGQBKUKTTSX-UHFFFAOYSA-N 1 2 314.360 2.513 20 30 DFEDLO CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)C[C@@H](C)C#N ZINC000066424777 425904418 /nfs/dbraw/zinc/90/44/18/425904418.db2.gz XOKRZGQFDXAWLG-ZDUSSCGKSA-N 1 2 303.406 2.561 20 30 DFEDLO CC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)C[C@@H](C)C#N ZINC000066424777 425904419 /nfs/dbraw/zinc/90/44/19/425904419.db2.gz XOKRZGQFDXAWLG-ZDUSSCGKSA-N 1 2 303.406 2.561 20 30 DFEDLO C#CC[N@H+](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066539196 425904670 /nfs/dbraw/zinc/90/46/70/425904670.db2.gz WZIBYUTXKUODCG-CQSZACIVSA-N 1 2 319.451 2.524 20 30 DFEDLO C#CC[N@@H+](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066539196 425904671 /nfs/dbraw/zinc/90/46/71/425904671.db2.gz WZIBYUTXKUODCG-CQSZACIVSA-N 1 2 319.451 2.524 20 30 DFEDLO Cc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1C#N ZINC000488146730 269913454 /nfs/dbraw/zinc/91/34/54/269913454.db2.gz IDQOFRMOVZYBDE-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO Cc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1C#N ZINC000488146730 269913455 /nfs/dbraw/zinc/91/34/55/269913455.db2.gz IDQOFRMOVZYBDE-CYBMUJFWSA-N 1 2 311.351 2.935 20 30 DFEDLO C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124560598 425926296 /nfs/dbraw/zinc/92/62/96/425926296.db2.gz UCEHSXGKZBQUJU-YJBOKZPZSA-N 1 2 322.412 2.797 20 30 DFEDLO N#Cc1cccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000155878706 425929348 /nfs/dbraw/zinc/92/93/48/425929348.db2.gz RVDWIZOQYQIFKS-INIZCTEOSA-N 1 2 321.384 2.744 20 30 DFEDLO COc1ccnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000424191683 270000871 /nfs/dbraw/zinc/00/08/71/270000871.db2.gz QRBFINNGKHRQEB-UHFFFAOYSA-N 1 2 322.290 2.665 20 30 DFEDLO Cc1cc(N(C)Cc2cc(Br)cn2C)c(C#N)c[nH+]1 ZINC000425245914 270000922 /nfs/dbraw/zinc/00/09/22/270000922.db2.gz XJFIBXNSEHBVML-UHFFFAOYSA-N 1 2 319.206 2.999 20 30 DFEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000453235695 270001619 /nfs/dbraw/zinc/00/16/19/270001619.db2.gz MQSFXSAQXXJLCD-AEFFLSMTSA-N 1 2 320.396 2.537 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156638985 425935903 /nfs/dbraw/zinc/93/59/03/425935903.db2.gz KTHHQBYTNYQTSH-OAHLLOKOSA-N 1 2 300.793 2.657 20 30 DFEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156638985 425935907 /nfs/dbraw/zinc/93/59/07/425935907.db2.gz KTHHQBYTNYQTSH-OAHLLOKOSA-N 1 2 300.793 2.657 20 30 DFEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000103138588 425936744 /nfs/dbraw/zinc/93/67/44/425936744.db2.gz QGPBYNWOBZLLFG-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000152644707 266142887 /nfs/dbraw/zinc/14/28/87/266142887.db2.gz MTBWAVVQMICBIT-UHFFFAOYSA-N 1 2 321.789 2.822 20 30 DFEDLO CC[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347967088 266370070 /nfs/dbraw/zinc/37/00/70/266370070.db2.gz QGQFCNWDRYRQOJ-CYBMUJFWSA-N 1 2 300.387 2.641 20 30 DFEDLO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352909144 266847207 /nfs/dbraw/zinc/84/72/07/266847207.db2.gz YIYZPILRQAUFCF-CYBMUJFWSA-N 1 2 303.362 2.940 20 30 DFEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439438460 267024606 /nfs/dbraw/zinc/02/46/06/267024606.db2.gz LEUMKNLIBUYPOV-UHFFFAOYSA-N 1 2 307.825 2.950 20 30 DFEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439438460 267024607 /nfs/dbraw/zinc/02/46/07/267024607.db2.gz LEUMKNLIBUYPOV-UHFFFAOYSA-N 1 2 307.825 2.950 20 30 DFEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000348327834 267060158 /nfs/dbraw/zinc/06/01/58/267060158.db2.gz XYNGFIBNZKJQND-XWIAVFTESA-N 1 2 305.381 2.778 20 30 DFEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000348327834 267060161 /nfs/dbraw/zinc/06/01/61/267060161.db2.gz XYNGFIBNZKJQND-XWIAVFTESA-N 1 2 305.381 2.778 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccn3)c[nH+]2)C[C@H](C)O1 ZINC000341527358 267062434 /nfs/dbraw/zinc/06/24/34/267062434.db2.gz DUHIOMGWEJGFRY-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347127252 267106147 /nfs/dbraw/zinc/10/61/47/267106147.db2.gz USCCPWCGXRNWLG-ZYHUDNBSSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347127252 267106150 /nfs/dbraw/zinc/10/61/50/267106150.db2.gz USCCPWCGXRNWLG-ZYHUDNBSSA-N 1 2 309.207 2.523 20 30 DFEDLO CC[C@H](F)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000440692166 267215617 /nfs/dbraw/zinc/21/56/17/267215617.db2.gz KBBQNDXFLXPDPN-HNNXBMFYSA-N 1 2 312.392 2.977 20 30 DFEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000493624130 267256279 /nfs/dbraw/zinc/25/62/79/267256279.db2.gz SDWWPNXCAWXTOZ-FPLPWBNLSA-N 1 2 317.352 2.975 20 30 DFEDLO CN(C)c1ccccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459611441 267294257 /nfs/dbraw/zinc/29/42/57/267294257.db2.gz LDIYSWYEVXMRHA-UHFFFAOYSA-N 1 2 307.397 2.887 20 30 DFEDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000507509638 267295354 /nfs/dbraw/zinc/29/53/54/267295354.db2.gz UJGRBHTUWUIXDN-UHFFFAOYSA-N 1 2 300.749 2.925 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493394545 267322182 /nfs/dbraw/zinc/32/21/82/267322182.db2.gz SHGNKQCSBGPDKY-MDZDMXLPSA-N 1 2 320.396 2.763 20 30 DFEDLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(N2CCCC2)n1 ZINC000353222469 267325677 /nfs/dbraw/zinc/32/56/77/267325677.db2.gz GYBZKRDTPLGLND-UHFFFAOYSA-N 1 2 313.430 2.608 20 30 DFEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000007017705 425635209 /nfs/dbraw/zinc/63/52/09/425635209.db2.gz JZJYYZFUEUJDCK-INIZCTEOSA-N 1 2 305.809 2.580 20 30 DFEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000007017705 425635214 /nfs/dbraw/zinc/63/52/14/425635214.db2.gz JZJYYZFUEUJDCK-INIZCTEOSA-N 1 2 305.809 2.580 20 30 DFEDLO N#Cc1cc(NC(=O)NCc2cn3ccccc3[nH+]2)ccc1F ZINC000343171942 268010814 /nfs/dbraw/zinc/01/08/14/268010814.db2.gz KQWBESMJGGVJCF-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO Cc1cc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)ccc1C#N ZINC000424211699 268014786 /nfs/dbraw/zinc/01/47/86/268014786.db2.gz YCWRGPGCMHQQIJ-UHFFFAOYSA-N 1 2 303.387 2.618 20 30 DFEDLO Cc1ccn2cc(CNC(=O)c3ccc(F)c(C#N)c3)[nH+]c2c1 ZINC000507546618 268062643 /nfs/dbraw/zinc/06/26/43/268062643.db2.gz HKPMKRJWWIZPEK-UHFFFAOYSA-N 1 2 308.316 2.584 20 30 DFEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)nnc3ccccc31)CCC2 ZINC000443885812 268069566 /nfs/dbraw/zinc/06/95/66/268069566.db2.gz BEULVKPCXHJYGG-CYBMUJFWSA-N 1 2 318.384 2.996 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)nc1 ZINC000193853594 268118965 /nfs/dbraw/zinc/11/89/65/268118965.db2.gz UFHKBQDVCVAUEP-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000448580421 268218979 /nfs/dbraw/zinc/21/89/79/268218979.db2.gz YIOGQSRDRVEMGN-QYZOEREBSA-N 1 2 323.440 2.639 20 30 DFEDLO N#Cc1ccc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000514989435 268219076 /nfs/dbraw/zinc/21/90/76/268219076.db2.gz MMJUUFGJUVWTRU-KRWDZBQOSA-N 1 2 307.401 2.892 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000421737710 268221353 /nfs/dbraw/zinc/22/13/53/268221353.db2.gz MQVOGNPVHVBEIO-GUDVDZBRSA-N 1 2 323.440 2.639 20 30 DFEDLO CC(=O)N1CC[N@H+](Cc2ccccc2C#N)CC12CCCCC2 ZINC000270843151 268225442 /nfs/dbraw/zinc/22/54/42/268225442.db2.gz GGLBNPPTXSQEII-UHFFFAOYSA-N 1 2 311.429 2.925 20 30 DFEDLO CC(=O)N1CC[N@@H+](Cc2ccccc2C#N)CC12CCCCC2 ZINC000270843151 268225444 /nfs/dbraw/zinc/22/54/44/268225444.db2.gz GGLBNPPTXSQEII-UHFFFAOYSA-N 1 2 311.429 2.925 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncc3F)CC2)c(F)c1 ZINC000449018735 268234368 /nfs/dbraw/zinc/23/43/68/268234368.db2.gz KXTSCWOZEYYZDM-UHFFFAOYSA-N 1 2 314.339 2.554 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000174579148 268247953 /nfs/dbraw/zinc/24/79/53/268247953.db2.gz FMGZFEWSONEDKW-HXUWFJFHSA-N 1 2 316.408 2.941 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1F ZINC000352417387 268248065 /nfs/dbraw/zinc/24/80/65/268248065.db2.gz ZQQRBNPKOHNJNE-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1F ZINC000352417387 268248066 /nfs/dbraw/zinc/24/80/66/268248066.db2.gz ZQQRBNPKOHNJNE-CQSZACIVSA-N 1 2 304.756 2.994 20 30 DFEDLO N#Cc1ccc([C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)C(N)=O)cc1 ZINC000528663398 268262878 /nfs/dbraw/zinc/26/28/78/268262878.db2.gz ZGJDZZCWCCFGTR-ZWKOTPCHSA-N 1 2 320.396 2.611 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000459496441 268290782 /nfs/dbraw/zinc/29/07/82/268290782.db2.gz XMTDHWZESJOUIX-HNNXBMFYSA-N 1 2 315.373 2.715 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000459496441 268290784 /nfs/dbraw/zinc/29/07/84/268290784.db2.gz XMTDHWZESJOUIX-HNNXBMFYSA-N 1 2 315.373 2.715 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)c1 ZINC000349976883 268294146 /nfs/dbraw/zinc/29/41/46/268294146.db2.gz XLXDKAUVYJAJTB-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO N#Cc1cnc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000428021704 268308527 /nfs/dbraw/zinc/30/85/27/268308527.db2.gz GFNMLJYXBTXMQT-GFCCVEGCSA-N 1 2 315.764 2.697 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000049655397 425879987 /nfs/dbraw/zinc/87/99/87/425879987.db2.gz PJMBUIRKMGIOGR-UHFFFAOYSA-N 1 2 318.380 2.875 20 30 DFEDLO C=C(Br)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000157647700 425939260 /nfs/dbraw/zinc/93/92/60/425939260.db2.gz PXYMZEBQOZEOGH-UHFFFAOYSA-N 1 2 319.243 2.884 20 30 DFEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC)ccc1OC ZINC000124828534 425939950 /nfs/dbraw/zinc/93/99/50/425939950.db2.gz HNXPBLLNTINBLJ-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC)ccc1OC ZINC000124828534 425939953 /nfs/dbraw/zinc/93/99/53/425939953.db2.gz HNXPBLLNTINBLJ-OAHLLOKOSA-N 1 2 319.401 2.788 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158073734 425941368 /nfs/dbraw/zinc/94/13/68/425941368.db2.gz JYWDOUFSUJZNMT-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000158073734 425941370 /nfs/dbraw/zinc/94/13/70/425941370.db2.gz JYWDOUFSUJZNMT-ACJLOTCBSA-N 1 2 317.408 2.627 20 30 DFEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000103488512 425950231 /nfs/dbraw/zinc/95/02/31/425950231.db2.gz DXXGBAVARWZPQT-UHFFFAOYSA-N 1 2 301.724 2.737 20 30 DFEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000103488512 425950234 /nfs/dbraw/zinc/95/02/34/425950234.db2.gz DXXGBAVARWZPQT-UHFFFAOYSA-N 1 2 301.724 2.737 20 30 DFEDLO Cc1cccn2c(CN(CCC#N)Cc3cccnc3)c[nH+]c12 ZINC000159055433 425954314 /nfs/dbraw/zinc/95/43/14/425954314.db2.gz YRAOGAGHNNPDDQ-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000105010217 425966348 /nfs/dbraw/zinc/96/63/48/425966348.db2.gz MPXBTOFNLWMENL-UHFFFAOYSA-N 1 2 317.433 2.949 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125349056 425967781 /nfs/dbraw/zinc/96/77/81/425967781.db2.gz XXDAHQVLMLKNAL-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125349056 425967784 /nfs/dbraw/zinc/96/77/84/425967784.db2.gz XXDAHQVLMLKNAL-KRWDZBQOSA-N 1 2 306.369 2.729 20 30 DFEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126617415 426028627 /nfs/dbraw/zinc/02/86/27/426028627.db2.gz AXBNFWFIACZIRY-LJQANCHMSA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126617415 426028630 /nfs/dbraw/zinc/02/86/30/426028630.db2.gz AXBNFWFIACZIRY-LJQANCHMSA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1ccc([C@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000127095579 426050611 /nfs/dbraw/zinc/05/06/11/426050611.db2.gz BXKLNYHMUVWNNG-GOSISDBHSA-N 1 2 321.380 2.566 20 30 DFEDLO N#Cc1ccc([C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000127095350 426050626 /nfs/dbraw/zinc/05/06/26/426050626.db2.gz BXKLNYHMUVWNNG-SFHVURJKSA-N 1 2 321.380 2.566 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)c1 ZINC000126214180 426010202 /nfs/dbraw/zinc/01/02/02/426010202.db2.gz OJARCABXOQMNNM-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1cccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)c1 ZINC000126214180 426010204 /nfs/dbraw/zinc/01/02/04/426010204.db2.gz OJARCABXOQMNNM-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO Cc1ccccc1CNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072691603 426019640 /nfs/dbraw/zinc/01/96/40/426019640.db2.gz GJBOPAMTPRAWGJ-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO Cc1ccccc1CNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072691603 426019642 /nfs/dbraw/zinc/01/96/42/426019642.db2.gz GJBOPAMTPRAWGJ-UHFFFAOYSA-N 1 2 301.434 2.873 20 30 DFEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)c1 ZINC000126482398 426022180 /nfs/dbraw/zinc/02/21/80/426022180.db2.gz MUHVYNMTGMEOKB-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)c1 ZINC000126482398 426022184 /nfs/dbraw/zinc/02/21/84/426022184.db2.gz MUHVYNMTGMEOKB-AWEZNQCLSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1cccs1 ZINC000076650722 426116433 /nfs/dbraw/zinc/11/64/33/426116433.db2.gz GXEZYDWLIBGNBT-CQSZACIVSA-N 1 2 305.447 2.744 20 30 DFEDLO C=CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1cccs1 ZINC000076650722 426116437 /nfs/dbraw/zinc/11/64/37/426116437.db2.gz GXEZYDWLIBGNBT-CQSZACIVSA-N 1 2 305.447 2.744 20 30 DFEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000128485977 426119342 /nfs/dbraw/zinc/11/93/42/426119342.db2.gz VAQMVEOJUUAANF-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000128485977 426119345 /nfs/dbraw/zinc/11/93/45/426119345.db2.gz VAQMVEOJUUAANF-UHFFFAOYSA-N 1 2 301.346 2.740 20 30 DFEDLO C=C[C@@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000128504703 426120568 /nfs/dbraw/zinc/12/05/68/426120568.db2.gz AEZZMQPGVACDFC-OAHLLOKOSA-N 1 2 312.417 2.890 20 30 DFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114125409 426127609 /nfs/dbraw/zinc/12/76/09/426127609.db2.gz SXTGPSDFSADYAK-UHFFFAOYSA-N 1 2 302.337 2.878 20 30 DFEDLO NC(=O)C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000128701611 426129795 /nfs/dbraw/zinc/12/97/95/426129795.db2.gz IAJUUSUADQFQCD-UHFFFAOYSA-N 1 2 312.800 2.679 20 30 DFEDLO NC(=O)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000128701611 426129798 /nfs/dbraw/zinc/12/97/98/426129798.db2.gz IAJUUSUADQFQCD-UHFFFAOYSA-N 1 2 312.800 2.679 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000112560430 426083158 /nfs/dbraw/zinc/08/31/58/426083158.db2.gz FJGYZGXEWVVAKQ-MRXNPFEDSA-N 1 2 308.385 2.845 20 30 DFEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000112643670 426086770 /nfs/dbraw/zinc/08/67/70/426086770.db2.gz VQGBVSVAACEASM-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000112643670 426086773 /nfs/dbraw/zinc/08/67/73/426086773.db2.gz VQGBVSVAACEASM-WDEREUQCSA-N 1 2 323.849 2.976 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130135649 426147959 /nfs/dbraw/zinc/14/79/59/426147959.db2.gz QQNQIUMJLVUKGP-GUYCJALGSA-N 1 2 308.385 2.787 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000130226580 426151103 /nfs/dbraw/zinc/15/11/03/426151103.db2.gz JSWYYPICECFFBR-UHFFFAOYSA-N 1 2 319.474 2.946 20 30 DFEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000130226580 426151106 /nfs/dbraw/zinc/15/11/06/426151106.db2.gz JSWYYPICECFFBR-UHFFFAOYSA-N 1 2 319.474 2.946 20 30 DFEDLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595813 426169182 /nfs/dbraw/zinc/16/91/82/426169182.db2.gz KJALLMIOHOMWGN-FZKQIMNGSA-N 1 2 323.396 2.753 20 30 DFEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000078642968 426179738 /nfs/dbraw/zinc/17/97/38/426179738.db2.gz MTNRHNNKPKAMKK-UHFFFAOYSA-N 1 2 304.438 2.591 20 30 DFEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 ZINC000078642968 426179740 /nfs/dbraw/zinc/17/97/40/426179740.db2.gz MTNRHNNKPKAMKK-UHFFFAOYSA-N 1 2 304.438 2.591 20 30 DFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000116803017 426197202 /nfs/dbraw/zinc/19/72/02/426197202.db2.gz HFCWCCMZYWTSKV-CXAGYDPISA-N 1 2 317.458 2.695 20 30 DFEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000116803017 426197205 /nfs/dbraw/zinc/19/72/05/426197205.db2.gz HFCWCCMZYWTSKV-CXAGYDPISA-N 1 2 317.458 2.695 20 30 DFEDLO Cc1cc(C)c(CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000081515422 426222519 /nfs/dbraw/zinc/22/25/19/426222519.db2.gz WEDFOFLEYJUMPU-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO Cc1cc(C)c(C[N@H+](CCC#N)CCN2CCOCC2)c(C)c1 ZINC000081515422 426222522 /nfs/dbraw/zinc/22/25/22/426222522.db2.gz WEDFOFLEYJUMPU-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO Cc1cc(C)c(C[N@@H+](CCC#N)CCN2CCOCC2)c(C)c1 ZINC000081515422 426222525 /nfs/dbraw/zinc/22/25/25/426222525.db2.gz WEDFOFLEYJUMPU-UHFFFAOYSA-N 1 2 315.461 2.660 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000136060639 426234731 /nfs/dbraw/zinc/23/47/31/426234731.db2.gz DFBHCMDPMHXWEB-GFCCVEGCSA-N 1 2 313.243 2.947 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000136060639 426234734 /nfs/dbraw/zinc/23/47/34/426234734.db2.gz DFBHCMDPMHXWEB-GFCCVEGCSA-N 1 2 313.243 2.947 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000118395235 426235562 /nfs/dbraw/zinc/23/55/62/426235562.db2.gz GPFTYQIDJVDDDN-MRXNPFEDSA-N 1 2 315.392 2.865 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000118398277 426235568 /nfs/dbraw/zinc/23/55/68/426235568.db2.gz HFLREUOSFMTMAO-MRXNPFEDSA-N 1 2 323.444 2.561 20 30 DFEDLO C[C@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000118398277 426235569 /nfs/dbraw/zinc/23/55/69/426235569.db2.gz HFLREUOSFMTMAO-MRXNPFEDSA-N 1 2 323.444 2.561 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000118952129 426251675 /nfs/dbraw/zinc/25/16/75/426251675.db2.gz VGXFOYYHFAJJIB-INIZCTEOSA-N 1 2 323.396 2.655 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000080907670 426217493 /nfs/dbraw/zinc/21/74/93/426217493.db2.gz GLDMNIAOAOKVAN-HXUWFJFHSA-N 1 2 316.408 2.941 20 30 DFEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000175548210 426312991 /nfs/dbraw/zinc/31/29/91/426312991.db2.gz VRZOYFXXXGUUPM-UHFFFAOYSA-N 1 2 302.418 2.696 20 30 DFEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000175122472 426280298 /nfs/dbraw/zinc/28/02/98/426280298.db2.gz DGNFBCHOFFHSCH-UHFFFAOYSA-N 1 2 320.408 2.835 20 30 DFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000119359588 426281332 /nfs/dbraw/zinc/28/13/32/426281332.db2.gz JSRGZVFDZWRKKN-MRXNPFEDSA-N 1 2 311.410 2.857 20 30 DFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000119359588 426281335 /nfs/dbraw/zinc/28/13/35/426281335.db2.gz JSRGZVFDZWRKKN-MRXNPFEDSA-N 1 2 311.410 2.857 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000093417038 426357018 /nfs/dbraw/zinc/35/70/18/426357018.db2.gz KKYYUHCGQNTVCR-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CCOc1ccccc1C[N@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000093417038 426357020 /nfs/dbraw/zinc/35/70/20/426357020.db2.gz KKYYUHCGQNTVCR-CQSZACIVSA-N 1 2 311.447 2.506 20 30 DFEDLO CCCc1noc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000122217733 426364567 /nfs/dbraw/zinc/36/45/67/426364567.db2.gz YPEKGGLXASCGIS-UHFFFAOYSA-N 1 2 308.769 2.707 20 30 DFEDLO C=C[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000123130778 426415002 /nfs/dbraw/zinc/41/50/02/426415002.db2.gz CRJUWPGBIXTKTM-MRXNPFEDSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000123130950 426415311 /nfs/dbraw/zinc/41/53/11/426415311.db2.gz CRJUWPGBIXTKTM-INIZCTEOSA-N 1 2 316.445 2.573 20 30 DFEDLO N#CCC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000154187493 426429738 /nfs/dbraw/zinc/42/97/38/426429738.db2.gz LUYCMBHOFUCXMI-NVXWUHKLSA-N 1 2 308.385 2.607 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000155274449 426468230 /nfs/dbraw/zinc/46/82/30/426468230.db2.gz DJANLGISSGQLJN-BBRMVZONSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](CC)C[C@@H](C)C#N ZINC000155274449 426468232 /nfs/dbraw/zinc/46/82/32/426468232.db2.gz DJANLGISSGQLJN-BBRMVZONSA-N 1 2 303.406 2.894 20 30 DFEDLO C=CCCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280214520 426522327 /nfs/dbraw/zinc/52/23/27/426522327.db2.gz WKZBJTBIHLKYDS-UHFFFAOYSA-N 1 2 303.406 2.607 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186437730 426528045 /nfs/dbraw/zinc/52/80/45/426528045.db2.gz CDWFQQPWVBBUJP-UHFFFAOYSA-N 1 2 320.396 2.614 20 30 DFEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280248576 426530066 /nfs/dbraw/zinc/53/00/66/426530066.db2.gz BIECMIQJVYBHQH-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280248576 426530073 /nfs/dbraw/zinc/53/00/73/426530073.db2.gz BIECMIQJVYBHQH-PBHICJAKSA-N 1 2 305.805 2.571 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195055198 426500441 /nfs/dbraw/zinc/50/04/41/426500441.db2.gz BVEPGMHQOXLBNG-OCCSQVGLSA-N 1 2 301.415 2.513 20 30 DFEDLO N#CCCCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000264150539 426504237 /nfs/dbraw/zinc/50/42/37/426504237.db2.gz SVBIXLRUCQTXFC-UHFFFAOYSA-N 1 2 315.421 2.565 20 30 DFEDLO N#CC1(C(=O)NCCCCNc2cccc[nH+]2)CCCCC1 ZINC000264542455 426570927 /nfs/dbraw/zinc/57/09/27/426570927.db2.gz ODBAUBXRJFFYSO-UHFFFAOYSA-N 1 2 300.406 2.864 20 30 DFEDLO Cn1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1C#N ZINC000289099554 426584066 /nfs/dbraw/zinc/58/40/66/426584066.db2.gz CAGMKPFPQBYCLA-UHFFFAOYSA-N 1 2 313.386 2.640 20 30 DFEDLO Cn1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1C#N ZINC000289099554 426584068 /nfs/dbraw/zinc/58/40/68/426584068.db2.gz CAGMKPFPQBYCLA-UHFFFAOYSA-N 1 2 313.386 2.640 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178219154 426587920 /nfs/dbraw/zinc/58/79/20/426587920.db2.gz RFBHGKXOIVIVAY-UHFFFAOYSA-N 1 2 309.304 2.667 20 30 DFEDLO C=CC[N@@H+](CCS(=O)(=O)C(C)C)Cc1ccc(OC)cc1 ZINC000178213966 426588762 /nfs/dbraw/zinc/58/87/62/426588762.db2.gz OXLYTARYCTVSHM-UHFFFAOYSA-N 1 2 311.447 2.506 20 30 DFEDLO C=CC[N@H+](CCS(=O)(=O)C(C)C)Cc1ccc(OC)cc1 ZINC000178213966 426588769 /nfs/dbraw/zinc/58/87/69/426588769.db2.gz OXLYTARYCTVSHM-UHFFFAOYSA-N 1 2 311.447 2.506 20 30 DFEDLO CC(C)[N@H+](CCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000178216695 426589166 /nfs/dbraw/zinc/58/91/66/426589166.db2.gz SXGURBGBDKZABE-UHFFFAOYSA-N 1 2 308.447 2.592 20 30 DFEDLO CC(C)[N@@H+](CCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000178216695 426589173 /nfs/dbraw/zinc/58/91/73/426589173.db2.gz SXGURBGBDKZABE-UHFFFAOYSA-N 1 2 308.447 2.592 20 30 DFEDLO C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccc(C#N)cc1 ZINC000289164598 426596513 /nfs/dbraw/zinc/59/65/13/426596513.db2.gz DTKPLAPXSOFECF-NSHDSACASA-N 1 2 315.398 2.911 20 30 DFEDLO N#Cc1ccc(SCC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178360993 426614436 /nfs/dbraw/zinc/61/44/36/426614436.db2.gz IPKCVGQJXSOYEN-UHFFFAOYSA-N 1 2 322.393 2.614 20 30 DFEDLO Cc1nsc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C#N ZINC000289365549 426639312 /nfs/dbraw/zinc/63/93/12/426639312.db2.gz APVBGIXWMNQFOR-UHFFFAOYSA-N 1 2 323.425 2.517 20 30 DFEDLO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c(C#N)c1C ZINC000265477992 426643667 /nfs/dbraw/zinc/64/36/67/426643667.db2.gz KCEKIFJFACYGOQ-UHFFFAOYSA-N 1 2 318.402 2.688 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000178677756 426674861 /nfs/dbraw/zinc/67/48/61/426674861.db2.gz HVANQRHFTXEOEX-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000178677756 426674866 /nfs/dbraw/zinc/67/48/66/426674866.db2.gz HVANQRHFTXEOEX-UHFFFAOYSA-N 1 2 309.369 2.637 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273533048 426679767 /nfs/dbraw/zinc/67/97/67/426679767.db2.gz TWOFTFROXKLUBO-HNNXBMFYSA-N 1 2 308.422 2.544 20 30 DFEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000281331531 426715038 /nfs/dbraw/zinc/71/50/38/426715038.db2.gz LIDXFDPRUNJZJN-LLVKDONJSA-N 1 2 318.343 2.942 20 30 DFEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CC1 ZINC000274498807 426779796 /nfs/dbraw/zinc/77/97/96/426779796.db2.gz RDJROCSYUGQLAN-UHFFFAOYSA-N 1 2 300.793 2.733 20 30 DFEDLO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CC1 ZINC000274498807 426779801 /nfs/dbraw/zinc/77/98/01/426779801.db2.gz RDJROCSYUGQLAN-UHFFFAOYSA-N 1 2 300.793 2.733 20 30 DFEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)c(C)c1 ZINC000266209777 426723293 /nfs/dbraw/zinc/72/32/93/426723293.db2.gz NQEQXKOKJKIVIT-CQSZACIVSA-N 1 2 321.421 2.592 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)C1CC1 ZINC000274201450 426724468 /nfs/dbraw/zinc/72/44/68/426724468.db2.gz ROBFZRNISCVYDX-UHFFFAOYSA-N 1 2 321.218 2.794 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)C1CC1 ZINC000274201450 426724469 /nfs/dbraw/zinc/72/44/69/426724469.db2.gz ROBFZRNISCVYDX-UHFFFAOYSA-N 1 2 321.218 2.794 20 30 DFEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000281683172 426745314 /nfs/dbraw/zinc/74/53/14/426745314.db2.gz ROSQZNBQXQVICV-UHFFFAOYSA-N 1 2 323.444 2.966 20 30 DFEDLO CC[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000267079518 426821062 /nfs/dbraw/zinc/82/10/62/426821062.db2.gz MMUVBSPTKAJONJ-UHFFFAOYSA-N 1 2 311.179 2.913 20 30 DFEDLO CC[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000267079518 426821066 /nfs/dbraw/zinc/82/10/66/426821066.db2.gz MMUVBSPTKAJONJ-UHFFFAOYSA-N 1 2 311.179 2.913 20 30 DFEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000274746805 426830355 /nfs/dbraw/zinc/83/03/55/426830355.db2.gz DRCFQURTAOMWHN-HIFRSBDPSA-N 1 2 310.401 2.540 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246429365 426833447 /nfs/dbraw/zinc/83/34/47/426833447.db2.gz SSQAVXFAFCWCRK-VQIMIIECSA-N 1 2 324.428 2.834 20 30 DFEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246429365 426833451 /nfs/dbraw/zinc/83/34/51/426833451.db2.gz SSQAVXFAFCWCRK-VQIMIIECSA-N 1 2 324.428 2.834 20 30 DFEDLO CCC1(CC)CN(C[N@H+](C)Cc2ccc(C#N)cc2)C(=O)O1 ZINC000180230190 426846891 /nfs/dbraw/zinc/84/68/91/426846891.db2.gz LPYKCUMMSAHVDO-UHFFFAOYSA-N 1 2 301.390 2.959 20 30 DFEDLO CCC1(CC)CN(C[N@@H+](C)Cc2ccc(C#N)cc2)C(=O)O1 ZINC000180230190 426846896 /nfs/dbraw/zinc/84/68/96/426846896.db2.gz LPYKCUMMSAHVDO-UHFFFAOYSA-N 1 2 301.390 2.959 20 30 DFEDLO CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc21 ZINC000180688169 426879626 /nfs/dbraw/zinc/87/96/26/426879626.db2.gz SEIXGTGHQQACRZ-UHFFFAOYSA-N 1 2 303.369 2.662 20 30 DFEDLO CCCOc1ccc(/C=N/OCc2c[nH+]cn2C)cc1OC ZINC000267823319 426886737 /nfs/dbraw/zinc/88/67/37/426886737.db2.gz YFDUUBQEZJHJTG-GIJQJNRQSA-N 1 2 303.362 2.768 20 30 DFEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccncc1 ZINC000267909665 426889285 /nfs/dbraw/zinc/88/92/85/426889285.db2.gz NYFHOZVZHBOWAQ-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccncc1 ZINC000267909665 426889292 /nfs/dbraw/zinc/88/92/92/426889292.db2.gz NYFHOZVZHBOWAQ-UHFFFAOYSA-N 1 2 322.412 2.850 20 30 DFEDLO C=CCCC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275693683 426900220 /nfs/dbraw/zinc/90/02/20/426900220.db2.gz MYUVEHMBIYQGER-AWEZNQCLSA-N 1 2 319.474 2.922 20 30 DFEDLO C=CCCC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275693683 426900228 /nfs/dbraw/zinc/90/02/28/426900228.db2.gz MYUVEHMBIYQGER-AWEZNQCLSA-N 1 2 319.474 2.922 20 30 DFEDLO C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268238848 426961051 /nfs/dbraw/zinc/96/10/51/426961051.db2.gz HABILQMRXKIXBG-MLGOLLRUSA-N 1 2 311.345 2.750 20 30 DFEDLO CCc1nnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000268259197 426967255 /nfs/dbraw/zinc/96/72/55/426967255.db2.gz MCMMTODRGNGOKW-DYVFJYSZSA-N 1 2 324.432 2.757 20 30 DFEDLO C[C@H](NC(=O)C1CCC(=O)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000328618793 426980994 /nfs/dbraw/zinc/98/09/94/426980994.db2.gz VJJKAGFWJBRPCC-AWEZNQCLSA-N 1 2 322.449 2.736 20 30 DFEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1cn2ccccc2[nH+]1 ZINC000328688413 426988544 /nfs/dbraw/zinc/98/85/44/426988544.db2.gz ZWNMCDGFFBAIEO-ZDUSSCGKSA-N 1 2 309.373 2.644 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000329165346 427057088 /nfs/dbraw/zinc/05/70/88/427057088.db2.gz HLTQQJWZJCDZGQ-LBPRGKRZSA-N 1 2 321.450 2.739 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000329165346 427057097 /nfs/dbraw/zinc/05/70/97/427057097.db2.gz HLTQQJWZJCDZGQ-LBPRGKRZSA-N 1 2 321.450 2.739 20 30 DFEDLO Cc1cccc([C@@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)c1 ZINC000283699110 427058344 /nfs/dbraw/zinc/05/83/44/427058344.db2.gz ZXBGFAISQLXOSE-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000268584033 427059865 /nfs/dbraw/zinc/05/98/65/427059865.db2.gz UFZIJGMDBZKWOC-KBPBESRZSA-N 1 2 311.426 2.562 20 30 DFEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000268584033 427059872 /nfs/dbraw/zinc/05/98/72/427059872.db2.gz UFZIJGMDBZKWOC-KBPBESRZSA-N 1 2 311.426 2.562 20 30 DFEDLO C=CCCN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000276149828 426995616 /nfs/dbraw/zinc/99/56/16/426995616.db2.gz PQCXEHQWTGEJIP-UHFFFAOYSA-N 1 2 312.417 2.843 20 30 DFEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000328765073 426995641 /nfs/dbraw/zinc/99/56/41/426995641.db2.gz DWVOBAOLIRNRKJ-IJLUTSLNSA-N 1 2 307.419 2.816 20 30 DFEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000328765073 426995648 /nfs/dbraw/zinc/99/56/48/426995648.db2.gz DWVOBAOLIRNRKJ-IJLUTSLNSA-N 1 2 307.419 2.816 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000276191210 427004227 /nfs/dbraw/zinc/00/42/27/427004227.db2.gz XEIQKWKGQFGTAC-HOTGVXAUSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000276191210 427004231 /nfs/dbraw/zinc/00/42/31/427004231.db2.gz XEIQKWKGQFGTAC-HOTGVXAUSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1OC ZINC000190038010 427005125 /nfs/dbraw/zinc/00/51/25/427005125.db2.gz REULZMZMFSMPAK-GOSISDBHSA-N 1 2 317.385 2.542 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1OC ZINC000190038010 427005132 /nfs/dbraw/zinc/00/51/32/427005132.db2.gz REULZMZMFSMPAK-GOSISDBHSA-N 1 2 317.385 2.542 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000328935787 427014401 /nfs/dbraw/zinc/01/44/01/427014401.db2.gz FQYPCVNHUVQUNK-NUEKZKHPSA-N 1 2 302.422 2.512 20 30 DFEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000328935787 427014405 /nfs/dbraw/zinc/01/44/05/427014405.db2.gz FQYPCVNHUVQUNK-NUEKZKHPSA-N 1 2 302.422 2.512 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291923035 427027048 /nfs/dbraw/zinc/02/70/48/427027048.db2.gz SJQQNOCDFAAWKW-GFCCVEGCSA-N 1 2 300.736 2.661 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291923035 427027057 /nfs/dbraw/zinc/02/70/57/427027057.db2.gz SJQQNOCDFAAWKW-GFCCVEGCSA-N 1 2 300.736 2.661 20 30 DFEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)n1 ZINC000329044178 427029929 /nfs/dbraw/zinc/02/99/29/427029929.db2.gz PFSVJDBLKAGXHK-LLVKDONJSA-N 1 2 304.325 2.595 20 30 DFEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)n1 ZINC000329044178 427029933 /nfs/dbraw/zinc/02/99/33/427029933.db2.gz PFSVJDBLKAGXHK-LLVKDONJSA-N 1 2 304.325 2.595 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCCCO1)C1CCOCC1 ZINC000329062861 427038000 /nfs/dbraw/zinc/03/80/00/427038000.db2.gz OBGZGGDGACBRTI-GOEBONIOSA-N 1 2 321.421 2.804 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248737061 427038514 /nfs/dbraw/zinc/03/85/14/427038514.db2.gz CGLUTOFFYBPRGC-NVXWUHKLSA-N 1 2 306.356 2.630 20 30 DFEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248737061 427038521 /nfs/dbraw/zinc/03/85/21/427038521.db2.gz CGLUTOFFYBPRGC-NVXWUHKLSA-N 1 2 306.356 2.630 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1CCCC1)C2 ZINC000329292785 427083590 /nfs/dbraw/zinc/08/35/90/427083590.db2.gz RHOLPAOIDHLBSV-ZDUSSCGKSA-N 1 2 304.438 2.942 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1CCCC1)C2 ZINC000329292785 427083596 /nfs/dbraw/zinc/08/35/96/427083596.db2.gz RHOLPAOIDHLBSV-ZDUSSCGKSA-N 1 2 304.438 2.942 20 30 DFEDLO CN(Cc1[nH+]ccn1C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329316312 427090790 /nfs/dbraw/zinc/09/07/90/427090790.db2.gz QPGNIMVEBSOTJR-UHFFFAOYSA-N 1 2 302.422 2.591 20 30 DFEDLO O=C(Nc1cccc2c1OCO2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329319500 427091160 /nfs/dbraw/zinc/09/11/60/427091160.db2.gz GAPCFMSLLHZRLU-UHFFFAOYSA-N 1 2 314.345 2.564 20 30 DFEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c[nH+]cn1C ZINC000276546295 427095331 /nfs/dbraw/zinc/09/53/31/427095331.db2.gz GXRJZTAFSTVRPX-UHFFFAOYSA-N 1 2 313.401 2.576 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000338022182 427098840 /nfs/dbraw/zinc/09/88/40/427098840.db2.gz GAUXNEIHKWUUID-HNNXBMFYSA-N 1 2 312.373 2.698 20 30 DFEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000338022182 427098847 /nfs/dbraw/zinc/09/88/47/427098847.db2.gz GAUXNEIHKWUUID-HNNXBMFYSA-N 1 2 312.373 2.698 20 30 DFEDLO CCc1[nH+]c(C)ccc1OCC(=O)NCc1ccc(C#N)cc1 ZINC000276558823 427099694 /nfs/dbraw/zinc/09/96/94/427099694.db2.gz MJIUYSCPTCLSSQ-UHFFFAOYSA-N 1 2 309.369 2.519 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268730748 427104993 /nfs/dbraw/zinc/10/49/93/427104993.db2.gz XKMMSTDTYCWYGN-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268730748 427105001 /nfs/dbraw/zinc/10/50/01/427105001.db2.gz XKMMSTDTYCWYGN-UXHICEINSA-N 1 2 322.408 2.883 20 30 DFEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1C)C1CCOCC1 ZINC000329408362 427110415 /nfs/dbraw/zinc/11/04/15/427110415.db2.gz BHWQOGUUEDKGFP-DZGCQCFKSA-N 1 2 320.437 2.769 20 30 DFEDLO O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329410153 427110764 /nfs/dbraw/zinc/11/07/64/427110764.db2.gz BLSXDJNEBGLHFI-HOTGVXAUSA-N 1 2 324.428 2.929 20 30 DFEDLO N#Cc1nnc2ccccc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000338046992 427112667 /nfs/dbraw/zinc/11/26/67/427112667.db2.gz WRBWANSRDRXUFB-CYBMUJFWSA-N 1 2 316.368 2.587 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC000329428879 427113328 /nfs/dbraw/zinc/11/33/28/427113328.db2.gz HDTYRQHKRWHCPY-SFHVURJKSA-N 1 2 311.385 2.521 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC000329428879 427113333 /nfs/dbraw/zinc/11/33/33/427113333.db2.gz HDTYRQHKRWHCPY-SFHVURJKSA-N 1 2 311.385 2.521 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329480454 427126227 /nfs/dbraw/zinc/12/62/27/427126227.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)[nH]1 ZINC000329480454 427126234 /nfs/dbraw/zinc/12/62/34/427126234.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)n1 ZINC000329480454 427126243 /nfs/dbraw/zinc/12/62/43/427126243.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)n1 ZINC000329480454 427126247 /nfs/dbraw/zinc/12/62/47/427126247.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329480454 427126253 /nfs/dbraw/zinc/12/62/53/427126253.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3CCC(C)CC3)C2)n[nH]1 ZINC000329480454 427126261 /nfs/dbraw/zinc/12/62/61/427126261.db2.gz QTDIHXNIQCMLLS-BLZCZZARSA-N 1 2 319.453 2.828 20 30 DFEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C1CCOCC1 ZINC000329525652 427133480 /nfs/dbraw/zinc/13/34/80/427133480.db2.gz RBXJSGYZUOKPSN-HNNXBMFYSA-N 1 2 314.389 2.771 20 30 DFEDLO [O-]C(NC[C@@H]1CCCC(F)(F)C1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329538755 427136112 /nfs/dbraw/zinc/13/61/12/427136112.db2.gz CELQXRLGPKTLIN-MNOVXSKESA-N 1 2 312.364 2.596 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC000329562088 427142045 /nfs/dbraw/zinc/14/20/45/427142045.db2.gz RPKLEYWYJILAEQ-LLVKDONJSA-N 1 2 302.382 2.549 20 30 DFEDLO Cc1nc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)cc1C#N ZINC000292500555 427185986 /nfs/dbraw/zinc/18/59/86/427185986.db2.gz FQCTYYMKJYTZJR-UHFFFAOYSA-N 1 2 301.781 2.953 20 30 DFEDLO C#CCCCCNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277610187 427260073 /nfs/dbraw/zinc/26/00/73/427260073.db2.gz JFLBUPFONZWXMP-UHFFFAOYSA-N 1 2 304.438 2.671 20 30 DFEDLO CC1=CC[N@H+](CCNC(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000330622309 427276942 /nfs/dbraw/zinc/27/69/42/427276942.db2.gz NRARNKXHRLGQLJ-UHFFFAOYSA-N 1 2 314.307 2.766 20 30 DFEDLO CC1=CC[N@@H+](CCNC(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000330622309 427276947 /nfs/dbraw/zinc/27/69/47/427276947.db2.gz NRARNKXHRLGQLJ-UHFFFAOYSA-N 1 2 314.307 2.766 20 30 DFEDLO COc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1C#N ZINC000285651090 427300150 /nfs/dbraw/zinc/30/01/50/427300150.db2.gz YLZKZHAEZKKOMH-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO COc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1C#N ZINC000285651090 427300156 /nfs/dbraw/zinc/30/01/56/427300156.db2.gz YLZKZHAEZKKOMH-UHFFFAOYSA-N 1 2 310.353 2.667 20 30 DFEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000330904614 427315284 /nfs/dbraw/zinc/31/52/84/427315284.db2.gz MJJWCKJMDVKKIL-BETUJISGSA-N 1 2 318.421 2.844 20 30 DFEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000330904614 427315288 /nfs/dbraw/zinc/31/52/88/427315288.db2.gz MJJWCKJMDVKKIL-BETUJISGSA-N 1 2 318.421 2.844 20 30 DFEDLO O=C(NCCC(F)(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330936739 427318876 /nfs/dbraw/zinc/31/88/76/427318876.db2.gz SXAAHWMCYZAFTG-UHFFFAOYSA-N 1 2 316.327 2.506 20 30 DFEDLO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330969594 427320836 /nfs/dbraw/zinc/32/08/36/427320836.db2.gz RLFBGEWQILNGET-LBPRGKRZSA-N 1 2 321.377 2.725 20 30 DFEDLO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330969594 427320840 /nfs/dbraw/zinc/32/08/40/427320840.db2.gz RLFBGEWQILNGET-LBPRGKRZSA-N 1 2 321.377 2.725 20 30 DFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1C=CCCC1 ZINC000330999967 427323300 /nfs/dbraw/zinc/32/33/00/427323300.db2.gz ZZMBEAXIBFMASZ-JTQLQIEISA-N 1 2 302.300 2.558 20 30 DFEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C(F)(F)F)o1 ZINC000331011168 427327982 /nfs/dbraw/zinc/32/79/82/427327982.db2.gz JGSQODBKEGTSGM-SECBINFHSA-N 1 2 320.311 2.632 20 30 DFEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C(F)(F)F)o1 ZINC000331011168 427327987 /nfs/dbraw/zinc/32/79/87/427327987.db2.gz JGSQODBKEGTSGM-SECBINFHSA-N 1 2 320.311 2.632 20 30 DFEDLO C#CC[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC000270401054 427346037 /nfs/dbraw/zinc/34/60/37/427346037.db2.gz JTOHMHRFICBTBY-KRWDZBQOSA-N 1 2 322.412 2.711 20 30 DFEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C#Cc1ccccc1 ZINC000277695604 427288135 /nfs/dbraw/zinc/28/81/35/427288135.db2.gz XQEHAKKMQULLCD-UHFFFAOYSA-N 1 2 309.413 2.736 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293350408 427293855 /nfs/dbraw/zinc/29/38/55/427293855.db2.gz ZFVYDDAEEYKJMR-IRXDYDNUSA-N 1 2 316.401 2.519 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000293350408 427293860 /nfs/dbraw/zinc/29/38/60/427293860.db2.gz ZFVYDDAEEYKJMR-IRXDYDNUSA-N 1 2 316.401 2.519 20 30 DFEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000191237785 427295043 /nfs/dbraw/zinc/29/50/43/427295043.db2.gz BQXJFQINIVHYHP-UHFFFAOYSA-N 1 2 324.428 2.893 20 30 DFEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(C#N)n(C)c2)c(C)c1 ZINC000191237785 427295048 /nfs/dbraw/zinc/29/50/48/427295048.db2.gz BQXJFQINIVHYHP-UHFFFAOYSA-N 1 2 324.428 2.893 20 30 DFEDLO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000331251118 427380994 /nfs/dbraw/zinc/38/09/94/427380994.db2.gz ZNFGKHIMQDIAID-VHSXEESVSA-N 1 2 300.761 2.972 20 30 DFEDLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331284381 427392037 /nfs/dbraw/zinc/39/20/37/427392037.db2.gz WYHBSMMFCPUNSL-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000331284381 427392045 /nfs/dbraw/zinc/39/20/45/427392045.db2.gz WYHBSMMFCPUNSL-LLVKDONJSA-N 1 2 300.387 2.546 20 30 DFEDLO CC#CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000270546702 427365192 /nfs/dbraw/zinc/36/51/92/427365192.db2.gz ADEHBSFWTTYMNX-GFCCVEGCSA-N 1 2 306.435 2.520 20 30 DFEDLO CC#CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000270546702 427365195 /nfs/dbraw/zinc/36/51/95/427365195.db2.gz ADEHBSFWTTYMNX-GFCCVEGCSA-N 1 2 306.435 2.520 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000183955919 427365553 /nfs/dbraw/zinc/36/55/53/427365553.db2.gz AAVVGDVVKKSLEQ-CQSZACIVSA-N 1 2 309.369 2.670 20 30 DFEDLO CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331190752 427368011 /nfs/dbraw/zinc/36/80/11/427368011.db2.gz LBYOTMPKMKJHRH-RMRHIDDWSA-N 1 2 308.426 2.578 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCC(C)(C)C)CCO1 ZINC000331210696 427369381 /nfs/dbraw/zinc/36/93/81/427369381.db2.gz XXNVTKOEQNMBLX-JSGCOSHPSA-N 1 2 308.426 2.580 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000278790688 427453509 /nfs/dbraw/zinc/45/35/09/427453509.db2.gz YMXKCXQEDIVVEM-NSHDSACASA-N 1 2 302.378 2.549 20 30 DFEDLO CC#CCN(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000297922348 427483915 /nfs/dbraw/zinc/48/39/15/427483915.db2.gz LCWXOGNDCOHOOS-UHFFFAOYSA-N 1 2 324.428 2.681 20 30 DFEDLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000331536469 427435884 /nfs/dbraw/zinc/43/58/84/427435884.db2.gz GNCUJGPXRKXQDF-IBGZPJMESA-N 1 2 324.428 2.965 20 30 DFEDLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000331536469 427435891 /nfs/dbraw/zinc/43/58/91/427435891.db2.gz GNCUJGPXRKXQDF-IBGZPJMESA-N 1 2 324.428 2.965 20 30 DFEDLO C#C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)C(C)C ZINC000297964226 427491467 /nfs/dbraw/zinc/49/14/67/427491467.db2.gz LKOMPHAYLGXBJN-LSDHHAIUSA-N 1 2 302.422 2.797 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176060 427494478 /nfs/dbraw/zinc/49/44/78/427494478.db2.gz YLEWLXNYYCRBGP-JTQLQIEISA-N 1 2 307.419 2.534 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c(C#N)c1C ZINC000192176060 427494484 /nfs/dbraw/zinc/49/44/84/427494484.db2.gz YLEWLXNYYCRBGP-JTQLQIEISA-N 1 2 307.419 2.534 20 30 DFEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298031301 427506544 /nfs/dbraw/zinc/50/65/44/427506544.db2.gz FNJQRZGEYJPPRF-CYBMUJFWSA-N 1 2 315.348 2.585 20 30 DFEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NCC(F)(F)F ZINC000298030054 427506656 /nfs/dbraw/zinc/50/66/56/427506656.db2.gz FHQBMVNIBOOCKN-LLVKDONJSA-N 1 2 318.314 2.881 20 30 DFEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NCC(F)(F)F ZINC000298030054 427506665 /nfs/dbraw/zinc/50/66/65/427506665.db2.gz FHQBMVNIBOOCKN-LLVKDONJSA-N 1 2 318.314 2.881 20 30 DFEDLO Cc1ccc([C@@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000286447406 427531210 /nfs/dbraw/zinc/53/12/10/427531210.db2.gz RFMMACPODXYTKD-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO CCc1nnc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034800 427536935 /nfs/dbraw/zinc/53/69/35/427536935.db2.gz BTZQDUHHWVOVLN-SWLSCSKDSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034800 427536943 /nfs/dbraw/zinc/53/69/43/427536943.db2.gz BTZQDUHHWVOVLN-SWLSCSKDSA-N 1 2 312.373 2.638 20 30 DFEDLO C[C@]12CC[N@H+](CC(=O)Nc3sccc3C#N)C[C@H]1C2(F)F ZINC000298233498 427541637 /nfs/dbraw/zinc/54/16/37/427541637.db2.gz HSISZUFTQZYYMH-MFKMUULPSA-N 1 2 311.357 2.535 20 30 DFEDLO C[C@]12CC[N@@H+](CC(=O)Nc3sccc3C#N)C[C@H]1C2(F)F ZINC000298233498 427541643 /nfs/dbraw/zinc/54/16/43/427541643.db2.gz HSISZUFTQZYYMH-MFKMUULPSA-N 1 2 311.357 2.535 20 30 DFEDLO CCc1cc(N)nc(SCCOc2ccc(C#N)cc2)[nH+]1 ZINC000279076937 427550649 /nfs/dbraw/zinc/55/06/49/427550649.db2.gz LCSBPUIUPZRFGE-UHFFFAOYSA-N 1 2 300.387 2.664 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000297937358 427490317 /nfs/dbraw/zinc/49/03/17/427490317.db2.gz RPRXIQRIUDVDQE-CYBMUJFWSA-N 1 2 301.390 2.646 20 30 DFEDLO CCc1nnc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123724 427566840 /nfs/dbraw/zinc/56/68/40/427566840.db2.gz LXYCRLVJUDZNRW-IUODEOHRSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)o1 ZINC000279123724 427566848 /nfs/dbraw/zinc/56/68/48/427566848.db2.gz LXYCRLVJUDZNRW-IUODEOHRSA-N 1 2 312.373 2.638 20 30 DFEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)s1 ZINC000185021417 427579735 /nfs/dbraw/zinc/57/97/35/427579735.db2.gz XTINTFGLALCHKP-LLVKDONJSA-N 1 2 300.387 2.613 20 30 DFEDLO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202893 427594611 /nfs/dbraw/zinc/59/46/11/427594611.db2.gz AYWFCVIKAZVXDF-SJKOYZFVSA-N 1 2 319.405 2.596 20 30 DFEDLO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202893 427594618 /nfs/dbraw/zinc/59/46/18/427594618.db2.gz AYWFCVIKAZVXDF-SJKOYZFVSA-N 1 2 319.405 2.596 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc(C#N)c1)C2 ZINC000332633324 427623786 /nfs/dbraw/zinc/62/37/86/427623786.db2.gz JVIITSRTRFCDTA-HNNXBMFYSA-N 1 2 322.412 2.797 20 30 DFEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(NC(C)=O)n1 ZINC000272211424 427672878 /nfs/dbraw/zinc/67/28/78/427672878.db2.gz AMBRZFYSKSMOBD-UHFFFAOYSA-N 1 2 305.403 2.925 20 30 DFEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(NC(C)=O)n1 ZINC000272211424 427672882 /nfs/dbraw/zinc/67/28/82/427672882.db2.gz AMBRZFYSKSMOBD-UHFFFAOYSA-N 1 2 305.403 2.925 20 30 DFEDLO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287704704 427673231 /nfs/dbraw/zinc/67/32/31/427673231.db2.gz JIYMZGHLVFNIPI-QWRGUYRKSA-N 1 2 309.207 2.523 20 30 DFEDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287704704 427673234 /nfs/dbraw/zinc/67/32/34/427673234.db2.gz JIYMZGHLVFNIPI-QWRGUYRKSA-N 1 2 309.207 2.523 20 30 DFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000298695826 427678152 /nfs/dbraw/zinc/67/81/52/427678152.db2.gz SQBMDMSWXIEHEM-GFCCVEGCSA-N 1 2 319.361 2.604 20 30 DFEDLO C=CCCCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000279557490 427701659 /nfs/dbraw/zinc/70/16/59/427701659.db2.gz NCGDLDNKVJKALH-UHFFFAOYSA-N 1 2 312.417 2.891 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339170583 427715832 /nfs/dbraw/zinc/71/58/32/427715832.db2.gz HRYSWHSIWVZPGY-CQSZACIVSA-N 1 2 324.222 2.911 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339170583 427715833 /nfs/dbraw/zinc/71/58/33/427715833.db2.gz HRYSWHSIWVZPGY-CQSZACIVSA-N 1 2 324.222 2.911 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000299133030 427754631 /nfs/dbraw/zinc/75/46/31/427754631.db2.gz MWBJNWFTRVZHDJ-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO Cc1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000299133030 427754633 /nfs/dbraw/zinc/75/46/33/427754633.db2.gz MWBJNWFTRVZHDJ-UHFFFAOYSA-N 1 2 312.442 2.641 20 30 DFEDLO C=CCCOCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000336877470 427771117 /nfs/dbraw/zinc/77/11/17/427771117.db2.gz ZJUPLVTXYLXPAN-UHFFFAOYSA-N 1 2 309.373 2.820 20 30 DFEDLO CC(C)[C@H](CNc1c(Cl)cccc1C#N)[NH+]1CCOCC1 ZINC000301207994 427781890 /nfs/dbraw/zinc/78/18/90/427781890.db2.gz ROLGYNSYANGJQU-HNNXBMFYSA-N 1 2 307.825 2.980 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000339270149 427746547 /nfs/dbraw/zinc/74/65/47/427746547.db2.gz GRMCNCZFKBGTTK-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000339270149 427746550 /nfs/dbraw/zinc/74/65/50/427746550.db2.gz GRMCNCZFKBGTTK-INIZCTEOSA-N 1 2 319.836 2.948 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000301516377 427801655 /nfs/dbraw/zinc/80/16/55/427801655.db2.gz GMZRLOIDCHORNG-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1nc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000301553774 427805497 /nfs/dbraw/zinc/80/54/97/427805497.db2.gz WDUWIRHWFDNCHS-UHFFFAOYSA-N 1 2 310.748 2.799 20 30 DFEDLO Cc1cc(N2CCN([C@@H](C)C(F)(F)F)CC2)c(C#N)c(C)[nH+]1 ZINC000301776069 427823219 /nfs/dbraw/zinc/82/32/19/427823219.db2.gz LISSJFHSEKLPGG-LBPRGKRZSA-N 1 2 312.339 2.643 20 30 DFEDLO Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301786510 427824437 /nfs/dbraw/zinc/82/44/37/427824437.db2.gz PBBIXYSXWOLVBQ-AWEZNQCLSA-N 1 2 308.385 2.687 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000339765470 427824570 /nfs/dbraw/zinc/82/45/70/427824570.db2.gz HLXZQTJHVBMLFY-UHFFFAOYSA-N 1 2 313.228 2.907 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000339765470 427824573 /nfs/dbraw/zinc/82/45/73/427824573.db2.gz HLXZQTJHVBMLFY-UHFFFAOYSA-N 1 2 313.228 2.907 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000339766103 427825016 /nfs/dbraw/zinc/82/50/16/427825016.db2.gz OKAFNVUHJSTTOG-LBPRGKRZSA-N 1 2 308.809 2.939 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000339766103 427825020 /nfs/dbraw/zinc/82/50/20/427825020.db2.gz OKAFNVUHJSTTOG-LBPRGKRZSA-N 1 2 308.809 2.939 20 30 DFEDLO CC[C@H]1CN(c2cc(C)[nH+]c(C)c2C#N)CCN1CC(F)F ZINC000301904713 427837821 /nfs/dbraw/zinc/83/78/21/427837821.db2.gz YFZVROWOWJURST-ZDUSSCGKSA-N 1 2 308.376 2.736 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388010 427879497 /nfs/dbraw/zinc/87/94/97/427879497.db2.gz GBJBDQMPJXNIJI-WMZOPIPTSA-N 1 2 320.383 2.792 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)C1=O ZINC000337388010 427879500 /nfs/dbraw/zinc/87/95/00/427879500.db2.gz GBJBDQMPJXNIJI-WMZOPIPTSA-N 1 2 320.383 2.792 20 30 DFEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302870224 427884103 /nfs/dbraw/zinc/88/41/03/427884103.db2.gz BJAKUPYMABGPJA-OAHLLOKOSA-N 1 2 317.396 2.708 20 30 DFEDLO Cc1cc(C#N)cc(NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000339969789 427893739 /nfs/dbraw/zinc/89/37/39/427893739.db2.gz TVMBWEYRLYWIGP-UHFFFAOYSA-N 1 2 307.401 3.259 20 30 DFEDLO N#Cc1cccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c1F ZINC000359532330 427895853 /nfs/dbraw/zinc/89/58/53/427895853.db2.gz TZDHUMWQOPYCHY-CQSZACIVSA-N 1 2 306.287 2.799 20 30 DFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359696759 427977399 /nfs/dbraw/zinc/97/73/99/427977399.db2.gz DPFRAVWJZBYQAK-UHFFFAOYSA-N 1 2 302.337 2.878 20 30 DFEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359696759 427977405 /nfs/dbraw/zinc/97/74/05/427977405.db2.gz DPFRAVWJZBYQAK-UHFFFAOYSA-N 1 2 302.337 2.878 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCc1cccc(C#N)c1 ZINC000340105660 427927207 /nfs/dbraw/zinc/92/72/07/427927207.db2.gz PZOWHCZIHSLVRV-UHFFFAOYSA-N 1 2 318.380 2.575 20 30 DFEDLO Cc1ccc(Cc2noc(COc3ccccc3C#N)n2)c[nH+]1 ZINC000356106034 428023953 /nfs/dbraw/zinc/02/39/53/428023953.db2.gz DNSLYXKWFHCBID-UHFFFAOYSA-N 1 2 306.325 2.815 20 30 DFEDLO CCCCCCCCC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000369654261 428026179 /nfs/dbraw/zinc/02/61/79/428026179.db2.gz KYPHIVWCWJMQHQ-MRXNPFEDSA-N 1 2 320.481 2.986 20 30 DFEDLO COC(=O)[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1 ZINC000341259253 428030575 /nfs/dbraw/zinc/03/05/75/428030575.db2.gz QFYYHHKKYUJQPW-AWEZNQCLSA-N 1 2 308.328 2.940 20 30 DFEDLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000369716127 428043811 /nfs/dbraw/zinc/04/38/11/428043811.db2.gz ZXBWJKCIDZHOBT-PBHICJAKSA-N 1 2 308.385 2.787 20 30 DFEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000359854897 428048514 /nfs/dbraw/zinc/04/85/14/428048514.db2.gz RMMFSTFWKHXGEZ-UHFFFAOYSA-N 1 2 307.825 2.950 20 30 DFEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000359854897 428048518 /nfs/dbraw/zinc/04/85/18/428048518.db2.gz RMMFSTFWKHXGEZ-UHFFFAOYSA-N 1 2 307.825 2.950 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(N(C)C)n1 ZINC000341160863 428002204 /nfs/dbraw/zinc/00/22/04/428002204.db2.gz GYJKGERMAKBVPZ-UHFFFAOYSA-N 1 2 307.401 2.602 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(N(C)C)n1 ZINC000341160863 428002213 /nfs/dbraw/zinc/00/22/13/428002213.db2.gz GYJKGERMAKBVPZ-UHFFFAOYSA-N 1 2 307.401 2.602 20 30 DFEDLO C=CCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369587690 428007161 /nfs/dbraw/zinc/00/71/61/428007161.db2.gz VIOBYUVXJARJFP-HNNXBMFYSA-N 1 2 320.437 2.547 20 30 DFEDLO C=CCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369587690 428007165 /nfs/dbraw/zinc/00/71/65/428007165.db2.gz VIOBYUVXJARJFP-HNNXBMFYSA-N 1 2 320.437 2.547 20 30 DFEDLO C=C(CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1)c1ccccc1 ZINC000413297004 428015084 /nfs/dbraw/zinc/01/50/84/428015084.db2.gz ISOFJWPXMMUPCW-NVXWUHKLSA-N 1 2 324.428 2.809 20 30 DFEDLO C=C(CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1)c1ccccc1 ZINC000413297004 428015090 /nfs/dbraw/zinc/01/50/90/428015090.db2.gz ISOFJWPXMMUPCW-NVXWUHKLSA-N 1 2 324.428 2.809 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413572447 428082887 /nfs/dbraw/zinc/08/28/87/428082887.db2.gz IJEJCFKVKLUTIH-GDBMZVCRSA-N 1 2 312.417 2.869 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413572447 428082890 /nfs/dbraw/zinc/08/28/90/428082890.db2.gz IJEJCFKVKLUTIH-GDBMZVCRSA-N 1 2 312.417 2.869 20 30 DFEDLO N#CC[C@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000356267687 428095694 /nfs/dbraw/zinc/09/56/94/428095694.db2.gz HLBVWQXWRKPFHH-QZTJIDSGSA-N 1 2 322.412 2.962 20 30 DFEDLO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C#N)c1ccccn1 ZINC000351831874 428111897 /nfs/dbraw/zinc/11/18/97/428111897.db2.gz UDWLNKZTJORCQX-SFHVURJKSA-N 1 2 309.369 2.521 20 30 DFEDLO C[C@H](c1cccc(NC(=O)c2c[nH]c(C#N)c2)c1)[NH+]1CCOCC1 ZINC000351955047 428118280 /nfs/dbraw/zinc/11/82/80/428118280.db2.gz FQIDFDZRWVUPRN-CYBMUJFWSA-N 1 2 324.384 2.532 20 30 DFEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc2)n1C ZINC000370109863 428136811 /nfs/dbraw/zinc/13/68/11/428136811.db2.gz GLHKGCXYPHHPMH-MRXNPFEDSA-N 1 2 323.425 2.936 20 30 DFEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCSc3ccccc32)C(N)=O)cc1 ZINC000360069289 428142212 /nfs/dbraw/zinc/14/22/12/428142212.db2.gz NXTCJEJCRWHEQC-WBVHZDCISA-N 1 2 323.421 2.911 20 30 DFEDLO C=CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000341702795 428160924 /nfs/dbraw/zinc/16/09/24/428160924.db2.gz LDLWLSQIIUAFNO-INIZCTEOSA-N 1 2 311.385 2.866 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341748566 428178548 /nfs/dbraw/zinc/17/85/48/428178548.db2.gz ASEWIJNEZAFZCF-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341748566 428178551 /nfs/dbraw/zinc/17/85/51/428178551.db2.gz ASEWIJNEZAFZCF-UHFFFAOYSA-N 1 2 304.821 2.899 20 30 DFEDLO CCc1noc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000370306916 428179325 /nfs/dbraw/zinc/17/93/25/428179325.db2.gz FBJLUHWIXIURLM-ZDUSSCGKSA-N 1 2 311.389 2.645 20 30 DFEDLO CCc1noc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000370306915 428179649 /nfs/dbraw/zinc/17/96/49/428179649.db2.gz FBJLUHWIXIURLM-CYBMUJFWSA-N 1 2 311.389 2.645 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000346539660 428210717 /nfs/dbraw/zinc/21/07/17/428210717.db2.gz FZDSROYXPIERQB-KFWWJZLASA-N 1 2 322.474 2.760 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000414163366 428222026 /nfs/dbraw/zinc/22/20/26/428222026.db2.gz NBUIKYBRYQYCFJ-QGZVFWFLSA-N 1 2 310.397 2.939 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000414163366 428222034 /nfs/dbraw/zinc/22/20/34/428222034.db2.gz NBUIKYBRYQYCFJ-QGZVFWFLSA-N 1 2 310.397 2.939 20 30 DFEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000414166299 428223238 /nfs/dbraw/zinc/22/32/38/428223238.db2.gz QSCUOAAXDQFEDY-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000414166299 428223241 /nfs/dbraw/zinc/22/32/41/428223241.db2.gz QSCUOAAXDQFEDY-SNVBAGLBSA-N 1 2 303.189 2.579 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360275601 428234175 /nfs/dbraw/zinc/23/41/75/428234175.db2.gz CJDKNAKVXLEFCI-CQSZACIVSA-N 1 2 310.401 2.831 20 30 DFEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccnc(C#N)c2)[nH+]1 ZINC000356467854 428191803 /nfs/dbraw/zinc/19/18/03/428191803.db2.gz POKSZOPJEHDUFQ-UHFFFAOYSA-N 1 2 303.325 2.904 20 30 DFEDLO CC[N@@H+](CC(=O)NCCCSc1ccccc1)C[C@@H](C)C#N ZINC000356481508 428199698 /nfs/dbraw/zinc/19/96/98/428199698.db2.gz TWSGBGBSQLHJBK-HNNXBMFYSA-N 1 2 319.474 2.767 20 30 DFEDLO CC[N@H+](CC(=O)NCCCSc1ccccc1)C[C@@H](C)C#N ZINC000356481508 428199703 /nfs/dbraw/zinc/19/97/03/428199703.db2.gz TWSGBGBSQLHJBK-HNNXBMFYSA-N 1 2 319.474 2.767 20 30 DFEDLO CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352838425 428273024 /nfs/dbraw/zinc/27/30/24/428273024.db2.gz FDUUQIDPIJDPRP-UHFFFAOYSA-N 1 2 303.387 2.712 20 30 DFEDLO Cn1c[nH+]c2c1CCN(c1cccc(Br)c1C#N)C2 ZINC000377976368 428276370 /nfs/dbraw/zinc/27/63/70/428276370.db2.gz JKBNZHIFXKMILN-UHFFFAOYSA-N 1 2 317.190 2.617 20 30 DFEDLO N#Cc1c[nH]c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000356604857 428250184 /nfs/dbraw/zinc/25/01/84/428250184.db2.gz UBOMVGYLWBQMOJ-UHFFFAOYSA-N 1 2 302.297 2.789 20 30 DFEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000342128901 428313821 /nfs/dbraw/zinc/31/38/21/428313821.db2.gz ZQRYNDPJDGJGLQ-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000342128901 428313827 /nfs/dbraw/zinc/31/38/27/428313827.db2.gz ZQRYNDPJDGJGLQ-CYBMUJFWSA-N 1 2 311.360 2.746 20 30 DFEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)o1 ZINC000353128757 428393692 /nfs/dbraw/zinc/39/36/92/428393692.db2.gz SIVMPVHKXNBKEN-CQSZACIVSA-N 1 2 315.760 2.591 20 30 DFEDLO N#Cc1c(N[C@H]2CCCN(c3cccc[nH+]3)C2)nc2ccccn21 ZINC000360688615 428399690 /nfs/dbraw/zinc/39/96/90/428399690.db2.gz CBLJMAYISZMUDW-AWEZNQCLSA-N 1 2 318.384 2.682 20 30 DFEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cccc1Cl ZINC000346957101 428385499 /nfs/dbraw/zinc/38/54/99/428385499.db2.gz IAYKRKYLPBYVHN-JTQLQIEISA-N 1 2 309.772 2.692 20 30 DFEDLO C[C@H](C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000347103251 428446341 /nfs/dbraw/zinc/44/63/41/428446341.db2.gz IURABXOEFSIMDC-GFCCVEGCSA-N 1 2 314.414 2.873 20 30 DFEDLO C[C@H](C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000347103251 428446347 /nfs/dbraw/zinc/44/63/47/428446347.db2.gz IURABXOEFSIMDC-GFCCVEGCSA-N 1 2 314.414 2.873 20 30 DFEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347106338 428446939 /nfs/dbraw/zinc/44/69/39/428446939.db2.gz LPLXUQCSUHCXBK-BXUZGUMPSA-N 1 2 323.799 2.719 20 30 DFEDLO C[C@@H](C#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000347103253 428447005 /nfs/dbraw/zinc/44/70/05/428447005.db2.gz IURABXOEFSIMDC-LBPRGKRZSA-N 1 2 314.414 2.873 20 30 DFEDLO C[C@@H](C#N)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000347103253 428447011 /nfs/dbraw/zinc/44/70/11/428447011.db2.gz IURABXOEFSIMDC-LBPRGKRZSA-N 1 2 314.414 2.873 20 30 DFEDLO C=CCCOCCCCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000342845930 428468637 /nfs/dbraw/zinc/46/86/37/428468637.db2.gz BOHKOQZEHLNKJH-UHFFFAOYSA-N 1 2 305.422 2.599 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000357165772 428416294 /nfs/dbraw/zinc/41/62/94/428416294.db2.gz ZURMVUSGTCOQQD-CYBMUJFWSA-N 1 2 308.372 2.986 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000357165772 428416299 /nfs/dbraw/zinc/41/62/99/428416299.db2.gz ZURMVUSGTCOQQD-CYBMUJFWSA-N 1 2 308.372 2.986 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000342411656 428424625 /nfs/dbraw/zinc/42/46/25/428424625.db2.gz HQPQYDWXSPMPKK-UHFFFAOYSA-N 1 2 317.274 2.883 20 30 DFEDLO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000347068352 428431564 /nfs/dbraw/zinc/43/15/64/428431564.db2.gz FFDOMSXUISJESR-OAHLLOKOSA-N 1 2 315.417 2.931 20 30 DFEDLO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCC2)o1 ZINC000347068352 428431567 /nfs/dbraw/zinc/43/15/67/428431567.db2.gz FFDOMSXUISJESR-OAHLLOKOSA-N 1 2 315.417 2.931 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccccc2OC)C1=O ZINC000372344555 428432017 /nfs/dbraw/zinc/43/20/17/428432017.db2.gz CQWZIISDAJGAOJ-ZBFHGGJFSA-N 1 2 315.417 2.672 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccccc2OC)C1=O ZINC000372344555 428432021 /nfs/dbraw/zinc/43/20/21/428432021.db2.gz CQWZIISDAJGAOJ-ZBFHGGJFSA-N 1 2 315.417 2.672 20 30 DFEDLO Cc1[nH]c(-c2cccc(NC(=O)C3(C#N)CCOCC3)c2)[nH+]c1C ZINC000372606647 428473684 /nfs/dbraw/zinc/47/36/84/428473684.db2.gz FBMDDZIGNOTGHU-UHFFFAOYSA-N 1 2 324.384 2.952 20 30 DFEDLO Cc1ccn2cc(CNC(=O)Nc3ccc(C#N)c(F)c3)[nH+]c2c1 ZINC000353538440 428583092 /nfs/dbraw/zinc/58/30/92/428583092.db2.gz ICXYTLKEFBOYAY-UHFFFAOYSA-N 1 2 323.331 2.975 20 30 DFEDLO Cc1c(Cl)cnc(NCCCNc2cccc[nH+]2)c1C#N ZINC000343507598 428552259 /nfs/dbraw/zinc/55/22/59/428552259.db2.gz HKYGNRAILXYSFN-UHFFFAOYSA-N 1 2 301.781 3.224 20 30 DFEDLO CC[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1[nH]cc[nH+]1 ZINC000357686572 428555378 /nfs/dbraw/zinc/55/53/78/428555378.db2.gz TZVUUKASGCIFBB-CYBMUJFWSA-N 1 2 322.328 3.301 20 30 DFEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751761 428561164 /nfs/dbraw/zinc/56/11/64/428561164.db2.gz DUPJNDCULVMVAR-GJZGRUSLSA-N 1 2 323.400 2.782 20 30 DFEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCN1c1nc2ccccc2o1 ZINC000357751761 428561167 /nfs/dbraw/zinc/56/11/67/428561167.db2.gz DUPJNDCULVMVAR-GJZGRUSLSA-N 1 2 323.400 2.782 20 30 DFEDLO Cc1ccncc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000361412417 428566124 /nfs/dbraw/zinc/56/61/24/428566124.db2.gz JARDSUCCTTXWGQ-UHFFFAOYSA-N 1 2 322.412 2.769 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000361412417 428566130 /nfs/dbraw/zinc/56/61/30/428566130.db2.gz JARDSUCCTTXWGQ-UHFFFAOYSA-N 1 2 322.412 2.769 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357949921 428572871 /nfs/dbraw/zinc/57/28/71/428572871.db2.gz WVWNIYGWMYTGEW-UHFFFAOYSA-N 1 2 324.465 2.609 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357949921 428572877 /nfs/dbraw/zinc/57/28/77/428572877.db2.gz WVWNIYGWMYTGEW-UHFFFAOYSA-N 1 2 324.465 2.609 20 30 DFEDLO C=C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347619581 428619413 /nfs/dbraw/zinc/61/94/13/428619413.db2.gz ZCFIELWIXYXPJS-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO C=C[C@@H](CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000347619581 428619419 /nfs/dbraw/zinc/61/94/19/428619419.db2.gz ZCFIELWIXYXPJS-WMZOPIPTSA-N 1 2 316.445 2.573 20 30 DFEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000347708680 428622850 /nfs/dbraw/zinc/62/28/50/428622850.db2.gz RULYUJQKNIZBEN-IHRRRGAJSA-N 1 2 301.390 2.694 20 30 DFEDLO C=CCOCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000348041187 428634778 /nfs/dbraw/zinc/63/47/78/428634778.db2.gz WODMVEKXQUOUPC-KRWDZBQOSA-N 1 2 303.402 2.553 20 30 DFEDLO C=CCOCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000348041187 428634783 /nfs/dbraw/zinc/63/47/83/428634783.db2.gz WODMVEKXQUOUPC-KRWDZBQOSA-N 1 2 303.402 2.553 20 30 DFEDLO N#Cc1nc(NCc2ccccc2Cn2cc[nH+]c2)ccc1Cl ZINC000348188032 428646766 /nfs/dbraw/zinc/64/67/66/428646766.db2.gz RGJXKCKAZZMPRP-UHFFFAOYSA-N 1 2 323.787 3.464 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1)C(C)C ZINC000374166405 428668528 /nfs/dbraw/zinc/66/85/28/428668528.db2.gz WNPXFZZLJLCOOI-WMZOPIPTSA-N 1 2 321.424 2.887 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccccc1C#N ZINC000344585493 428679433 /nfs/dbraw/zinc/67/94/33/428679433.db2.gz PZZFEZBWSAUQHL-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000344585493 428679437 /nfs/dbraw/zinc/67/94/37/428679437.db2.gz PZZFEZBWSAUQHL-GOSISDBHSA-N 1 2 324.380 2.783 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374520545 428694280 /nfs/dbraw/zinc/69/42/80/428694280.db2.gz NDFDVLVCDJHECW-HNNXBMFYSA-N 1 2 310.235 2.921 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374520545 428694283 /nfs/dbraw/zinc/69/42/83/428694283.db2.gz NDFDVLVCDJHECW-HNNXBMFYSA-N 1 2 310.235 2.921 20 30 DFEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411194557 428756553 /nfs/dbraw/zinc/75/65/53/428756553.db2.gz QQIYPFYGRFHUEO-QGZVFWFLSA-N 1 2 317.429 2.828 20 30 DFEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000411194557 428756557 /nfs/dbraw/zinc/75/65/57/428756557.db2.gz QQIYPFYGRFHUEO-QGZVFWFLSA-N 1 2 317.429 2.828 20 30 DFEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411262348 428767764 /nfs/dbraw/zinc/76/77/64/428767764.db2.gz CLEWZDAGKJRYQF-AWEZNQCLSA-N 1 2 312.479 2.748 20 30 DFEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411262348 428767768 /nfs/dbraw/zinc/76/77/68/428767768.db2.gz CLEWZDAGKJRYQF-AWEZNQCLSA-N 1 2 312.479 2.748 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362505268 428775163 /nfs/dbraw/zinc/77/51/63/428775163.db2.gz MCFROVFAGYKQFW-LJQANCHMSA-N 1 2 317.429 2.879 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362505268 428775171 /nfs/dbraw/zinc/77/51/71/428775171.db2.gz MCFROVFAGYKQFW-LJQANCHMSA-N 1 2 317.429 2.879 20 30 DFEDLO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](CC)CCC#N)c(OC)c1 ZINC000348538447 428777689 /nfs/dbraw/zinc/77/76/89/428777689.db2.gz CUGAUHPTOBPSLW-OUOZUETKSA-N 1 2 318.417 2.704 20 30 DFEDLO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](CC)CCC#N)c(OC)c1 ZINC000348538447 428777694 /nfs/dbraw/zinc/77/76/94/428777694.db2.gz CUGAUHPTOBPSLW-OUOZUETKSA-N 1 2 318.417 2.704 20 30 DFEDLO C=C[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000353840622 428742678 /nfs/dbraw/zinc/74/26/78/428742678.db2.gz JTSFNEUHDBLMQG-CYBMUJFWSA-N 1 2 309.413 2.917 20 30 DFEDLO C=C[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000353840622 428742684 /nfs/dbraw/zinc/74/26/84/428742684.db2.gz JTSFNEUHDBLMQG-CYBMUJFWSA-N 1 2 309.413 2.917 20 30 DFEDLO C=CCOc1ccc(CNC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000359067034 428802917 /nfs/dbraw/zinc/80/29/17/428802917.db2.gz XVGKAHZBEKLMMY-UHFFFAOYSA-N 1 2 307.353 2.829 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(N(C)C)s1 ZINC000348637082 428803256 /nfs/dbraw/zinc/80/32/56/428803256.db2.gz SJDSJEVIRRPSGD-UHFFFAOYSA-N 1 2 321.446 2.873 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(N(C)C)s1 ZINC000348637082 428803259 /nfs/dbraw/zinc/80/32/59/428803259.db2.gz SJDSJEVIRRPSGD-UHFFFAOYSA-N 1 2 321.446 2.873 20 30 DFEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411493601 428804956 /nfs/dbraw/zinc/80/49/56/428804956.db2.gz FPLXVFOZPAEOKC-OAHLLOKOSA-N 1 2 301.365 2.557 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000411496309 428805689 /nfs/dbraw/zinc/80/56/89/428805689.db2.gz XOSUYSSIJXAFSE-OAHLLOKOSA-N 1 2 323.400 2.755 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000411496309 428805694 /nfs/dbraw/zinc/80/56/94/428805694.db2.gz XOSUYSSIJXAFSE-OAHLLOKOSA-N 1 2 323.400 2.755 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000359120928 428827104 /nfs/dbraw/zinc/82/71/04/428827104.db2.gz MGNWFGHPBVVPFJ-UHFFFAOYSA-N 1 2 318.340 2.837 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)s1 ZINC000362973709 428830110 /nfs/dbraw/zinc/83/01/10/428830110.db2.gz WIIVQKBOXYFYAD-UHFFFAOYSA-N 1 2 310.382 2.708 20 30 DFEDLO N#Cc1ccc(Nc2cccc(C(=O)NCc3c[nH+]c[nH]3)c2)cc1 ZINC000359141963 428835753 /nfs/dbraw/zinc/83/57/53/428835753.db2.gz LFQQWKKKDFDXCP-UHFFFAOYSA-N 1 2 317.352 2.955 20 30 DFEDLO N#Cc1ccc(Nc2cccc(C(=O)NCc3c[nH]c[nH+]3)c2)cc1 ZINC000359141963 428835758 /nfs/dbraw/zinc/83/57/58/428835758.db2.gz LFQQWKKKDFDXCP-UHFFFAOYSA-N 1 2 317.352 2.955 20 30 DFEDLO N#CC1(CC[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCCCC1 ZINC000411665452 428837399 /nfs/dbraw/zinc/83/73/99/428837399.db2.gz GIAQIBAYCUCIOD-CYBMUJFWSA-N 1 2 304.394 2.819 20 30 DFEDLO N#CC1(CC[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCCCC1 ZINC000411665452 428837402 /nfs/dbraw/zinc/83/74/02/428837402.db2.gz GIAQIBAYCUCIOD-CYBMUJFWSA-N 1 2 304.394 2.819 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354044758 428838426 /nfs/dbraw/zinc/83/84/26/428838426.db2.gz MNAOBOCKFKKXLZ-LBPRGKRZSA-N 1 2 304.390 2.836 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354044758 428838430 /nfs/dbraw/zinc/83/84/30/428838430.db2.gz MNAOBOCKFKKXLZ-LBPRGKRZSA-N 1 2 304.390 2.836 20 30 DFEDLO C=CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000363124247 428864193 /nfs/dbraw/zinc/86/41/93/428864193.db2.gz QRVYOTSQFLTVSU-QGZVFWFLSA-N 1 2 313.401 2.991 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419264464 428928634 /nfs/dbraw/zinc/92/86/34/428928634.db2.gz XQXMFCLYOFDHOR-YESZJQIVSA-N 1 2 300.402 2.833 20 30 DFEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420949090 428972650 /nfs/dbraw/zinc/97/26/50/428972650.db2.gz OILFXJKFZSAWNG-HRCADAONSA-N 1 2 321.465 2.607 20 30 DFEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H](CC)O1 ZINC000420949090 428972658 /nfs/dbraw/zinc/97/26/58/428972658.db2.gz OILFXJKFZSAWNG-HRCADAONSA-N 1 2 321.465 2.607 20 30 DFEDLO Cc1cc(CNS(=O)(=O)CC2(C#N)CCCCC2)cc(C)[nH+]1 ZINC000420703311 428962010 /nfs/dbraw/zinc/96/20/10/428962010.db2.gz UVSOXPVZHILEHR-UHFFFAOYSA-N 1 2 321.446 2.592 20 30 DFEDLO CCc1nc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)no1 ZINC000375757688 428963127 /nfs/dbraw/zinc/96/31/27/428963127.db2.gz KVPPWYOQZTUHKZ-OAHLLOKOSA-N 1 2 312.373 2.720 20 30 DFEDLO CCc1nc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)no1 ZINC000375757688 428963131 /nfs/dbraw/zinc/96/31/31/428963131.db2.gz KVPPWYOQZTUHKZ-OAHLLOKOSA-N 1 2 312.373 2.720 20 30 DFEDLO Cc1cc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000420849289 428967804 /nfs/dbraw/zinc/96/78/04/428967804.db2.gz NONOTEOUOVHGNM-UHFFFAOYSA-N 1 2 308.385 2.912 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836248 428993846 /nfs/dbraw/zinc/99/38/46/428993846.db2.gz LAZQWXXMLPNCDV-INIZCTEOSA-N 1 2 301.390 2.569 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836248 428993853 /nfs/dbraw/zinc/99/38/53/428993853.db2.gz LAZQWXXMLPNCDV-INIZCTEOSA-N 1 2 301.390 2.569 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843136 428995485 /nfs/dbraw/zinc/99/54/85/428995485.db2.gz ROPHVZJCRUQOOO-IRXDYDNUSA-N 1 2 313.401 2.615 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1CC1 ZINC000451843136 428995491 /nfs/dbraw/zinc/99/54/91/428995491.db2.gz ROPHVZJCRUQOOO-IRXDYDNUSA-N 1 2 313.401 2.615 20 30 DFEDLO C=CCCC1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000355601708 429053921 /nfs/dbraw/zinc/05/39/21/429053921.db2.gz AYWIWMHMSANALJ-UHFFFAOYSA-N 1 2 301.312 2.808 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452202697 429084936 /nfs/dbraw/zinc/08/49/36/429084936.db2.gz BNESIEYFYATZLF-BZNIZROVSA-N 1 2 314.776 2.692 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cccc(Cl)c2OCC)nn1 ZINC000424168981 429105243 /nfs/dbraw/zinc/10/52/43/429105243.db2.gz HDFIPPKWTNDSJV-UHFFFAOYSA-N 1 2 306.797 2.806 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2cnc(-c3ccc(C)o3)s2)nn1 ZINC000424176929 429106347 /nfs/dbraw/zinc/10/63/47/429106347.db2.gz ZCZQSANLYPFTGG-UHFFFAOYSA-N 1 2 315.402 2.779 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)nn1 ZINC000424295939 429121577 /nfs/dbraw/zinc/12/15/77/429121577.db2.gz NUKBYRYBTAFGGV-HNNXBMFYSA-N 1 2 300.410 2.598 20 30 DFEDLO C=CCn1cc(CN[C@H](c2[nH]cc[nH+]2)C2CCCCC2)nn1 ZINC000424295939 429121579 /nfs/dbraw/zinc/12/15/79/429121579.db2.gz NUKBYRYBTAFGGV-HNNXBMFYSA-N 1 2 300.410 2.598 20 30 DFEDLO C[C@H]1CC=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000454298747 429163703 /nfs/dbraw/zinc/16/37/03/429163703.db2.gz IRECXQWIJYDDHO-INIZCTEOSA-N 1 2 323.440 2.949 20 30 DFEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000454617638 429169643 /nfs/dbraw/zinc/16/96/43/429169643.db2.gz OQCLYMZDJAPPPM-UHFFFAOYSA-N 1 2 312.417 2.891 20 30 DFEDLO Cc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC000487925843 429173554 /nfs/dbraw/zinc/17/35/54/429173554.db2.gz PTOPSTGDXGYBSU-UHFFFAOYSA-N 1 2 303.369 3.119 20 30 DFEDLO N#CC1(C[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488229365 429178891 /nfs/dbraw/zinc/17/88/91/429178891.db2.gz HSFNAFFPRGACJY-UHFFFAOYSA-N 1 2 309.207 2.547 20 30 DFEDLO N#CC1(C[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488229365 429178895 /nfs/dbraw/zinc/17/88/95/429178895.db2.gz HSFNAFFPRGACJY-UHFFFAOYSA-N 1 2 309.207 2.547 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488456924 429179655 /nfs/dbraw/zinc/17/96/55/429179655.db2.gz HHBXOVZVCRVMPK-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488456924 429179661 /nfs/dbraw/zinc/17/96/61/429179661.db2.gz HHBXOVZVCRVMPK-LBPRGKRZSA-N 1 2 300.362 2.589 20 30 DFEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000424726859 429181338 /nfs/dbraw/zinc/18/13/38/429181338.db2.gz YCSBFWAQBQZABQ-CVEARBPZSA-N 1 2 317.433 2.666 20 30 DFEDLO C=C(CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000488907486 429207317 /nfs/dbraw/zinc/20/73/17/429207317.db2.gz FQQASECQKSPAOP-QZTJIDSGSA-N 1 2 316.445 2.705 20 30 DFEDLO C=C(CNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccccc1 ZINC000488907486 429207321 /nfs/dbraw/zinc/20/73/21/429207321.db2.gz FQQASECQKSPAOP-QZTJIDSGSA-N 1 2 316.445 2.705 20 30 DFEDLO N#CCc1ccc(NC(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000455760799 429208037 /nfs/dbraw/zinc/20/80/37/429208037.db2.gz YSXGWFWCAWMQHK-UHFFFAOYSA-N 1 2 317.780 2.814 20 30 DFEDLO C=CCn1cccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000489040016 429215741 /nfs/dbraw/zinc/21/57/41/429215741.db2.gz FQBCUBHWBYZMQA-OAHLLOKOSA-N 1 2 312.417 2.503 20 30 DFEDLO C[C@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495878521 429284031 /nfs/dbraw/zinc/28/40/31/429284031.db2.gz XASHKJCKJNXHMH-UONOGXRCSA-N 1 2 307.438 2.867 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F ZINC000365252854 429288315 /nfs/dbraw/zinc/28/83/15/429288315.db2.gz CIEHDZXCJLRFHH-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F ZINC000365252854 429288317 /nfs/dbraw/zinc/28/83/17/429288317.db2.gz CIEHDZXCJLRFHH-QGZVFWFLSA-N 1 2 315.392 2.674 20 30 DFEDLO Cc1cc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425221999 429247413 /nfs/dbraw/zinc/24/74/13/429247413.db2.gz FZDOINMRPHJZSG-AWEZNQCLSA-N 1 2 314.433 2.640 20 30 DFEDLO Cc1cc(NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c(C#N)c[nH+]1 ZINC000425259312 429252961 /nfs/dbraw/zinc/25/29/61/429252961.db2.gz UYZLKWJZGODUQA-BEFAXECRSA-N 1 2 309.413 2.725 20 30 DFEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444175338 429267496 /nfs/dbraw/zinc/26/74/96/429267496.db2.gz ZQCUTWSWDJFTMS-UHFFFAOYSA-N 1 2 321.384 2.940 20 30 DFEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000425339277 429268839 /nfs/dbraw/zinc/26/88/39/429268839.db2.gz ROOMFPSQMJGXGQ-QZTJIDSGSA-N 1 2 323.444 2.758 20 30 DFEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000425339277 429268845 /nfs/dbraw/zinc/26/88/45/429268845.db2.gz ROOMFPSQMJGXGQ-QZTJIDSGSA-N 1 2 323.444 2.758 20 30 DFEDLO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000444688891 429274622 /nfs/dbraw/zinc/27/46/22/429274622.db2.gz DNFBCWYFLQMRGM-GOSISDBHSA-N 1 2 307.397 2.834 20 30 DFEDLO Cc1cc(C)cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000444688891 429274625 /nfs/dbraw/zinc/27/46/25/429274625.db2.gz DNFBCWYFLQMRGM-GOSISDBHSA-N 1 2 307.397 2.834 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000456344270 429282306 /nfs/dbraw/zinc/28/23/06/429282306.db2.gz FQWVTVRPOZFZRY-ZBFHGGJFSA-N 1 2 310.401 2.853 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nccs1 ZINC000425535172 429318114 /nfs/dbraw/zinc/31/81/14/429318114.db2.gz MYUDNWSPDLPCKZ-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000425535172 429318115 /nfs/dbraw/zinc/31/81/15/429318115.db2.gz MYUDNWSPDLPCKZ-NSHDSACASA-N 1 2 300.387 2.646 20 30 DFEDLO N#Cc1cccc(C#N)c1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000365455364 429322083 /nfs/dbraw/zinc/32/20/83/429322083.db2.gz CRBZEMXVORBFCE-UHFFFAOYSA-N 1 2 300.325 2.623 20 30 DFEDLO C[C@H](C[N@H+](CCC#N)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449023154 429324403 /nfs/dbraw/zinc/32/44/03/429324403.db2.gz NZDCLOGLALUPDR-CQSZACIVSA-N 1 2 320.458 2.819 20 30 DFEDLO C[C@H](C[N@@H+](CCC#N)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449023154 429324406 /nfs/dbraw/zinc/32/44/06/429324406.db2.gz NZDCLOGLALUPDR-CQSZACIVSA-N 1 2 320.458 2.819 20 30 DFEDLO N#CCc1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000456732478 429342699 /nfs/dbraw/zinc/34/26/99/429342699.db2.gz NFGVKEMYMZZDOX-GOSISDBHSA-N 1 2 305.381 2.966 20 30 DFEDLO N#CCc1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000456732478 429342703 /nfs/dbraw/zinc/34/27/03/429342703.db2.gz NFGVKEMYMZZDOX-GOSISDBHSA-N 1 2 305.381 2.966 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446759455 429301575 /nfs/dbraw/zinc/30/15/75/429301575.db2.gz CEMFUUPDPNNTIN-NXHRZFHOSA-N 1 2 315.388 2.983 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446759455 429301578 /nfs/dbraw/zinc/30/15/78/429301578.db2.gz CEMFUUPDPNNTIN-NXHRZFHOSA-N 1 2 315.388 2.983 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000456426093 429303866 /nfs/dbraw/zinc/30/38/66/429303866.db2.gz QKZHDOVILCXEIX-SWLSCSKDSA-N 1 2 306.369 2.609 20 30 DFEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000425477016 429304545 /nfs/dbraw/zinc/30/45/45/429304545.db2.gz AOYJUSWXHMYSLH-LLVKDONJSA-N 1 2 315.398 2.847 20 30 DFEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)[C@@H]1CCc2ccccc21 ZINC000491724841 429396660 /nfs/dbraw/zinc/39/66/60/429396660.db2.gz HCIJCZJYSCDHCH-LJQANCHMSA-N 1 2 306.413 2.811 20 30 DFEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)[C@@H]1CCc2ccccc21 ZINC000491724841 429396666 /nfs/dbraw/zinc/39/66/66/429396666.db2.gz HCIJCZJYSCDHCH-LJQANCHMSA-N 1 2 306.413 2.811 20 30 DFEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000491743950 429400626 /nfs/dbraw/zinc/40/06/26/429400626.db2.gz YPKVCJPZWSFVEI-BBRMVZONSA-N 1 2 313.788 2.590 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(-c3ccccc3)n[nH]2)n1 ZINC000491771703 429406015 /nfs/dbraw/zinc/40/60/15/429406015.db2.gz SEFNXMGSAUJMJW-UHFFFAOYSA-N 1 2 319.412 2.929 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(-c3ccccc3)n[nH]2)n1 ZINC000491771703 429406018 /nfs/dbraw/zinc/40/60/18/429406018.db2.gz SEFNXMGSAUJMJW-UHFFFAOYSA-N 1 2 319.412 2.929 20 30 DFEDLO N#Cc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000491418799 429357279 /nfs/dbraw/zinc/35/72/79/429357279.db2.gz PHMWWBBWNUFQSQ-AATRIKPKSA-N 1 2 306.369 2.632 20 30 DFEDLO N#Cc1ccc2[nH+]cc(/C=C3/Oc4cc(F)ccc4C3=O)n2c1 ZINC000365708869 429362443 /nfs/dbraw/zinc/36/24/43/429362443.db2.gz WIPBPKKMMGTBKA-GIDUJCDVSA-N 1 2 305.268 2.961 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)c(F)c2)n1 ZINC000491452959 429362989 /nfs/dbraw/zinc/36/29/89/429362989.db2.gz OSBRKSPDGAEHDJ-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)c(F)c2)n1 ZINC000491452959 429362991 /nfs/dbraw/zinc/36/29/91/429362991.db2.gz OSBRKSPDGAEHDJ-UHFFFAOYSA-N 1 2 315.392 2.612 20 30 DFEDLO C[C@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000514995430 429373807 /nfs/dbraw/zinc/37/38/07/429373807.db2.gz NXHGOPGQBRQTNG-GZMMTYOYSA-N 1 2 316.752 2.631 20 30 DFEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)c(C)c1 ZINC000515197830 429374677 /nfs/dbraw/zinc/37/46/77/429374677.db2.gz YNHAAAHCLVPDLC-UHFFFAOYSA-N 1 2 322.412 2.949 20 30 DFEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cn2)c(C)c1 ZINC000515197830 429374680 /nfs/dbraw/zinc/37/46/80/429374680.db2.gz YNHAAAHCLVPDLC-UHFFFAOYSA-N 1 2 322.412 2.949 20 30 DFEDLO C#CC(C)(C)[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000491622463 429379894 /nfs/dbraw/zinc/37/98/94/429379894.db2.gz HQIJMNPVKJMHPL-UHFFFAOYSA-N 1 2 323.322 2.525 20 30 DFEDLO C#CC(C)(C)[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000491622463 429379896 /nfs/dbraw/zinc/37/98/96/429379896.db2.gz HQIJMNPVKJMHPL-UHFFFAOYSA-N 1 2 323.322 2.525 20 30 DFEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(F)cc1 ZINC000491628953 429381200 /nfs/dbraw/zinc/38/12/00/429381200.db2.gz LSXPFCZMOZFOAY-TUKIKUTGSA-N 1 2 312.348 2.702 20 30 DFEDLO C#CC[NH+]1CCC(c2nc(-c3cc4nc[nH]c4c(C)c3)no2)CC1 ZINC000491635162 429381247 /nfs/dbraw/zinc/38/12/47/429381247.db2.gz VWBMUKARTYDUOT-UHFFFAOYSA-N 1 2 321.384 2.734 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516979131 429385062 /nfs/dbraw/zinc/38/50/62/429385062.db2.gz LROYFTRXYXQCSN-CYBMUJFWSA-N 1 2 301.365 2.942 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516979131 429385068 /nfs/dbraw/zinc/38/50/68/429385068.db2.gz LROYFTRXYXQCSN-CYBMUJFWSA-N 1 2 301.365 2.942 20 30 DFEDLO C=CCCCCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000520834871 429529843 /nfs/dbraw/zinc/52/98/43/429529843.db2.gz QJJIZDOUPKEWFF-UHFFFAOYSA-N 1 2 316.449 2.968 20 30 DFEDLO C=CCC[C@@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OCC ZINC000449657488 429471523 /nfs/dbraw/zinc/47/15/23/429471523.db2.gz PGPBFISJMOXPJZ-OAHLLOKOSA-N 1 2 301.390 2.630 20 30 DFEDLO C=CC[C@H](CC)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000519698735 429479947 /nfs/dbraw/zinc/47/99/47/429479947.db2.gz BDVSVJHSSSDTDO-WDEREUQCSA-N 1 2 303.328 2.927 20 30 DFEDLO C[C@@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000492162600 429479988 /nfs/dbraw/zinc/47/99/88/429479988.db2.gz MCBZBCUFCBNNJW-IMBIPOBTSA-N 1 2 320.396 2.878 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]1 ZINC000457642492 429500610 /nfs/dbraw/zinc/50/06/10/429500610.db2.gz BOPCYDTZESDYPV-UHFFFAOYSA-N 1 2 317.437 2.667 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000450145414 429573688 /nfs/dbraw/zinc/57/36/88/429573688.db2.gz JOBQAXNODFKDLB-DYVFJYSZSA-N 1 2 317.820 2.534 20 30 DFEDLO CC1=C[C@@H](C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266101 429669424 /nfs/dbraw/zinc/66/94/24/429669424.db2.gz GIYTVCKZXIYJGP-RISCZKNCSA-N 1 2 301.415 2.623 20 30 DFEDLO CC1=C[C@@H](C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000430266101 429669431 /nfs/dbraw/zinc/66/94/31/429669431.db2.gz GIYTVCKZXIYJGP-RISCZKNCSA-N 1 2 301.415 2.623 20 30 DFEDLO C#CCCCNC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367491836 429658852 /nfs/dbraw/zinc/65/88/52/429658852.db2.gz XRUJCMWAFWNNRO-INIZCTEOSA-N 1 2 319.836 2.752 20 30 DFEDLO C#CCCCNC(=O)N1CC[N@H+](C)[C@H](c2ccccc2Cl)C1 ZINC000367491836 429658857 /nfs/dbraw/zinc/65/88/57/429658857.db2.gz XRUJCMWAFWNNRO-INIZCTEOSA-N 1 2 319.836 2.752 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577403 429676315 /nfs/dbraw/zinc/67/63/15/429676315.db2.gz SVOZEPLEWVUTHX-AEFFLSMTSA-N 1 2 302.393 2.652 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](F)(c3cccc(C)c3)C2)C1=O ZINC000367577403 429676320 /nfs/dbraw/zinc/67/63/20/429676320.db2.gz SVOZEPLEWVUTHX-AEFFLSMTSA-N 1 2 302.393 2.652 20 30 DFEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@H]2O1 ZINC000366922662 276131640 /nfs/dbraw/zinc/13/16/40/276131640.db2.gz QHSFZWHBHYDICJ-HZPDHXFCSA-N 1 2 313.401 2.529 20 30 DFEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@H]2O1 ZINC000366922662 276131642 /nfs/dbraw/zinc/13/16/42/276131642.db2.gz QHSFZWHBHYDICJ-HZPDHXFCSA-N 1 2 313.401 2.529 20 30 DFEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493107805 429690042 /nfs/dbraw/zinc/69/00/42/429690042.db2.gz QNFJAZMKRGFUER-BQYQJAHWSA-N 1 2 308.385 2.979 20 30 DFEDLO Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000493108159 429690276 /nfs/dbraw/zinc/69/02/76/429690276.db2.gz RHGMVXKRHMLCFF-PTZVLDCSSA-N 1 2 305.809 2.622 20 30 DFEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccn(C)n1 ZINC000459799590 429702482 /nfs/dbraw/zinc/70/24/82/429702482.db2.gz VQXXUCIANJSCIM-JTQLQIEISA-N 1 2 319.206 2.905 20 30 DFEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127765 429725926 /nfs/dbraw/zinc/72/59/26/429725926.db2.gz KUJQSABQEDHPIL-STQMWFEESA-N 1 2 315.392 2.696 20 30 DFEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527127765 429725930 /nfs/dbraw/zinc/72/59/30/429725930.db2.gz KUJQSABQEDHPIL-STQMWFEESA-N 1 2 315.392 2.696 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C(=O)OC ZINC000482451028 429726621 /nfs/dbraw/zinc/72/66/21/429726621.db2.gz KDJVMLGEMYVHGC-LLLHUVSDSA-N 1 2 303.402 2.512 20 30 DFEDLO Cc1cc(C#N)cc(NCc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000367843423 429727052 /nfs/dbraw/zinc/72/70/52/429727052.db2.gz QXBIHHHEKIZLJH-UHFFFAOYSA-N 1 2 303.369 3.274 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C#N)s2)c1C ZINC000486912945 429753663 /nfs/dbraw/zinc/75/36/63/429753663.db2.gz LFBPPLLYAZDWLZ-UHFFFAOYSA-N 1 2 315.398 2.912 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000527622430 429767631 /nfs/dbraw/zinc/76/76/31/429767631.db2.gz SRCYFGCTIVIVAL-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CC(C)c1ncc2c(n1)CC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000527622430 429767634 /nfs/dbraw/zinc/76/76/34/429767634.db2.gz SRCYFGCTIVIVAL-UHFFFAOYSA-N 1 2 322.412 2.909 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493501211 429775637 /nfs/dbraw/zinc/77/56/37/429775637.db2.gz UJDDDDSACFHIDR-RUDMXATFSA-N 1 2 310.357 2.768 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451196944 429787068 /nfs/dbraw/zinc/78/70/68/429787068.db2.gz NRXUUBZUTGOOCP-JKSUJKDBSA-N 1 2 317.408 2.982 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](F)C2)c1 ZINC000451196944 429787070 /nfs/dbraw/zinc/78/70/70/429787070.db2.gz NRXUUBZUTGOOCP-JKSUJKDBSA-N 1 2 317.408 2.982 20 30 DFEDLO CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368567929 429868644 /nfs/dbraw/zinc/86/86/44/429868644.db2.gz OTQVULDHCXWZAH-JQHSSLGASA-N 1 2 301.434 2.558 20 30 DFEDLO CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368567929 429868648 /nfs/dbraw/zinc/86/86/48/429868648.db2.gz OTQVULDHCXWZAH-JQHSSLGASA-N 1 2 301.434 2.558 20 30 DFEDLO Cc1c(Cl)cnc(NCc2cccnc2-n2cc[nH+]c2)c1C#N ZINC000368338549 429832984 /nfs/dbraw/zinc/83/29/84/429832984.db2.gz GPRHTXUFQWXRPT-UHFFFAOYSA-N 1 2 324.775 3.108 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000528582116 429900897 /nfs/dbraw/zinc/90/08/97/429900897.db2.gz MILXKXPIZHTBOD-OAHLLOKOSA-N 1 2 314.433 2.617 20 30 DFEDLO C[NH+](C)[C@@]1(C(=O)Nc2cccc(C#N)c2)CCOc2ccccc21 ZINC000369087184 429911817 /nfs/dbraw/zinc/91/18/17/429911817.db2.gz FJTHLUULEMQZMD-IBGZPJMESA-N 1 2 321.380 2.736 20 30 DFEDLO N#Cc1ccc(C2([NH2+]Cc3noc(C4CC4)n3)CCOCC2)cc1 ZINC000528782035 429915598 /nfs/dbraw/zinc/91/55/98/429915598.db2.gz JPENJZRYDFZZSJ-UHFFFAOYSA-N 1 2 324.384 2.614 20 30 DFEDLO N#CCOc1ccc(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000369177906 429917292 /nfs/dbraw/zinc/91/72/92/429917292.db2.gz VYVOJNMPKMUBET-INIZCTEOSA-N 1 2 324.384 2.608 20 30 DFEDLO Cc1[nH+]c2cc(NC(=O)c3ncc(C#N)cc3C)ccc2n1C ZINC000560085139 430021077 /nfs/dbraw/zinc/02/10/77/430021077.db2.gz YRFOQHMFQCHEDG-UHFFFAOYSA-N 1 2 305.341 2.709 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000531841558 430149832 /nfs/dbraw/zinc/14/98/32/430149832.db2.gz UXBXVGPZCYCALR-KGLIPLIRSA-N 1 2 317.408 2.753 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000531841558 430149834 /nfs/dbraw/zinc/14/98/34/430149834.db2.gz UXBXVGPZCYCALR-KGLIPLIRSA-N 1 2 317.408 2.753 20 30 DFEDLO COc1coc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1=O ZINC000531870174 430148949 /nfs/dbraw/zinc/14/89/49/430148949.db2.gz YSBOBUGUZGWJBN-IRXDYDNUSA-N 1 2 324.380 2.920 20 30 DFEDLO COc1coc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1=O ZINC000531870174 430148953 /nfs/dbraw/zinc/14/89/53/430148953.db2.gz YSBOBUGUZGWJBN-IRXDYDNUSA-N 1 2 324.380 2.920 20 30 DFEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)c(C#N)c1C ZINC000541021912 430183700 /nfs/dbraw/zinc/18/37/00/430183700.db2.gz UIHUOECLILFQRD-GFCCVEGCSA-N 1 2 314.389 2.721 20 30 DFEDLO Cc1cc(CNC(=O)NCc2ccc(CC#N)cc2)cc(C)[nH+]1 ZINC000564901824 430201595 /nfs/dbraw/zinc/20/15/95/430201595.db2.gz SWQCOKUVFWCMRD-UHFFFAOYSA-N 1 2 308.385 2.764 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N1CCSc2ccccc21 ZINC000564585021 430197174 /nfs/dbraw/zinc/19/71/74/430197174.db2.gz MGTNNYLTXPHFOS-OLZOCXBDSA-N 1 2 303.431 2.796 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000248946024 277342077 /nfs/dbraw/zinc/34/20/77/277342077.db2.gz ANEKIFLVXFMADG-SWLSCSKDSA-N 1 2 304.415 2.600 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000248946024 277342078 /nfs/dbraw/zinc/34/20/78/277342078.db2.gz ANEKIFLVXFMADG-SWLSCSKDSA-N 1 2 304.415 2.600 20 30 DFEDLO N#CC1CCC(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000566669015 430270569 /nfs/dbraw/zinc/27/05/69/430270569.db2.gz LUORKLLEOLAQHH-FVKWTLKZSA-N 1 2 313.380 2.953 20 30 DFEDLO N#CC1CCC(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000566669015 430270573 /nfs/dbraw/zinc/27/05/73/430270573.db2.gz LUORKLLEOLAQHH-FVKWTLKZSA-N 1 2 313.380 2.953 20 30 DFEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1ccc(C#N)cn1)CCCC2 ZINC000582255957 430284083 /nfs/dbraw/zinc/28/40/83/430284083.db2.gz UVFOSJHFMGFXSW-SFHVURJKSA-N 1 2 321.428 2.903 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2csc(C3CCCC3)n2)nn1 ZINC000641014063 430303173 /nfs/dbraw/zinc/30/31/73/430303173.db2.gz JMVNPNXRQFGEHF-UHFFFAOYSA-N 1 2 315.446 2.553 20 30 DFEDLO C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995630 430303657 /nfs/dbraw/zinc/30/36/57/430303657.db2.gz QLRDGHBBZGGDBA-LRDDRELGSA-N 1 2 323.437 2.514 20 30 DFEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C(C)C)ccc2OC)nn1 ZINC000641176395 430354616 /nfs/dbraw/zinc/35/46/16/430354616.db2.gz UZMPDONJOUNXDK-UHFFFAOYSA-N 1 2 312.417 2.571 20 30 DFEDLO Cn1c[nH+]c(CCNc2nc3c(cc2C#N)CCCC3(C)C)c1 ZINC000568843832 430397801 /nfs/dbraw/zinc/39/78/01/430397801.db2.gz NWVYETMFVTWDGK-UHFFFAOYSA-N 1 2 309.417 2.955 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000583997748 430449539 /nfs/dbraw/zinc/44/95/39/430449539.db2.gz RNFPOYVJDZSIFP-USBNGQNGSA-N 1 2 323.799 2.543 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000583997746 430450278 /nfs/dbraw/zinc/45/02/78/430450278.db2.gz RNFPOYVJDZSIFP-GDLVEWKHSA-N 1 2 323.799 2.543 20 30 DFEDLO N#CCCCCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000588372481 430483692 /nfs/dbraw/zinc/48/36/92/430483692.db2.gz WHTZMMDVAPYHTL-UHFFFAOYSA-N 1 2 310.401 3.237 20 30 DFEDLO C=CC[C@H]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000636251354 430495380 /nfs/dbraw/zinc/49/53/80/430495380.db2.gz FNGIYBBVIPIASH-RYUDHWBXSA-N 1 2 301.312 2.801 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000569919174 430497200 /nfs/dbraw/zinc/49/72/00/430497200.db2.gz NNYASECYJBXPMB-IBGZPJMESA-N 1 2 324.428 2.513 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000569989923 430503279 /nfs/dbraw/zinc/50/32/79/430503279.db2.gz IGPLKTWWIJBCEY-MJGOQNOKSA-N 1 2 323.371 2.655 20 30 DFEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000569989923 430503284 /nfs/dbraw/zinc/50/32/84/430503284.db2.gz IGPLKTWWIJBCEY-MJGOQNOKSA-N 1 2 323.371 2.655 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618225 430503523 /nfs/dbraw/zinc/50/35/23/430503523.db2.gz ZHLUQOQZYZLAAM-GJZGRUSLSA-N 1 2 318.421 3.106 20 30 DFEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618225 430503527 /nfs/dbraw/zinc/50/35/27/430503527.db2.gz ZHLUQOQZYZLAAM-GJZGRUSLSA-N 1 2 318.421 3.106 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1C#N ZINC000599258665 430529752 /nfs/dbraw/zinc/52/97/52/430529752.db2.gz QTZHAOVHCAZTFR-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000599258665 430529758 /nfs/dbraw/zinc/52/97/58/430529758.db2.gz QTZHAOVHCAZTFR-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO COc1cc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)ccc1C#N ZINC000601166583 430539152 /nfs/dbraw/zinc/53/91/52/430539152.db2.gz OOMPHTZLCLITQF-UHFFFAOYSA-N 1 2 319.368 3.328 20 30 DFEDLO N#Cc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1Cl ZINC000619747253 430597634 /nfs/dbraw/zinc/59/76/34/430597634.db2.gz OXUNUCRUPBMZIT-UHFFFAOYSA-N 1 2 313.792 3.436 20 30 DFEDLO N#Cc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1Cl ZINC000619747253 430597636 /nfs/dbraw/zinc/59/76/36/430597636.db2.gz OXUNUCRUPBMZIT-UHFFFAOYSA-N 1 2 313.792 3.436 20 30 DFEDLO C=CCNC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000639288113 430599488 /nfs/dbraw/zinc/59/94/88/430599488.db2.gz AZQDUOHJRVQVOX-INIZCTEOSA-N 1 2 310.401 2.899 20 30 DFEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)s1 ZINC000571191953 430611496 /nfs/dbraw/zinc/61/14/96/430611496.db2.gz ONCIBMOOAQZHJG-UHFFFAOYSA-N 1 2 317.443 2.575 20 30 DFEDLO N#Cc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)s1 ZINC000571191953 430611499 /nfs/dbraw/zinc/61/14/99/430611499.db2.gz ONCIBMOOAQZHJG-UHFFFAOYSA-N 1 2 317.443 2.575 20 30 DFEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CC#Cc2ccccc2Cl)C1 ZINC000643857049 430636713 /nfs/dbraw/zinc/63/67/13/430636713.db2.gz PINXGXDEEQIHIF-ZBFHGGJFSA-N 1 2 315.804 2.877 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000572055567 430670420 /nfs/dbraw/zinc/67/04/20/430670420.db2.gz JRBRFKUQJJTAOZ-KRWDZBQOSA-N 1 2 313.445 2.896 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000555669642 430672600 /nfs/dbraw/zinc/67/26/00/430672600.db2.gz GQXXYSCPHWGPPC-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000555669642 430672601 /nfs/dbraw/zinc/67/26/01/430672601.db2.gz GQXXYSCPHWGPPC-UHFFFAOYSA-N 1 2 308.385 2.641 20 30 DFEDLO N#Cc1ccc(N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)cc1 ZINC000556165181 430680214 /nfs/dbraw/zinc/68/02/14/430680214.db2.gz PEYMBXZOVOKSDC-UHFFFAOYSA-N 1 2 323.400 2.577 20 30 DFEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)[nH]1 ZINC000556626902 430687464 /nfs/dbraw/zinc/68/74/64/430687464.db2.gz RBVIGEARTRNKRQ-NEPJUHHUSA-N 1 2 323.404 2.688 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1=O ZINC000661438034 430716958 /nfs/dbraw/zinc/71/69/58/430716958.db2.gz RRAYSMRYGJHXJB-HOCLYGCPSA-N 1 2 300.402 2.984 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1=O ZINC000661438034 430716963 /nfs/dbraw/zinc/71/69/63/430716963.db2.gz RRAYSMRYGJHXJB-HOCLYGCPSA-N 1 2 300.402 2.984 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838605 430759983 /nfs/dbraw/zinc/75/99/83/430759983.db2.gz VJEMLEIDYNOKQZ-KRWDZBQOSA-N 1 2 301.434 2.889 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838605 430759988 /nfs/dbraw/zinc/75/99/88/430759988.db2.gz VJEMLEIDYNOKQZ-KRWDZBQOSA-N 1 2 301.434 2.889 20 30 DFEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000661572721 430761895 /nfs/dbraw/zinc/76/18/95/430761895.db2.gz YCZNHLWCKZLCCF-CQSZACIVSA-N 1 2 302.353 2.524 20 30 DFEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000661571177 430762577 /nfs/dbraw/zinc/76/25/77/430762577.db2.gz CUEVQZYWVFPMND-UHFFFAOYSA-N 1 2 307.825 2.743 20 30 DFEDLO C=CCn1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)nn1 ZINC000648721545 430868549 /nfs/dbraw/zinc/86/85/49/430868549.db2.gz WWDUFTPMQQPYGV-UHFFFAOYSA-N 1 2 324.388 2.890 20 30 DFEDLO CC#CC[C@@H](CO)Nc1cc(N(CC)c2ccccc2)nc[nH+]1 ZINC000645407201 430994893 /nfs/dbraw/zinc/99/48/93/430994893.db2.gz MKHXASRCHOORPV-HNNXBMFYSA-N 1 2 310.401 2.821 20 30 DFEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000665901413 431063887 /nfs/dbraw/zinc/06/38/87/431063887.db2.gz ZPYQHGBJDZOUOP-QGZVFWFLSA-N 1 2 324.428 2.904 20 30 DFEDLO C=CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000665943143 431073157 /nfs/dbraw/zinc/07/31/57/431073157.db2.gz OQLMFYQJKCCCJA-STQMWFEESA-N 1 2 311.426 2.536 20 30 DFEDLO C=CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000665943143 431073160 /nfs/dbraw/zinc/07/31/60/431073160.db2.gz OQLMFYQJKCCCJA-STQMWFEESA-N 1 2 311.426 2.536 20 30 DFEDLO C=CCC1(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000649506669 431131203 /nfs/dbraw/zinc/13/12/03/431131203.db2.gz TUHBZASPHXRGCF-HNNXBMFYSA-N 1 2 316.449 2.751 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660143108 431289489 /nfs/dbraw/zinc/28/94/89/431289489.db2.gz LYDQSOUGRPOMRM-CYBMUJFWSA-N 1 2 318.446 2.506 20 30 DFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215495 431323702 /nfs/dbraw/zinc/32/37/02/431323702.db2.gz KOKAJVGQLYEQIR-HZPDHXFCSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccc(F)cc2)nn1 ZINC000653474915 431393312 /nfs/dbraw/zinc/39/33/12/431393312.db2.gz HABFWPRVEKRYGX-UHFFFAOYSA-N 1 2 304.369 2.504 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccc(F)cc2)nn1 ZINC000653474915 431393318 /nfs/dbraw/zinc/39/33/18/431393318.db2.gz HABFWPRVEKRYGX-UHFFFAOYSA-N 1 2 304.369 2.504 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)nn1 ZINC000653586813 431448653 /nfs/dbraw/zinc/44/86/53/431448653.db2.gz CFNBDKLOFPQROR-SFHVURJKSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)nn1 ZINC000653586813 431448659 /nfs/dbraw/zinc/44/86/59/431448659.db2.gz CFNBDKLOFPQROR-SFHVURJKSA-N 1 2 314.433 2.627 20 30 DFEDLO C=CCCn1cc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)nn1 ZINC000653613834 431459644 /nfs/dbraw/zinc/45/96/44/431459644.db2.gz BWSSPHSVDKNZIC-HNNXBMFYSA-N 1 2 304.394 2.623 20 30 DFEDLO C=CCCn1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)nn1 ZINC000653556262 431434293 /nfs/dbraw/zinc/43/42/93/431434293.db2.gz XKANJZRCLUNVSJ-UHFFFAOYSA-N 1 2 312.417 2.972 20 30 DFEDLO C=CCCn1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nn1 ZINC000653556262 431434298 /nfs/dbraw/zinc/43/42/98/431434298.db2.gz XKANJZRCLUNVSJ-UHFFFAOYSA-N 1 2 312.417 2.972 20 30 DFEDLO C=C(C)C[N@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000660443936 431434725 /nfs/dbraw/zinc/43/47/25/431434725.db2.gz KSMDYKCLAOIYOB-UHFFFAOYSA-N 1 2 320.414 2.505 20 30 DFEDLO C=C(C)C[N@@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000660443936 431434731 /nfs/dbraw/zinc/43/47/31/431434731.db2.gz KSMDYKCLAOIYOB-UHFFFAOYSA-N 1 2 320.414 2.505 20 30 DFEDLO C=CCOCCNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000664560173 431818173 /nfs/dbraw/zinc/81/81/73/431818173.db2.gz GFZHPJSKTKAGCU-PBHICJAKSA-N 1 2 320.437 2.707 20 30 DFEDLO C=CCOCCNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)[nH+]cn1 ZINC000664560173 431818178 /nfs/dbraw/zinc/81/81/78/431818178.db2.gz GFZHPJSKTKAGCU-PBHICJAKSA-N 1 2 320.437 2.707 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664571883 431821029 /nfs/dbraw/zinc/82/10/29/431821029.db2.gz KQVRVMBAJXCIPJ-XHSDSOJGSA-N 1 2 314.433 2.515 20 30 DFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000664571883 431821034 /nfs/dbraw/zinc/82/10/34/431821034.db2.gz KQVRVMBAJXCIPJ-XHSDSOJGSA-N 1 2 314.433 2.515 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCN1CC(F)F ZINC000153558555 289051419 /nfs/dbraw/zinc/05/14/19/289051419.db2.gz URLVFPVVCCXDKW-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCN1CC(F)F ZINC000153558555 289051421 /nfs/dbraw/zinc/05/14/21/289051421.db2.gz URLVFPVVCCXDKW-AWEZNQCLSA-N 1 2 311.351 2.859 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1Cl ZINC000375103026 294896288 /nfs/dbraw/zinc/89/62/88/294896288.db2.gz WBXDEMHPTBBSLU-GFCCVEGCSA-N 1 2 315.764 2.697 20 30 DFEDLO CCNC(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000535839925 301263866 /nfs/dbraw/zinc/26/38/66/301263866.db2.gz RAVLMJZEXNWICU-UHFFFAOYSA-N 1 2 319.368 2.568 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccsc3C2)c1C#N ZINC000536369118 301272821 /nfs/dbraw/zinc/27/28/21/301272821.db2.gz MGPDZFBBQSCIQJ-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO COC(=O)c1cccc(C[N@H+]2CCc3ccsc3C2)c1C#N ZINC000536369118 301272823 /nfs/dbraw/zinc/27/28/23/301272823.db2.gz MGPDZFBBQSCIQJ-UHFFFAOYSA-N 1 2 312.394 2.965 20 30 DFEDLO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)no1 ZINC000538695790 301327661 /nfs/dbraw/zinc/32/76/61/301327661.db2.gz ZDZJYWHPGWYCMV-UHFFFAOYSA-N 1 2 307.357 2.545 20 30 DFEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000539314995 301340278 /nfs/dbraw/zinc/34/02/78/301340278.db2.gz RMZRSDPCRBTGMR-SFHVURJKSA-N 1 2 324.380 2.822 20 30 DFEDLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(C#N)cc1 ZINC000539496739 301343509 /nfs/dbraw/zinc/34/35/09/301343509.db2.gz SNHQIXXWXBHDKC-SECBINFHSA-N 1 2 305.179 2.895 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)s1 ZINC000540792738 301369131 /nfs/dbraw/zinc/36/91/31/301369131.db2.gz GRILIDFZQDGFRV-UHFFFAOYSA-N 1 2 313.361 2.834 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)s1 ZINC000540792738 301369133 /nfs/dbraw/zinc/36/91/33/301369133.db2.gz GRILIDFZQDGFRV-UHFFFAOYSA-N 1 2 313.361 2.834 20 30 DFEDLO CCC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000541717112 301395095 /nfs/dbraw/zinc/39/50/95/301395095.db2.gz KLGPKISWSWHZKO-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OC(C)(C)C ZINC000541717112 301395097 /nfs/dbraw/zinc/39/50/97/301395097.db2.gz KLGPKISWSWHZKO-UHFFFAOYSA-N 1 2 318.417 2.991 20 30 DFEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000558950379 301863240 /nfs/dbraw/zinc/86/32/40/301863240.db2.gz KWSLXJZUZCQHJM-UHFFFAOYSA-N 1 2 303.325 2.700 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccsc3)CC2)c1Cl ZINC000561098594 301922774 /nfs/dbraw/zinc/92/27/74/301922774.db2.gz CDVOPSLBYSUQAY-UHFFFAOYSA-N 1 2 318.833 2.990 20 30 DFEDLO CCc1[nH+]c2cc(CNc3ncncc3C#N)ccc2n1C1CC1 ZINC000563034858 302029038 /nfs/dbraw/zinc/02/90/38/302029038.db2.gz KVNYWJGSCMHARJ-UHFFFAOYSA-N 1 2 318.384 2.629 20 30 DFEDLO Cc1csc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000565164372 302199944 /nfs/dbraw/zinc/19/99/44/302199944.db2.gz TYSRTSHQGSKBOP-UHFFFAOYSA-N 1 2 315.402 2.994 20 30 DFEDLO Cc1cccn2cc(CC(=O)Nc3ccc(C#N)c(C#N)c3)[nH+]c12 ZINC000567151672 302339892 /nfs/dbraw/zinc/33/98/92/302339892.db2.gz YHTCBYUFORUPCQ-UHFFFAOYSA-N 1 2 315.336 2.567 20 30 DFEDLO N#Cc1cccc(C#N)c1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302902012 303202373 /nfs/dbraw/zinc/20/23/73/303202373.db2.gz UARKJIWGSOJXHF-UHFFFAOYSA-N 1 2 303.369 2.542 20 30 DFEDLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000185088933 316179554 /nfs/dbraw/zinc/17/95/54/316179554.db2.gz MMHDCVJBPYYJAY-ZDUSSCGKSA-N 1 2 300.387 2.694 20 30 DFEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000574592533 318026894 /nfs/dbraw/zinc/02/68/94/318026894.db2.gz PFFLOAJEPGDNBF-INIZCTEOSA-N 1 2 320.352 2.713 20 30 DFEDLO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(O[C@@H]2CCOC2)c1 ZINC000578620556 318272948 /nfs/dbraw/zinc/27/29/48/318272948.db2.gz KKHNGSOLINIOBL-QGZVFWFLSA-N 1 2 323.396 2.772 20 30 DFEDLO N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CCCCc3ccccc31)C2 ZINC000579958491 318366317 /nfs/dbraw/zinc/36/63/17/318366317.db2.gz GSOSGORQCSUFLL-AWEZNQCLSA-N 1 2 307.401 2.639 20 30 DFEDLO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCCCc3ccccc31)C2 ZINC000579958491 318366318 /nfs/dbraw/zinc/36/63/18/318366318.db2.gz GSOSGORQCSUFLL-AWEZNQCLSA-N 1 2 307.401 2.639 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC000427077093 332166453 /nfs/dbraw/zinc/16/64/53/332166453.db2.gz LOAZSXQHXXSSDK-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC000427077093 332166454 /nfs/dbraw/zinc/16/64/54/332166454.db2.gz LOAZSXQHXXSSDK-FUHWJXTLSA-N 1 2 316.445 2.573 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479260 332239378 /nfs/dbraw/zinc/23/93/78/332239378.db2.gz YPUOYNAPTNTKGJ-CYBMUJFWSA-N 1 2 300.337 2.969 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479260 332239379 /nfs/dbraw/zinc/23/93/79/332239379.db2.gz YPUOYNAPTNTKGJ-CYBMUJFWSA-N 1 2 300.337 2.969 20 30 DFEDLO N#CCOc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000109281921 332278370 /nfs/dbraw/zinc/27/83/70/332278370.db2.gz HBRUNWCVKYPOIE-UHFFFAOYSA-N 1 2 324.384 2.606 20 30 DFEDLO N#CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000109736960 332283412 /nfs/dbraw/zinc/28/34/12/332283412.db2.gz PFJBMQLYDLONQR-UHFFFAOYSA-N 1 2 313.401 2.541 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000119744738 332284500 /nfs/dbraw/zinc/28/45/00/332284500.db2.gz LSVSQYSPPVPMRI-IBGZPJMESA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000119744738 332284501 /nfs/dbraw/zinc/28/45/01/332284501.db2.gz LSVSQYSPPVPMRI-IBGZPJMESA-N 1 2 322.408 2.664 20 30 DFEDLO C=CCC(F)(F)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000293293277 335103426 /nfs/dbraw/zinc/10/34/26/335103426.db2.gz YCOBIDKVCCRNQZ-UHFFFAOYSA-N 1 2 324.371 2.977 20 30 DFEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000293092804 335100032 /nfs/dbraw/zinc/10/00/32/335100032.db2.gz KKWVMCHLDOTIDT-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000293092804 335100034 /nfs/dbraw/zinc/10/00/34/335100034.db2.gz KKWVMCHLDOTIDT-UHFFFAOYSA-N 1 2 314.385 2.622 20 30 DFEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000293104222 335100155 /nfs/dbraw/zinc/10/01/55/335100155.db2.gz LFNQCGCZPQIBMO-INIZCTEOSA-N 1 2 324.428 2.771 20 30 DFEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000293104222 335100157 /nfs/dbraw/zinc/10/01/57/335100157.db2.gz LFNQCGCZPQIBMO-INIZCTEOSA-N 1 2 324.428 2.771 20 30 DFEDLO CCCCc1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000114185963 332325403 /nfs/dbraw/zinc/32/54/03/332325403.db2.gz USFZIFZVKDKAHI-UHFFFAOYSA-N 1 2 308.769 2.903 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000293290653 335103298 /nfs/dbraw/zinc/10/32/98/335103298.db2.gz YHQGGUKKUDNZLP-AWEZNQCLSA-N 1 2 304.438 2.700 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000293290653 335103299 /nfs/dbraw/zinc/10/32/99/335103299.db2.gz YHQGGUKKUDNZLP-AWEZNQCLSA-N 1 2 304.438 2.700 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000293290656 335103306 /nfs/dbraw/zinc/10/33/06/335103306.db2.gz YHQGGUKKUDNZLP-CQSZACIVSA-N 1 2 304.438 2.700 20 30 DFEDLO C=CCC(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000293290656 335103308 /nfs/dbraw/zinc/10/33/08/335103308.db2.gz YHQGGUKKUDNZLP-CQSZACIVSA-N 1 2 304.438 2.700 20 30 DFEDLO CCOC(=O)[C@@H]1CC[C@H](/[NH+]=C/c2cc(OCC)ccc2O)C1 ZINC000121555240 332396900 /nfs/dbraw/zinc/39/69/00/332396900.db2.gz YCSKIXZCNIHXHI-XAXRJAIVSA-N 1 2 305.374 2.942 20 30 DFEDLO CC#CC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000525633132 332403649 /nfs/dbraw/zinc/40/36/49/332403649.db2.gz MBSWLTFHAQEVGU-UHFFFAOYSA-N 1 2 311.454 2.951 20 30 DFEDLO CCCCc1noc([C@H](C)O[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000122197274 332404818 /nfs/dbraw/zinc/40/48/18/332404818.db2.gz IJLSSXOMCOWOSZ-NSHDSACASA-N 1 2 318.377 2.819 20 30 DFEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000123420762 332423998 /nfs/dbraw/zinc/42/39/98/332423998.db2.gz KBAYAAFGHYTUOG-UHFFFAOYSA-N 1 2 310.304 2.528 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371677 335109055 /nfs/dbraw/zinc/10/90/55/335109055.db2.gz AYBHXYQPSBHMNV-ZIAGYGMSSA-N 1 2 320.462 2.678 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371677 335109056 /nfs/dbraw/zinc/10/90/56/335109056.db2.gz AYBHXYQPSBHMNV-ZIAGYGMSSA-N 1 2 320.462 2.678 20 30 DFEDLO C#C[C@@H](NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000491415519 333082308 /nfs/dbraw/zinc/08/23/08/333082308.db2.gz HKYGYRGLCFNABF-OAHLLOKOSA-N 1 2 302.809 2.604 20 30 DFEDLO C=CCC(F)(F)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000294274772 335120499 /nfs/dbraw/zinc/12/04/99/335120499.db2.gz VRDOFBBWMCAROW-UHFFFAOYSA-N 1 2 323.387 2.584 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000294316901 335121008 /nfs/dbraw/zinc/12/10/08/335121008.db2.gz CZXQWSSMXKFBJT-KRWDZBQOSA-N 1 2 316.445 2.697 20 30 DFEDLO C#CCN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CCCCC1 ZINC000491475104 333104387 /nfs/dbraw/zinc/10/43/87/333104387.db2.gz SSRHLXQCLGMVCF-UHFFFAOYSA-N 1 2 312.404 2.758 20 30 DFEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000178144552 333135521 /nfs/dbraw/zinc/13/55/21/333135521.db2.gz GUHRIBLLLRFTTO-SECBINFHSA-N 1 2 320.374 2.952 20 30 DFEDLO O=C1C[C@H](C/[NH+]=C/c2ccccc2O)CN1Cc1ccccc1 ZINC000179366471 333149760 /nfs/dbraw/zinc/14/97/60/333149760.db2.gz XNJSODUWGKKZCK-DDLUMYACSA-N 1 2 308.381 2.860 20 30 DFEDLO C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Cn1cc[nH+]c1 ZINC000180449353 333162040 /nfs/dbraw/zinc/16/20/40/333162040.db2.gz QAGZAMSNKVBYKU-AWEZNQCLSA-N 1 2 308.385 2.504 20 30 DFEDLO CSCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000181882562 333173201 /nfs/dbraw/zinc/17/32/01/333173201.db2.gz CLCTYEMLTZFYCI-UHFFFAOYSA-N 1 2 317.414 2.661 20 30 DFEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182168428 333176609 /nfs/dbraw/zinc/17/66/09/333176609.db2.gz LOPBVHATFWLCMI-HNNXBMFYSA-N 1 2 321.783 2.820 20 30 DFEDLO CC(C)(C#N)CCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186841681 333223751 /nfs/dbraw/zinc/22/37/51/333223751.db2.gz SIYRNAITQWKRRM-UHFFFAOYSA-N 1 2 311.332 2.962 20 30 DFEDLO NC(=[NH+]OCC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000189222530 333256082 /nfs/dbraw/zinc/25/60/82/333256082.db2.gz JMAKGOMNOVJRJW-LBPRGKRZSA-N 1 2 302.296 2.911 20 30 DFEDLO C[C@H](CCN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000191056010 333277086 /nfs/dbraw/zinc/27/70/86/333277086.db2.gz XWDTXKIVUDFFJA-GOSISDBHSA-N 1 2 315.461 2.728 20 30 DFEDLO COCCN(C)c1ccc(/C=C2/Cc3cc(O)ccc3C2=O)c[nH+]1 ZINC000191341114 333279479 /nfs/dbraw/zinc/27/94/79/333279479.db2.gz JAXDHDDPINGUQD-DHDCSXOGSA-N 1 2 324.380 2.692 20 30 DFEDLO C=CCCCCCN(C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000364373549 333301761 /nfs/dbraw/zinc/30/17/61/333301761.db2.gz HMKOIAGMLXXPNU-UHFFFAOYSA-N 1 2 321.509 2.751 20 30 DFEDLO CCCCCCCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000194789785 333316122 /nfs/dbraw/zinc/31/61/22/333316122.db2.gz BBUNUWVINRDEEX-UHFFFAOYSA-N 1 2 322.434 2.979 20 30 DFEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000497994230 333318682 /nfs/dbraw/zinc/31/86/82/333318682.db2.gz MXOLFJUUJHAMIZ-CZUORRHYSA-N 1 2 301.434 2.962 20 30 DFEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000497994230 333318683 /nfs/dbraw/zinc/31/86/83/333318683.db2.gz MXOLFJUUJHAMIZ-CZUORRHYSA-N 1 2 301.434 2.962 20 30 DFEDLO C#Cc1ccccc1CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295362338 335133692 /nfs/dbraw/zinc/13/36/92/335133692.db2.gz CMSSGCXRMHBYSJ-KRWDZBQOSA-N 1 2 307.397 2.554 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000185519706 335137847 /nfs/dbraw/zinc/13/78/47/335137847.db2.gz OODOBJSHXXAURB-CYBMUJFWSA-N 1 2 307.463 2.698 20 30 DFEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057907840 333397851 /nfs/dbraw/zinc/39/78/51/333397851.db2.gz FJSGRRUIZPZCEE-UHFFFAOYSA-N 1 2 322.206 2.623 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000337604312 333455093 /nfs/dbraw/zinc/45/50/93/333455093.db2.gz OYDLMKCGRLFYSX-HNNXBMFYSA-N 1 2 317.433 2.647 20 30 DFEDLO CC#CCCCC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000185576675 335141280 /nfs/dbraw/zinc/14/12/80/335141280.db2.gz DCJGWBBDKPTMSQ-OAHLLOKOSA-N 1 2 308.372 2.877 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)OCC ZINC000339432401 333524931 /nfs/dbraw/zinc/52/49/31/333524931.db2.gz NWKFXFUYIOFCTM-MRXNPFEDSA-N 1 2 322.474 2.764 20 30 DFEDLO C#CCO[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000296542190 335146164 /nfs/dbraw/zinc/14/61/64/335146164.db2.gz NZVJIMNSRCHIIV-CQSZACIVSA-N 1 2 321.380 2.579 20 30 DFEDLO C=CCNC(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185929423 335155037 /nfs/dbraw/zinc/15/50/37/335155037.db2.gz ZJQLQPQQBFQQTP-MRVPVSSYSA-N 1 2 307.341 2.505 20 30 DFEDLO C#C[C@@H](C)NC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000185982367 335155559 /nfs/dbraw/zinc/15/55/59/335155559.db2.gz NRTXYCLTHULEKB-CQSZACIVSA-N 1 2 324.428 2.967 20 30 DFEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC000265145209 333963556 /nfs/dbraw/zinc/96/35/56/333963556.db2.gz OVXKUGWDKJWJNU-JMPAWAFNSA-N 1 2 318.417 2.857 20 30 DFEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)c(C)c1 ZINC000266209776 333972336 /nfs/dbraw/zinc/97/23/36/333972336.db2.gz NQEQXKOKJKIVIT-AWEZNQCLSA-N 1 2 321.421 2.592 20 30 DFEDLO C=CCOc1ccc(/C=C\c2nc(C[NH2+]C)no2)cc1OC ZINC000414500905 333999150 /nfs/dbraw/zinc/99/91/50/333999150.db2.gz MLYBHIGVUNBQFF-VURMDHGXSA-N 1 2 301.346 2.533 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269652313 334002808 /nfs/dbraw/zinc/00/28/08/334002808.db2.gz UKRWDZYIAGWLDI-GDBMZVCRSA-N 1 2 311.389 2.616 20 30 DFEDLO N#CCOc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000270323683 334011255 /nfs/dbraw/zinc/01/12/55/334011255.db2.gz XORIAJMGAKOZCH-UHFFFAOYSA-N 1 2 309.373 2.813 20 30 DFEDLO N#CCOc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000270323683 334011256 /nfs/dbraw/zinc/01/12/56/334011256.db2.gz XORIAJMGAKOZCH-UHFFFAOYSA-N 1 2 309.373 2.813 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000272035723 334029785 /nfs/dbraw/zinc/02/97/85/334029785.db2.gz PZNSMLGBQAWBOA-UONOGXRCSA-N 1 2 308.447 2.812 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000272035723 334029787 /nfs/dbraw/zinc/02/97/87/334029787.db2.gz PZNSMLGBQAWBOA-UONOGXRCSA-N 1 2 308.447 2.812 20 30 DFEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C)(C#N)CC1 ZINC000272473022 334035056 /nfs/dbraw/zinc/03/50/56/334035056.db2.gz AUORWCRCDVXBSH-UHFFFAOYSA-N 1 2 310.401 2.751 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272993883 334041892 /nfs/dbraw/zinc/04/18/92/334041892.db2.gz GBYUHQNUUMCLOV-RYUDHWBXSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000272993883 334041893 /nfs/dbraw/zinc/04/18/93/334041893.db2.gz GBYUHQNUUMCLOV-RYUDHWBXSA-N 1 2 316.323 2.537 20 30 DFEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c([N+](=O)[O-])cc1F ZINC000274352270 334060233 /nfs/dbraw/zinc/06/02/33/334060233.db2.gz XGCNONRPXPBABD-UHFFFAOYSA-N 1 2 307.325 2.868 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000275704020 334072882 /nfs/dbraw/zinc/07/28/82/334072882.db2.gz QTZBDLGTLUVGDG-ZDUSSCGKSA-N 1 2 306.431 2.777 20 30 DFEDLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCCCC#N)[nH+]cn1 ZINC000275861225 334073439 /nfs/dbraw/zinc/07/34/39/334073439.db2.gz ZEVOSXXXUMDYGL-CZUORRHYSA-N 1 2 303.410 2.808 20 30 DFEDLO CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCCCC#N)nc[nH+]1 ZINC000275861225 334073440 /nfs/dbraw/zinc/07/34/40/334073440.db2.gz ZEVOSXXXUMDYGL-CZUORRHYSA-N 1 2 303.410 2.808 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276227476 334075340 /nfs/dbraw/zinc/07/53/40/334075340.db2.gz MVYYGVJDIRRKNL-SFHVURJKSA-N 1 2 310.376 2.603 20 30 DFEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000277506134 334088804 /nfs/dbraw/zinc/08/88/04/334088804.db2.gz DHUXSUJINMPGFW-JTQLQIEISA-N 1 2 319.327 2.950 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)c1cccc(F)c1 ZINC000278591908 334098600 /nfs/dbraw/zinc/09/86/00/334098600.db2.gz UBJHEJMQYHYWKR-OAHLLOKOSA-N 1 2 314.364 2.705 20 30 DFEDLO C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000278644732 334099141 /nfs/dbraw/zinc/09/91/41/334099141.db2.gz PHAQCWAVPQQLOB-ZBFHGGJFSA-N 1 2 321.371 2.766 20 30 DFEDLO C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000278644732 334099142 /nfs/dbraw/zinc/09/91/42/334099142.db2.gz PHAQCWAVPQQLOB-ZBFHGGJFSA-N 1 2 321.371 2.766 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000279520555 334109449 /nfs/dbraw/zinc/10/94/49/334109449.db2.gz VAOSTQBADWDLFJ-UHFFFAOYSA-N 1 2 312.373 2.606 20 30 DFEDLO N#CC1CCC(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000281894636 334129335 /nfs/dbraw/zinc/12/93/35/334129335.db2.gz QFJRJCQYWPVYLV-UHFFFAOYSA-N 1 2 315.421 2.513 20 30 DFEDLO NC(=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000283992821 334142083 /nfs/dbraw/zinc/14/20/83/334142083.db2.gz GZRVVFYRDDUXOA-GFCCVEGCSA-N 1 2 321.764 2.963 20 30 DFEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCCCF)cn2)n1 ZINC000284099143 334142476 /nfs/dbraw/zinc/14/24/76/334142476.db2.gz LEOJJOYIZKLEMR-UHFFFAOYSA-N 1 2 319.384 2.661 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(I)c1 ZINC000284295220 334142991 /nfs/dbraw/zinc/14/29/91/334142991.db2.gz IKVGUGAGCIJMOF-SNVBAGLBSA-N 1 2 314.170 2.883 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(I)c1 ZINC000284295220 334142993 /nfs/dbraw/zinc/14/29/93/334142993.db2.gz IKVGUGAGCIJMOF-SNVBAGLBSA-N 1 2 314.170 2.883 20 30 DFEDLO NC(=[NH+]OCc1cc(Cl)cc2cccnc21)[C@H]1CCCO1 ZINC000284440390 334143535 /nfs/dbraw/zinc/14/35/35/334143535.db2.gz PIDKHEPOEAZEOG-CYBMUJFWSA-N 1 2 305.765 2.856 20 30 DFEDLO NC(=[NH+]OCc1nc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000284482337 334143666 /nfs/dbraw/zinc/14/36/66/334143666.db2.gz RYWPVBLTGLVFJH-CYBMUJFWSA-N 1 2 303.387 2.778 20 30 DFEDLO NC(=[NH+]OCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCO1 ZINC000284577610 334143902 /nfs/dbraw/zinc/14/39/02/334143902.db2.gz XGRZFLKOAPUJFT-LBPRGKRZSA-N 1 2 318.295 2.596 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000285431923 334147929 /nfs/dbraw/zinc/14/79/29/334147929.db2.gz HQGVCULZBLXWAC-BBRMVZONSA-N 1 2 309.360 2.624 20 30 DFEDLO CC[C@@](C)(C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000285497604 334148324 /nfs/dbraw/zinc/14/83/24/334148324.db2.gz FBPIISVSGKHERB-KDOFPFPSSA-N 1 2 315.417 2.958 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000286134009 334151278 /nfs/dbraw/zinc/15/12/78/334151278.db2.gz QSRAECAWWWWZCS-XJKSGUPXSA-N 1 2 305.447 2.893 20 30 DFEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000286792391 334154435 /nfs/dbraw/zinc/15/44/35/334154435.db2.gz PWHIRDMBDAYAHT-QGZVFWFLSA-N 1 2 319.836 2.924 20 30 DFEDLO CC[C@](C)(C#N)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000288559252 334161029 /nfs/dbraw/zinc/16/10/29/334161029.db2.gz YLQUFPCHHKPERX-GOSISDBHSA-N 1 2 315.417 2.706 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)C3(C#N)CCC3)ccc2n1C1CC1 ZINC000289619951 334166795 /nfs/dbraw/zinc/16/67/95/334166795.db2.gz LNEAOJUQJGJVAW-UHFFFAOYSA-N 1 2 308.385 2.990 20 30 DFEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CCCC#N)CCCC2 ZINC000291589364 334180026 /nfs/dbraw/zinc/18/00/26/334180026.db2.gz ZPUBIPAEIZVFBM-OAHLLOKOSA-N 1 2 300.406 2.656 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280641 334186375 /nfs/dbraw/zinc/18/63/75/334186375.db2.gz BQOYRLLFHCAETK-UHOSZYNNSA-N 1 2 323.440 2.815 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280641 334186376 /nfs/dbraw/zinc/18/63/76/334186376.db2.gz BQOYRLLFHCAETK-UHOSZYNNSA-N 1 2 323.440 2.815 20 30 DFEDLO CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292400453 334187580 /nfs/dbraw/zinc/18/75/80/334187580.db2.gz LDRKRIVYGQODGR-JQHSSLGASA-N 1 2 313.445 2.920 20 30 DFEDLO CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292400453 334187582 /nfs/dbraw/zinc/18/75/82/334187582.db2.gz LDRKRIVYGQODGR-JQHSSLGASA-N 1 2 313.445 2.920 20 30 DFEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)nc1 ZINC000292525779 334188864 /nfs/dbraw/zinc/18/88/64/334188864.db2.gz WPHDESIPJZYSDU-AEFFLSMTSA-N 1 2 321.380 2.607 20 30 DFEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)nc1 ZINC000292525779 334188865 /nfs/dbraw/zinc/18/88/65/334188865.db2.gz WPHDESIPJZYSDU-AEFFLSMTSA-N 1 2 321.380 2.607 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000292640904 334190097 /nfs/dbraw/zinc/19/00/97/334190097.db2.gz OROQFENTLQIYJJ-OAHLLOKOSA-N 1 2 316.792 2.973 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000292725335 334191409 /nfs/dbraw/zinc/19/14/09/334191409.db2.gz FRJAPMVQIVLRKQ-UHFFFAOYSA-N 1 2 324.384 2.750 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000292725335 334191410 /nfs/dbraw/zinc/19/14/10/334191410.db2.gz FRJAPMVQIVLRKQ-UHFFFAOYSA-N 1 2 324.384 2.750 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000292826121 334192976 /nfs/dbraw/zinc/19/29/76/334192976.db2.gz QNUUMHRAOOERCQ-UHFFFAOYSA-N 1 2 310.357 2.707 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000292826121 334192978 /nfs/dbraw/zinc/19/29/78/334192978.db2.gz QNUUMHRAOOERCQ-UHFFFAOYSA-N 1 2 310.357 2.707 20 30 DFEDLO CC[C@@H](c1ccccc1)[N@H+](CCOCCC#N)CC(=O)OC ZINC000293857519 334202844 /nfs/dbraw/zinc/20/28/44/334202844.db2.gz RQDDJQGQLOPZLV-INIZCTEOSA-N 1 2 304.390 2.543 20 30 DFEDLO CC[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)CC(=O)OC ZINC000293857519 334202846 /nfs/dbraw/zinc/20/28/46/334202846.db2.gz RQDDJQGQLOPZLV-INIZCTEOSA-N 1 2 304.390 2.543 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000294239828 334207265 /nfs/dbraw/zinc/20/72/65/334207265.db2.gz PASGTSSEUXSDHY-CYBMUJFWSA-N 1 2 307.825 2.958 20 30 DFEDLO Cc1cnccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000294538124 334210633 /nfs/dbraw/zinc/21/06/33/334210633.db2.gz IBNDKPHPNIRANL-LJQANCHMSA-N 1 2 306.413 2.773 20 30 DFEDLO N#CCCOCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000294613906 334211365 /nfs/dbraw/zinc/21/13/65/334211365.db2.gz OHHHMWJOAOHQFK-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO N#CCCOCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000294613906 334211366 /nfs/dbraw/zinc/21/13/66/334211366.db2.gz OHHHMWJOAOHQFK-UHFFFAOYSA-N 1 2 309.207 2.737 20 30 DFEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000298442855 334248886 /nfs/dbraw/zinc/24/88/86/334248886.db2.gz MWKGECAYIVKNAA-MELADBBJSA-N 1 2 315.421 2.595 20 30 DFEDLO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000353630104 334292197 /nfs/dbraw/zinc/29/21/97/334292197.db2.gz XSHBPKSBWHPXDF-LLVKDONJSA-N 1 2 301.415 2.724 20 30 DFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000353630104 334292198 /nfs/dbraw/zinc/29/21/98/334292198.db2.gz XSHBPKSBWHPXDF-LLVKDONJSA-N 1 2 301.415 2.724 20 30 DFEDLO C=CC[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000121474594 334354322 /nfs/dbraw/zinc/35/43/22/334354322.db2.gz DQTRBZFUMREWMX-UHFFFAOYSA-N 1 2 301.415 2.942 20 30 DFEDLO C=CC[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000121474594 334354323 /nfs/dbraw/zinc/35/43/23/334354323.db2.gz DQTRBZFUMREWMX-UHFFFAOYSA-N 1 2 301.415 2.942 20 30 DFEDLO Cc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cs1 ZINC000341231972 334420554 /nfs/dbraw/zinc/42/05/54/334420554.db2.gz XTPOUXNPZAOYJG-VXGBXAGGSA-N 1 2 320.462 2.833 20 30 DFEDLO C#CC[C@H](NC(=O)NC[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000366800052 334602728 /nfs/dbraw/zinc/60/27/28/334602728.db2.gz KOQZSCSDMSYRIF-SJORKVTESA-N 1 2 322.412 2.824 20 30 DFEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCC2(C#N)CCC2)c1 ZINC000416815761 334681886 /nfs/dbraw/zinc/68/18/86/334681886.db2.gz NVTGWUFLEDEYAA-UHFFFAOYSA-N 1 2 309.373 2.902 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1ccccn1)CCC2 ZINC000328655195 334745936 /nfs/dbraw/zinc/74/59/36/334745936.db2.gz MPHMGNXXGHUUIH-AWEZNQCLSA-N 1 2 313.405 2.510 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NCC1(C2CC2)CCC1 ZINC000328659759 334746476 /nfs/dbraw/zinc/74/64/76/334746476.db2.gz UCXJFTXSAJODRE-UHFFFAOYSA-N 1 2 302.422 2.803 20 30 DFEDLO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC000328833050 334758732 /nfs/dbraw/zinc/75/87/32/334758732.db2.gz LOCMXQSBYMVIMR-ZDUSSCGKSA-N 1 2 316.409 2.559 20 30 DFEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NC1CCC(F)(F)CC1 ZINC000328845229 334759724 /nfs/dbraw/zinc/75/97/24/334759724.db2.gz ACNQGEJFVQTWFB-LLVKDONJSA-N 1 2 312.364 2.842 20 30 DFEDLO C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000328968790 334770725 /nfs/dbraw/zinc/77/07/25/334770725.db2.gz ANCGPADBCVOOCV-AEGPPILISA-N 1 2 321.421 2.659 20 30 DFEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC=CCC1 ZINC000330833842 334814763 /nfs/dbraw/zinc/81/47/63/334814763.db2.gz KQSKNHNXJKMUJC-JTQLQIEISA-N 1 2 302.300 2.558 20 30 DFEDLO CC1(C#N)CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000330784344 334815148 /nfs/dbraw/zinc/81/51/48/334815148.db2.gz RSDOZHBITRXAGY-UHFFFAOYSA-N 1 2 324.421 2.615 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330868885 334816901 /nfs/dbraw/zinc/81/69/01/334816901.db2.gz YTYSODWVQLCBDU-JVLSTEMRSA-N 1 2 316.792 2.821 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000157949432 338470042 /nfs/dbraw/zinc/47/00/42/338470042.db2.gz GNJZKJWSILKDJD-ZDUSSCGKSA-N 1 2 301.415 2.722 20 30 DFEDLO N#CCCCn1cc(C(=O)NCc2[nH]cc[nH+]2)c2ccccc21 ZINC000444267117 338470749 /nfs/dbraw/zinc/47/07/49/338470749.db2.gz UAGICACJDYIFMF-UHFFFAOYSA-N 1 2 307.357 2.598 20 30 DFEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000425477019 334922483 /nfs/dbraw/zinc/92/24/83/334922483.db2.gz AOYJUSWXHMYSLH-NSHDSACASA-N 1 2 315.398 2.847 20 30 DFEDLO C=CCOCCCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366909030 335338259 /nfs/dbraw/zinc/33/82/59/335338259.db2.gz FRKDIZYJHYDCHN-INIZCTEOSA-N 1 2 322.836 2.796 20 30 DFEDLO CC(C)(C#N)CC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000345707660 335349163 /nfs/dbraw/zinc/34/91/63/335349163.db2.gz HCHAJVDVMPATNG-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO CC(C)(C#N)CC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000345707660 335349164 /nfs/dbraw/zinc/34/91/64/335349164.db2.gz HCHAJVDVMPATNG-UHFFFAOYSA-N 1 2 319.836 2.924 20 30 DFEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000345887984 335358763 /nfs/dbraw/zinc/35/87/63/335358763.db2.gz VMRMGVUBCJGDSE-OAHLLOKOSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000346262530 335396082 /nfs/dbraw/zinc/39/60/82/335396082.db2.gz ORZCNYHYNAGWKF-OLZOCXBDSA-N 1 2 305.809 2.705 20 30 DFEDLO COc1cc2c(c(C[NH+]3CCC(F)(C#N)CC3)c1)O[C@@H](C)C2 ZINC000348710558 335604032 /nfs/dbraw/zinc/60/40/32/335604032.db2.gz DDCGVDZZRQPDSD-LBPRGKRZSA-N 1 2 304.365 2.846 20 30 DFEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccon1 ZINC000349232322 335655285 /nfs/dbraw/zinc/65/52/85/335655285.db2.gz BMQXLHHIDPCARG-DLOXAQCQSA-N 1 2 318.421 2.645 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCCc1cccs1 ZINC000563890911 335731900 /nfs/dbraw/zinc/73/19/00/335731900.db2.gz UPDOBCWLLBTZRF-MRXNPFEDSA-N 1 2 307.463 2.811 20 30 DFEDLO Cc1cnc([C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000329428045 335975043 /nfs/dbraw/zinc/97/50/43/335975043.db2.gz JOOGSTRXHYEGNV-PWSUYJOCSA-N 1 2 304.419 2.971 20 30 DFEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCc2ccccc21 ZINC000329475248 335981232 /nfs/dbraw/zinc/98/12/32/335981232.db2.gz OYOJTEWXSRUENI-OAHLLOKOSA-N 1 2 324.428 2.953 20 30 DFEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1CCC1 ZINC000329665683 336034063 /nfs/dbraw/zinc/03/40/63/336034063.db2.gz PZJIXRNUBXQOAD-LBPRGKRZSA-N 1 2 304.438 2.894 20 30 DFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351527802 336040509 /nfs/dbraw/zinc/04/05/09/336040509.db2.gz BOQUUGHQFBWFET-GJZGRUSLSA-N 1 2 323.412 2.676 20 30 DFEDLO C=CCCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351527802 336040510 /nfs/dbraw/zinc/04/05/10/336040510.db2.gz BOQUUGHQFBWFET-GJZGRUSLSA-N 1 2 323.412 2.676 20 30 DFEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329711825 336066459 /nfs/dbraw/zinc/06/64/59/336066459.db2.gz PCFSJFNAYQKRJN-ZDUSSCGKSA-N 1 2 318.421 2.541 20 30 DFEDLO O=C(NC[C@@H]1CCCCS1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329760767 336079029 /nfs/dbraw/zinc/07/90/29/336079029.db2.gz QPHXOIKZTRCFRL-KGLIPLIRSA-N 1 2 308.451 2.547 20 30 DFEDLO [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329760767 336079031 /nfs/dbraw/zinc/07/90/31/336079031.db2.gz QPHXOIKZTRCFRL-KGLIPLIRSA-N 1 2 308.451 2.547 20 30 DFEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1(C)C ZINC000329819501 336085671 /nfs/dbraw/zinc/08/56/71/336085671.db2.gz XTODGFWIBBTHIZ-KGLIPLIRSA-N 1 2 324.465 2.695 20 30 DFEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1(C)C ZINC000329819501 336085672 /nfs/dbraw/zinc/08/56/72/336085672.db2.gz XTODGFWIBBTHIZ-KGLIPLIRSA-N 1 2 324.465 2.695 20 30 DFEDLO O=C(C[C@H]1CCOC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000329861285 336089916 /nfs/dbraw/zinc/08/99/16/336089916.db2.gz XTUSZDXOFVUMBU-CQSZACIVSA-N 1 2 304.390 2.533 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329901450 336093605 /nfs/dbraw/zinc/09/36/05/336093605.db2.gz GYCRYFODKFTGSA-IWVPMKNESA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329901450 336093607 /nfs/dbraw/zinc/09/36/07/336093607.db2.gz GYCRYFODKFTGSA-IWVPMKNESA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329926539 336096082 /nfs/dbraw/zinc/09/60/82/336096082.db2.gz WHDVVQZIUBAQRY-HDMKZQKVSA-N 1 2 318.417 2.584 20 30 DFEDLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000329926539 336096084 /nfs/dbraw/zinc/09/60/84/336096084.db2.gz WHDVVQZIUBAQRY-HDMKZQKVSA-N 1 2 318.417 2.584 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCc2ccccc2C1 ZINC000329987340 336102966 /nfs/dbraw/zinc/10/29/66/336102966.db2.gz GAYYHWBTTDVZBC-MRXNPFEDSA-N 1 2 310.401 2.560 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330090540 336112614 /nfs/dbraw/zinc/11/26/14/336112614.db2.gz WXDMCULBCSOXFX-JMIFQINSSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330090540 336112615 /nfs/dbraw/zinc/11/26/15/336112615.db2.gz WXDMCULBCSOXFX-JMIFQINSSA-N 1 2 324.465 2.790 20 30 DFEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330184928 336121855 /nfs/dbraw/zinc/12/18/55/336121855.db2.gz IUVNTBKDFJOXLP-MCIONIFRSA-N 1 2 304.438 2.916 20 30 DFEDLO C[C@@H]1CC(C)(C)CC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330184928 336121856 /nfs/dbraw/zinc/12/18/56/336121856.db2.gz IUVNTBKDFJOXLP-MCIONIFRSA-N 1 2 304.438 2.916 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCc2ccccc21 ZINC000330187150 336122088 /nfs/dbraw/zinc/12/20/88/336122088.db2.gz KECQDAGDRSNWHG-ZBFHGGJFSA-N 1 2 310.401 2.779 20 30 DFEDLO [O-]C(N[C@H]1CCCc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330187150 336122089 /nfs/dbraw/zinc/12/20/89/336122089.db2.gz KECQDAGDRSNWHG-ZBFHGGJFSA-N 1 2 310.401 2.779 20 30 DFEDLO Cc1ccc(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)[nH+]1 ZINC000330231048 336127571 /nfs/dbraw/zinc/12/75/71/336127571.db2.gz QXVAVTZUOMJQCD-CQSZACIVSA-N 1 2 319.405 2.753 20 30 DFEDLO O=C(NC[C@@H]1CCC(F)(F)C1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330279454 336133038 /nfs/dbraw/zinc/13/30/38/336133038.db2.gz RBIUCQLRYCOZGI-NEPJUHHUSA-N 1 2 312.364 2.700 20 30 DFEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCc2ccccc21 ZINC000330281029 336133366 /nfs/dbraw/zinc/13/33/66/336133366.db2.gz UAZYYSMAOHMPHS-GDBMZVCRSA-N 1 2 310.401 2.731 20 30 DFEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000331507371 336138507 /nfs/dbraw/zinc/13/85/07/336138507.db2.gz FAFCWHXMNPXBJM-WDEREUQCSA-N 1 2 300.387 2.517 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000331659968 336143676 /nfs/dbraw/zinc/14/36/76/336143676.db2.gz SENCILIZPLXKLF-KKUMJFAQSA-N 1 2 315.421 2.832 20 30 DFEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCC12CCCCC2 ZINC000330302949 336145999 /nfs/dbraw/zinc/14/59/99/336145999.db2.gz OTWKHSKPDUUEHV-AWEZNQCLSA-N 1 2 302.422 2.911 20 30 DFEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCC12CCCCC2 ZINC000330302949 336146001 /nfs/dbraw/zinc/14/60/01/336146001.db2.gz OTWKHSKPDUUEHV-AWEZNQCLSA-N 1 2 302.422 2.911 20 30 DFEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N1CCSc2ccccc21 ZINC000331823158 336149891 /nfs/dbraw/zinc/14/98/91/336149891.db2.gz YOKJIQPZGRYOHS-MELADBBJSA-N 1 2 315.442 2.796 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000332130102 336159729 /nfs/dbraw/zinc/15/97/29/336159729.db2.gz ODGXIMXDKVFAFT-LPHOPBHVSA-N 1 2 321.428 2.729 20 30 DFEDLO Cn1c(C[NH2+][C@H]2CCC[C@H]2C#N)nnc1-c1ccc(Cl)cc1 ZINC000332224916 336163905 /nfs/dbraw/zinc/16/39/05/336163905.db2.gz ZKWKNRZWNDOSJV-JSGCOSHPSA-N 1 2 315.808 2.917 20 30 DFEDLO N#CCCC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000352180393 336199544 /nfs/dbraw/zinc/19/95/44/336199544.db2.gz MNJUPJGPEBUYFD-FUHWJXTLSA-N 1 2 322.412 2.997 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000333575005 336206242 /nfs/dbraw/zinc/20/62/42/336206242.db2.gz JGBNTBGRCIWJHT-UBHSHLNASA-N 1 2 303.793 2.727 20 30 DFEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352456741 336220177 /nfs/dbraw/zinc/22/01/77/336220177.db2.gz AKTMHADNELPHKK-QGZVFWFLSA-N 1 2 317.408 2.828 20 30 DFEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352479826 336221234 /nfs/dbraw/zinc/22/12/34/336221234.db2.gz BWLKDTJUFMJMPA-LBPRGKRZSA-N 1 2 323.799 2.672 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352481150 336221356 /nfs/dbraw/zinc/22/13/56/336221356.db2.gz DFAHWHSBCHOQDJ-LLVKDONJSA-N 1 2 309.772 2.995 20 30 DFEDLO N#CC1(F)CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000352484921 336221434 /nfs/dbraw/zinc/22/14/34/336221434.db2.gz VHFDTWHZVVVXCW-INIZCTEOSA-N 1 2 315.392 2.508 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352485516 336221469 /nfs/dbraw/zinc/22/14/69/336221469.db2.gz YYVNYQPBTYRWGM-UONOGXRCSA-N 1 2 303.381 2.580 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](CC(C)C)C(=O)OC ZINC000352798901 336238219 /nfs/dbraw/zinc/23/82/19/336238219.db2.gz DWYTYLYWHFUVGJ-INIZCTEOSA-N 1 2 309.406 2.738 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](CC(C)C)C(=O)OC ZINC000352798901 336238220 /nfs/dbraw/zinc/23/82/20/336238220.db2.gz DWYTYLYWHFUVGJ-INIZCTEOSA-N 1 2 309.406 2.738 20 30 DFEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)co1 ZINC000352814340 336247886 /nfs/dbraw/zinc/24/78/86/336247886.db2.gz HNPJKCFYOINVDV-UHFFFAOYSA-N 1 2 319.357 2.730 20 30 DFEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)co1 ZINC000352814340 336247887 /nfs/dbraw/zinc/24/78/87/336247887.db2.gz HNPJKCFYOINVDV-UHFFFAOYSA-N 1 2 319.357 2.730 20 30 DFEDLO C=CCN(CCO)c1cc[nH+]c2c(Br)cccc12 ZINC000301782663 336329552 /nfs/dbraw/zinc/32/95/52/336329552.db2.gz TYLGOUHZQIRVBM-UHFFFAOYSA-N 1 2 307.191 2.982 20 30 DFEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301889078 336336422 /nfs/dbraw/zinc/33/64/22/336336422.db2.gz QHMXETFTJOHESR-UHFFFAOYSA-N 1 2 317.389 2.527 20 30 DFEDLO C=C(C)CN(CC[N@@H+]1CCOC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC000352921552 336377152 /nfs/dbraw/zinc/37/71/52/336377152.db2.gz JLUDRPJVCZFTHH-QGZVFWFLSA-N 1 2 320.481 2.563 20 30 DFEDLO C=C(C)CN(CC[N@H+]1CCOC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC000352921552 336377153 /nfs/dbraw/zinc/37/71/53/336377153.db2.gz JLUDRPJVCZFTHH-QGZVFWFLSA-N 1 2 320.481 2.563 20 30 DFEDLO C#CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367156712 336429880 /nfs/dbraw/zinc/42/98/80/336429880.db2.gz BIEULVPZJYRJER-HNNXBMFYSA-N 1 2 314.433 2.522 20 30 DFEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)C1CC1 ZINC000354520901 336473565 /nfs/dbraw/zinc/47/35/65/336473565.db2.gz LPUDXVZDBMWZFK-OAHLLOKOSA-N 1 2 310.401 2.797 20 30 DFEDLO CC1(C#N)CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000355764529 336521394 /nfs/dbraw/zinc/52/13/94/336521394.db2.gz ICXFSRCEGLHSHR-UHFFFAOYSA-N 1 2 323.400 2.708 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000361110872 336739033 /nfs/dbraw/zinc/73/90/33/336739033.db2.gz RHVZNQILJSSDRX-YPMHNXCESA-N 1 2 305.365 2.534 20 30 DFEDLO C=CCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367898132 336831845 /nfs/dbraw/zinc/83/18/45/336831845.db2.gz XCGJPTYVPZQPMN-IAGOWNOFSA-N 1 2 323.481 2.628 20 30 DFEDLO CC(C)c1nc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)no1 ZINC000369277416 336861521 /nfs/dbraw/zinc/86/15/21/336861521.db2.gz FFYPSWVEAOSMJZ-CYBMUJFWSA-N 1 2 301.394 2.816 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000369427388 336864495 /nfs/dbraw/zinc/86/44/95/336864495.db2.gz PAYFMHGWSFHTNM-UHFFFAOYSA-N 1 2 323.444 2.866 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369567803 336867464 /nfs/dbraw/zinc/86/74/64/336867464.db2.gz GRHLOMBBVHHRHV-LSDHHAIUSA-N 1 2 320.437 2.533 20 30 DFEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000369855973 336873164 /nfs/dbraw/zinc/87/31/64/336873164.db2.gz LGDIBJCTUYBFKK-CQSZACIVSA-N 1 2 322.412 2.677 20 30 DFEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370598332 336888278 /nfs/dbraw/zinc/88/82/78/336888278.db2.gz RIOPKQANLWYWBY-HNNXBMFYSA-N 1 2 311.360 2.631 20 30 DFEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CCC1 ZINC000418142896 336896596 /nfs/dbraw/zinc/89/65/96/336896596.db2.gz NXWHSPJPVKNDCJ-UHFFFAOYSA-N 1 2 319.836 2.960 20 30 DFEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374877585 336998782 /nfs/dbraw/zinc/99/87/82/336998782.db2.gz OLTJVEQECMRDSJ-XJKSGUPXSA-N 1 2 322.836 2.794 20 30 DFEDLO CCCCCCCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000375581464 337013837 /nfs/dbraw/zinc/01/38/37/337013837.db2.gz BMCQSKXZOVBLPV-AWEZNQCLSA-N 1 2 313.467 2.510 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000376172464 337028983 /nfs/dbraw/zinc/02/89/83/337028983.db2.gz MWEUEDRXNVMNMQ-HOTGVXAUSA-N 1 2 307.397 2.580 20 30 DFEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000376172464 337028984 /nfs/dbraw/zinc/02/89/84/337028984.db2.gz MWEUEDRXNVMNMQ-HOTGVXAUSA-N 1 2 307.397 2.580 20 30 DFEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC(C)(C)CCC#N ZINC000377035349 337045799 /nfs/dbraw/zinc/04/57/99/337045799.db2.gz ZVEPWFGYEOPHHA-UHFFFAOYSA-N 1 2 317.437 2.691 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377725124 337059766 /nfs/dbraw/zinc/05/97/66/337059766.db2.gz PPIYUNVPMIOLIU-ZDUSSCGKSA-N 1 2 312.373 2.654 20 30 DFEDLO C=CCOc1cccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377725124 337059767 /nfs/dbraw/zinc/05/97/67/337059767.db2.gz PPIYUNVPMIOLIU-ZDUSSCGKSA-N 1 2 312.373 2.654 20 30 DFEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000378406941 337072051 /nfs/dbraw/zinc/07/20/51/337072051.db2.gz GUTNGGIWVKMSOW-WHWKNOJMSA-N 1 2 322.368 2.689 20 30 DFEDLO C#CC[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378511969 337074839 /nfs/dbraw/zinc/07/48/39/337074839.db2.gz ABXXBSXDIQZPCE-HOCLYGCPSA-N 1 2 307.397 2.641 20 30 DFEDLO N#CC1(c2ccc(C(=O)NC[C@H]3CCCn4cc[nH+]c43)cc2)CC1 ZINC000378519652 337074913 /nfs/dbraw/zinc/07/49/13/337074913.db2.gz QIRUDCBHCKTNGS-OAHLLOKOSA-N 1 2 320.396 2.746 20 30 DFEDLO CCSCc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000514669073 337149613 /nfs/dbraw/zinc/14/96/13/337149613.db2.gz XGMKMGXMZCFQHM-INIZCTEOSA-N 1 2 307.463 2.558 20 30 DFEDLO CCSCc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514669073 337149614 /nfs/dbraw/zinc/14/96/14/337149614.db2.gz XGMKMGXMZCFQHM-INIZCTEOSA-N 1 2 307.463 2.558 20 30 DFEDLO C=C(C)CN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000180624998 337176742 /nfs/dbraw/zinc/17/67/42/337176742.db2.gz LAKKXZNLFAWHHD-UHFFFAOYSA-N 1 2 312.417 2.691 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191134870 337294416 /nfs/dbraw/zinc/29/44/16/337294416.db2.gz LUIQQSVWWDPUFC-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191134870 337294417 /nfs/dbraw/zinc/29/44/17/337294417.db2.gz LUIQQSVWWDPUFC-LLVKDONJSA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CCOC)Cc1cc(O)ccc1Br ZINC000191760393 337299982 /nfs/dbraw/zinc/29/99/82/337299982.db2.gz FLAJIRVHRSBFGF-UHFFFAOYSA-N 1 2 300.196 2.789 20 30 DFEDLO C=CC[N@H+](CCOC)Cc1cc(O)ccc1Br ZINC000191760393 337299983 /nfs/dbraw/zinc/29/99/83/337299983.db2.gz FLAJIRVHRSBFGF-UHFFFAOYSA-N 1 2 300.196 2.789 20 30 DFEDLO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000192023053 337302027 /nfs/dbraw/zinc/30/20/27/337302027.db2.gz SHZHZUASMYSLMQ-LJQANCHMSA-N 1 2 322.383 2.915 20 30 DFEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000192023053 337302028 /nfs/dbraw/zinc/30/20/28/337302028.db2.gz SHZHZUASMYSLMQ-LJQANCHMSA-N 1 2 322.383 2.915 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 ZINC000192733228 337306992 /nfs/dbraw/zinc/30/69/92/337306992.db2.gz QCEANMPAUICBIK-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 ZINC000192733228 337306993 /nfs/dbraw/zinc/30/69/93/337306993.db2.gz QCEANMPAUICBIK-UHFFFAOYSA-N 1 2 322.412 2.598 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000583325359 337316306 /nfs/dbraw/zinc/31/63/06/337316306.db2.gz JIYIXBMXJZFYKZ-KRWDZBQOSA-N 1 2 315.348 2.659 20 30 DFEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114803821 337391878 /nfs/dbraw/zinc/39/18/78/337391878.db2.gz CAYXNIJBVLCWOR-UHFFFAOYSA-N 1 2 314.763 2.865 20 30 DFEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114803821 337391879 /nfs/dbraw/zinc/39/18/79/337391879.db2.gz CAYXNIJBVLCWOR-UHFFFAOYSA-N 1 2 314.763 2.865 20 30 DFEDLO C=C(CC)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000419271456 337477277 /nfs/dbraw/zinc/47/72/77/337477277.db2.gz SUUNVMZDSHCRHS-GFCCVEGCSA-N 1 2 315.186 2.670 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccccc2OCC(C)C)nn1 ZINC000424169562 337792434 /nfs/dbraw/zinc/79/24/34/337792434.db2.gz IIWWTBMGXRAPHA-UHFFFAOYSA-N 1 2 300.406 2.789 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H]2CCSc3ccc(OC)cc32)nn1 ZINC000424296478 337816997 /nfs/dbraw/zinc/81/69/97/337816997.db2.gz ORPGRGIJCBBPDX-HNNXBMFYSA-N 1 2 316.430 2.799 20 30 DFEDLO C=CCC1(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CCOCC1 ZINC000424594680 337885945 /nfs/dbraw/zinc/88/59/45/337885945.db2.gz GEATWRNAYBNBHH-UHFFFAOYSA-N 1 2 313.401 2.632 20 30 DFEDLO CCCCN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429031364 338069247 /nfs/dbraw/zinc/06/92/47/338069247.db2.gz VBNSUGIBCFLNDL-MSOLQXFVSA-N 1 2 313.445 2.874 20 30 DFEDLO CCCCN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429031364 338069248 /nfs/dbraw/zinc/06/92/48/338069248.db2.gz VBNSUGIBCFLNDL-MSOLQXFVSA-N 1 2 313.445 2.874 20 30 DFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000430092928 338095989 /nfs/dbraw/zinc/09/59/89/338095989.db2.gz DBHBRDYAZVLAPJ-UHFFFAOYSA-N 1 2 312.373 2.859 20 30 DFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000430092928 338095990 /nfs/dbraw/zinc/09/59/90/338095990.db2.gz DBHBRDYAZVLAPJ-UHFFFAOYSA-N 1 2 312.373 2.859 20 30 DFEDLO C=CCOc1ccc(CNc2cccc(CO)[nH+]2)cc1OC ZINC000432741116 338165420 /nfs/dbraw/zinc/16/54/20/338165420.db2.gz JIHILIIRYAOUAT-UHFFFAOYSA-N 1 2 300.358 2.759 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000433297608 338190067 /nfs/dbraw/zinc/19/00/67/338190067.db2.gz LUQOEMWNRZCSEP-GFCCVEGCSA-N 1 2 307.825 2.826 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000433297608 338190068 /nfs/dbraw/zinc/19/00/68/338190068.db2.gz LUQOEMWNRZCSEP-GFCCVEGCSA-N 1 2 307.825 2.826 20 30 DFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433307787 338190989 /nfs/dbraw/zinc/19/09/89/338190989.db2.gz VXDICYXKOYSZIK-OAHLLOKOSA-N 1 2 301.434 2.524 20 30 DFEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433307787 338190990 /nfs/dbraw/zinc/19/09/90/338190990.db2.gz VXDICYXKOYSZIK-OAHLLOKOSA-N 1 2 301.434 2.524 20 30 DFEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1Cl ZINC000433318879 338191991 /nfs/dbraw/zinc/19/19/91/338191991.db2.gz MXSDERBVPILLKG-GFCCVEGCSA-N 1 2 307.825 2.999 20 30 DFEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1Cl ZINC000433318879 338191992 /nfs/dbraw/zinc/19/19/92/338191992.db2.gz MXSDERBVPILLKG-GFCCVEGCSA-N 1 2 307.825 2.999 20 30 DFEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)nc1 ZINC000155277428 338260918 /nfs/dbraw/zinc/26/09/18/338260918.db2.gz PRFRZWOBASJXGQ-IBGZPJMESA-N 1 2 306.413 2.773 20 30 DFEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000448587696 338308221 /nfs/dbraw/zinc/30/82/21/338308221.db2.gz NSPXAMNOLAOQQD-SUMWQHHRSA-N 1 2 317.820 2.534 20 30 DFEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000448587694 338308293 /nfs/dbraw/zinc/30/82/93/338308293.db2.gz NSPXAMNOLAOQQD-DYVFJYSZSA-N 1 2 317.820 2.534 20 30 DFEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000438201353 338336334 /nfs/dbraw/zinc/33/63/34/338336334.db2.gz PLCKTJRAMUUYQE-OAHLLOKOSA-N 1 2 311.385 2.755 20 30 DFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000449242739 338605883 /nfs/dbraw/zinc/60/58/83/338605883.db2.gz YXJTTXGJWSSJDC-CJNGLKHVSA-N 1 2 319.836 2.958 20 30 DFEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000450645736 338695715 /nfs/dbraw/zinc/69/57/15/338695715.db2.gz LTHCYJVRVUEQLK-ZENOOKHLSA-N 1 2 303.431 2.503 20 30 DFEDLO C=C(C)CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454298690 338860234 /nfs/dbraw/zinc/86/02/34/338860234.db2.gz GSUBYECNYZSNNF-UHFFFAOYSA-N 1 2 312.417 2.739 20 30 DFEDLO C=C(CC)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456828759 338942682 /nfs/dbraw/zinc/94/26/82/338942682.db2.gz NGHKKANSXJYUJR-INIZCTEOSA-N 1 2 304.459 2.859 20 30 DFEDLO C=CC[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459320646 339021512 /nfs/dbraw/zinc/02/15/12/339021512.db2.gz FPVWPQWGEIZAKX-QGZVFWFLSA-N 1 2 305.443 2.739 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459320646 339021513 /nfs/dbraw/zinc/02/15/13/339021513.db2.gz FPVWPQWGEIZAKX-QGZVFWFLSA-N 1 2 305.443 2.739 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459666788 339041599 /nfs/dbraw/zinc/04/15/99/339041599.db2.gz ACSNLHRHNFDZHZ-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459666788 339041600 /nfs/dbraw/zinc/04/16/00/339041600.db2.gz ACSNLHRHNFDZHZ-CYBMUJFWSA-N 1 2 319.836 2.706 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000459675895 339042479 /nfs/dbraw/zinc/04/24/79/339042479.db2.gz KRKBCDLREQNQTH-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000459675895 339042480 /nfs/dbraw/zinc/04/24/80/339042480.db2.gz KRKBCDLREQNQTH-QGZVFWFLSA-N 1 2 317.820 2.507 20 30 DFEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000491495325 339864202 /nfs/dbraw/zinc/86/42/02/339864202.db2.gz IMBCYMXTCKRAJQ-CVEARBPZSA-N 1 2 324.428 2.931 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000491776347 339880763 /nfs/dbraw/zinc/88/07/63/339880763.db2.gz FLNUZEYROMUTCF-UHFFFAOYSA-N 1 2 303.365 2.539 20 30 DFEDLO C=CCOc1ccccc1CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492539823 339903463 /nfs/dbraw/zinc/90/34/63/339903463.db2.gz VDMJBDDFAHIDIZ-MDZDMXLPSA-N 1 2 311.385 2.797 20 30 DFEDLO CC(C)(CC#N)CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493063030 339916284 /nfs/dbraw/zinc/91/62/84/339916284.db2.gz LFTOKKFUFBAIAN-VMPITWQZSA-N 1 2 308.385 2.942 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000493233615 339920527 /nfs/dbraw/zinc/92/05/27/339920527.db2.gz CFTJIHXCDOWRHL-MRZGDXHCSA-N 1 2 324.384 2.696 20 30 DFEDLO C=CCN(C(=O)/C=C/c1[nH]cc[nH+]1)c1nc2c(s1)CCCC2 ZINC000493270123 339921564 /nfs/dbraw/zinc/92/15/64/339921564.db2.gz XDANICOIJJVXPJ-BQYQJAHWSA-N 1 2 314.414 2.977 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494415232 339948558 /nfs/dbraw/zinc/94/85/58/339948558.db2.gz HKCIZWZILMBHIW-BBIZLLLXSA-N 1 2 318.424 2.977 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494415239 339948560 /nfs/dbraw/zinc/94/85/60/339948560.db2.gz HKCIZWZILMBHIW-FBQMEGEOSA-N 1 2 318.424 2.977 20 30 DFEDLO C=C(C)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000126627248 340829423 /nfs/dbraw/zinc/82/94/23/340829423.db2.gz MYPIXJSWMYAEIP-UHFFFAOYSA-N 1 2 311.341 2.505 20 30 DFEDLO CC(=O)N(c1nc(C[NH+]2CCC(CC#N)CC2)cs1)C1CC1 ZINC000540995013 340955012 /nfs/dbraw/zinc/95/50/12/340955012.db2.gz FTVREDOEAAMORL-UHFFFAOYSA-N 1 2 318.446 2.784 20 30 DFEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000543543111 341048683 /nfs/dbraw/zinc/04/86/83/341048683.db2.gz FIFUUKBFCSJSLH-KRWDZBQOSA-N 1 2 300.402 2.964 20 30 DFEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CC#N)CC1 ZINC000543807089 341059920 /nfs/dbraw/zinc/05/99/20/341059920.db2.gz LVXLYLZTIYNNEP-LLVKDONJSA-N 1 2 307.344 2.917 20 30 DFEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC000545139437 341110204 /nfs/dbraw/zinc/11/02/04/341110204.db2.gz XIAJDGKQBCSBAY-UHFFFAOYSA-N 1 2 305.341 2.616 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547443198 341214060 /nfs/dbraw/zinc/21/40/60/341214060.db2.gz XUGPTTRMTPGBBQ-QGZVFWFLSA-N 1 2 305.418 2.877 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547443198 341214061 /nfs/dbraw/zinc/21/40/61/341214061.db2.gz XUGPTTRMTPGBBQ-QGZVFWFLSA-N 1 2 305.418 2.877 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](CC)C[C@H](C)C#N ZINC000245737471 341312493 /nfs/dbraw/zinc/31/24/93/341312493.db2.gz DJANLGISSGQLJN-CZUORRHYSA-N 1 2 303.406 2.894 20 30 DFEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](CC)C[C@H](C)C#N ZINC000245737471 341312494 /nfs/dbraw/zinc/31/24/94/341312494.db2.gz DJANLGISSGQLJN-CZUORRHYSA-N 1 2 303.406 2.894 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000550797095 341323237 /nfs/dbraw/zinc/32/32/37/341323237.db2.gz KYDJNPPMKQFOOE-XBFCOCLRSA-N 1 2 304.419 2.526 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000246098587 341326208 /nfs/dbraw/zinc/32/62/08/341326208.db2.gz OZNICVLZTGZSJH-YVEFUNNKSA-N 1 2 301.390 2.613 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000246098587 341326209 /nfs/dbraw/zinc/32/62/09/341326209.db2.gz OZNICVLZTGZSJH-YVEFUNNKSA-N 1 2 301.390 2.613 20 30 DFEDLO Cc1nc(C2CCCC2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565051317 341515859 /nfs/dbraw/zinc/51/58/59/341515859.db2.gz KQYAUCSGXXNTMM-MRXNPFEDSA-N 1 2 320.462 2.683 20 30 DFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000566428483 341557764 /nfs/dbraw/zinc/55/77/64/341557764.db2.gz GHFXKVRJDSUGTA-PWSUYJOCSA-N 1 2 309.797 2.957 20 30 DFEDLO C=CCCCCS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000567709484 341629045 /nfs/dbraw/zinc/62/90/45/341629045.db2.gz QJBVRTXDDWCGOQ-UHFFFAOYSA-N 1 2 310.341 2.717 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000574170557 341750826 /nfs/dbraw/zinc/75/08/26/341750826.db2.gz QUTNKEFLFPWMNH-ZDUSSCGKSA-N 1 2 314.414 2.691 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc(C#N)nn4)C3)[nH+]c2c1 ZINC000302050625 534359459 /nfs/dbraw/zinc/35/94/59/534359459.db2.gz NRDFMMSSPLODPP-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO CCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000364194024 519865328 /nfs/dbraw/zinc/86/53/28/519865328.db2.gz QLWSSQKOMMJBEI-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000364194024 519865329 /nfs/dbraw/zinc/86/53/29/519865329.db2.gz QLWSSQKOMMJBEI-UHFFFAOYSA-N 1 2 303.381 2.532 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000312710987 534782235 /nfs/dbraw/zinc/78/22/35/534782235.db2.gz DDPVACYTYULXFJ-LBPRGKRZSA-N 1 2 304.699 2.711 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000312710987 534782239 /nfs/dbraw/zinc/78/22/39/534782239.db2.gz DDPVACYTYULXFJ-LBPRGKRZSA-N 1 2 304.699 2.711 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000681595065 545677732 /nfs/dbraw/zinc/67/77/32/545677732.db2.gz LDHMPZBBZGTSPO-ZDUSSCGKSA-N 1 2 313.426 2.906 20 30 DFEDLO C=CC[C@@H](C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000681896572 545746420 /nfs/dbraw/zinc/74/64/20/545746420.db2.gz ZCFWHIBREFYKPV-SJORKVTESA-N 1 2 324.428 2.585 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682360714 545829139 /nfs/dbraw/zinc/82/91/39/545829139.db2.gz OXTUNYFCZNPBMZ-YOEHRIQHSA-N 1 2 305.422 2.618 20 30 DFEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682360714 545829143 /nfs/dbraw/zinc/82/91/43/545829143.db2.gz OXTUNYFCZNPBMZ-YOEHRIQHSA-N 1 2 305.422 2.618 20 30 DFEDLO C=CC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1F ZINC000823919384 607488214 /nfs/dbraw/zinc/48/82/14/607488214.db2.gz DTTKMSXHZUODIA-UHFFFAOYSA-N 1 2 324.363 2.589 20 30 DFEDLO C=CC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1F ZINC000823919384 607488215 /nfs/dbraw/zinc/48/82/15/607488215.db2.gz DTTKMSXHZUODIA-UHFFFAOYSA-N 1 2 324.363 2.589 20 30 DFEDLO CC[N@H+](CCC#N)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000081514169 398354844 /nfs/dbraw/zinc/35/48/44/398354844.db2.gz NKPNPUDRTQNDTQ-NSHDSACASA-N 1 2 317.216 2.969 20 30 DFEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000081514169 398354846 /nfs/dbraw/zinc/35/48/46/398354846.db2.gz NKPNPUDRTQNDTQ-NSHDSACASA-N 1 2 317.216 2.969 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000578140542 398370711 /nfs/dbraw/zinc/37/07/11/398370711.db2.gz MGOWZDKDVWYRLA-WDEREUQCSA-N 1 2 311.332 2.897 20 30 DFEDLO Cc1nc2[nH]ccc2c(N2CCC(C#N)(c3ccccn3)CC2)[nH+]1 ZINC000578551976 398374274 /nfs/dbraw/zinc/37/42/74/398374274.db2.gz UJBHWWYYRGVTGF-UHFFFAOYSA-N 1 2 318.384 2.723 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075656 398377735 /nfs/dbraw/zinc/37/77/35/398377735.db2.gz XMRKIMBAKTUNNO-IRXDYDNUSA-N 1 2 324.428 2.877 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)C1=O ZINC000579075656 398377737 /nfs/dbraw/zinc/37/77/37/398377737.db2.gz XMRKIMBAKTUNNO-IRXDYDNUSA-N 1 2 324.428 2.877 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@H]3C#N)cn21 ZINC000596291488 398378444 /nfs/dbraw/zinc/37/84/44/398378444.db2.gz YEQAVNZYVQSLRO-ZFWWWQNUSA-N 1 2 311.389 2.524 20 30 DFEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccncc3C#N)CC2)cc1 ZINC000592067045 398378514 /nfs/dbraw/zinc/37/85/14/398378514.db2.gz OEXQMHVRXAHKPS-UHFFFAOYSA-N 1 2 318.380 2.868 20 30 DFEDLO CC[N@@H+](Cc1ccncc1C#N)Cc1ccc(OC)cc1OC ZINC000592068083 398379113 /nfs/dbraw/zinc/37/91/13/398379113.db2.gz ITYCXLYAKCIYJK-UHFFFAOYSA-N 1 2 311.385 2.993 20 30 DFEDLO CC[N@H+](Cc1ccncc1C#N)Cc1ccc(OC)cc1OC ZINC000592068083 398379115 /nfs/dbraw/zinc/37/91/15/398379115.db2.gz ITYCXLYAKCIYJK-UHFFFAOYSA-N 1 2 311.385 2.993 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000066470478 398379517 /nfs/dbraw/zinc/37/95/17/398379517.db2.gz BJBHHJFKGQXYRH-CQSZACIVSA-N 1 2 311.385 2.801 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000066470478 398379520 /nfs/dbraw/zinc/37/95/20/398379520.db2.gz BJBHHJFKGQXYRH-CQSZACIVSA-N 1 2 311.385 2.801 20 30 DFEDLO COc1cc(C[N@H+](Cc2ccncc2C#N)C2CC2)ccc1O ZINC000592087812 398381995 /nfs/dbraw/zinc/38/19/95/398381995.db2.gz TXQVSTJXDHUYSP-UHFFFAOYSA-N 1 2 309.369 2.832 20 30 DFEDLO COc1cc(C[N@@H+](Cc2ccncc2C#N)C2CC2)ccc1O ZINC000592087812 398382002 /nfs/dbraw/zinc/38/20/02/398382002.db2.gz TXQVSTJXDHUYSP-UHFFFAOYSA-N 1 2 309.369 2.832 20 30 DFEDLO COC(=O)[C@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1 ZINC000083031606 398381220 /nfs/dbraw/zinc/38/12/20/398381220.db2.gz GIWZJQAFUNBVFA-OAHLLOKOSA-N 1 2 304.415 2.505 20 30 DFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592103859 398384338 /nfs/dbraw/zinc/38/43/38/398384338.db2.gz PUFMHXCGFSWLNY-AWEZNQCLSA-N 1 2 301.390 2.507 20 30 DFEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592103859 398384342 /nfs/dbraw/zinc/38/43/42/398384342.db2.gz PUFMHXCGFSWLNY-AWEZNQCLSA-N 1 2 301.390 2.507 20 30 DFEDLO CCC(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000580820988 398385945 /nfs/dbraw/zinc/38/59/45/398385945.db2.gz KEAHKRXPRIXAGA-CYBMUJFWSA-N 1 2 324.808 2.518 20 30 DFEDLO CCC(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000580820988 398385948 /nfs/dbraw/zinc/38/59/48/398385948.db2.gz KEAHKRXPRIXAGA-CYBMUJFWSA-N 1 2 324.808 2.518 20 30 DFEDLO Cc1cccnc1OC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592115812 398386444 /nfs/dbraw/zinc/38/64/44/398386444.db2.gz FFVLEEUBXBYARO-UHFFFAOYSA-N 1 2 308.385 2.700 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171550 398388412 /nfs/dbraw/zinc/38/84/12/398388412.db2.gz QOKIMZKLXWAANS-KSSFIOAISA-N 1 2 322.412 2.678 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000581171550 398388416 /nfs/dbraw/zinc/38/84/16/398388416.db2.gz QOKIMZKLXWAANS-KSSFIOAISA-N 1 2 322.412 2.678 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000592146242 398391074 /nfs/dbraw/zinc/39/10/74/398391074.db2.gz AMWVXBYCCGFXST-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000592146242 398391076 /nfs/dbraw/zinc/39/10/76/398391076.db2.gz AMWVXBYCCGFXST-CQSZACIVSA-N 1 2 316.735 2.792 20 30 DFEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000592145439 398391123 /nfs/dbraw/zinc/39/11/23/398391123.db2.gz UZHQQIHNMBLDKR-CQSZACIVSA-N 1 2 305.428 2.722 20 30 DFEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000592145439 398391125 /nfs/dbraw/zinc/39/11/25/398391125.db2.gz UZHQQIHNMBLDKR-CQSZACIVSA-N 1 2 305.428 2.722 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4cccs4)C3)n2c1 ZINC000092593896 185328168 /nfs/dbraw/zinc/32/81/68/185328168.db2.gz GGJWJMUGLJWXTK-OAHLLOKOSA-N 1 2 324.409 2.841 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 ZINC000581373184 398390748 /nfs/dbraw/zinc/39/07/48/398390748.db2.gz LUBQRKFHEPBINJ-LJQANCHMSA-N 1 2 309.413 2.732 20 30 DFEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000592152444 398391970 /nfs/dbraw/zinc/39/19/70/398391970.db2.gz XWBIHXVUKDJJBS-INIZCTEOSA-N 1 2 317.389 2.800 20 30 DFEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000592152444 398391974 /nfs/dbraw/zinc/39/19/74/398391974.db2.gz XWBIHXVUKDJJBS-INIZCTEOSA-N 1 2 317.389 2.800 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135634 398393966 /nfs/dbraw/zinc/39/39/66/398393966.db2.gz FMHKLFACSYWNIW-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135634 398393973 /nfs/dbraw/zinc/39/39/73/398393973.db2.gz FMHKLFACSYWNIW-CYBMUJFWSA-N 1 2 320.383 2.912 20 30 DFEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000581887263 398394169 /nfs/dbraw/zinc/39/41/69/398394169.db2.gz KLHURTZFFCOXJD-QGZVFWFLSA-N 1 2 313.357 2.646 20 30 DFEDLO N#Cc1csc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000084180056 398394814 /nfs/dbraw/zinc/39/48/14/398394814.db2.gz MXEKBWRTBKFRRW-UHFFFAOYSA-N 1 2 316.773 2.851 20 30 DFEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000016564194 398401561 /nfs/dbraw/zinc/40/15/61/398401561.db2.gz BPRFQJSHJOBXKZ-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000016564194 398401565 /nfs/dbraw/zinc/40/15/65/398401565.db2.gz BPRFQJSHJOBXKZ-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843391 398404354 /nfs/dbraw/zinc/40/43/54/398404354.db2.gz RIJRUFWQLSAONL-UHFFFAOYSA-N 1 2 319.408 2.825 20 30 DFEDLO Cc1cc(NC[C@@H](OC2CCCC2)C(F)(F)F)c(C#N)c[nH+]1 ZINC000596417015 398408229 /nfs/dbraw/zinc/40/82/29/398408229.db2.gz WIEVJOOPSWCHCZ-CQSZACIVSA-N 1 2 313.323 2.986 20 30 DFEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000292954527 529815305 /nfs/dbraw/zinc/81/53/05/529815305.db2.gz CGTHWKODBRPZAM-INIZCTEOSA-N 1 2 308.385 2.677 20 30 DFEDLO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596441176 398412864 /nfs/dbraw/zinc/41/28/64/398412864.db2.gz POUKPWQXRBITHP-UHFFFAOYSA-N 1 2 300.366 2.502 20 30 DFEDLO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596441176 398412867 /nfs/dbraw/zinc/41/28/67/398412867.db2.gz POUKPWQXRBITHP-UHFFFAOYSA-N 1 2 300.366 2.502 20 30 DFEDLO N#CC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000596487442 398426801 /nfs/dbraw/zinc/42/68/01/398426801.db2.gz ACFHTLRGWCRJKH-UHFFFAOYSA-N 1 2 311.389 2.608 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000023258963 398423130 /nfs/dbraw/zinc/42/31/30/398423130.db2.gz XBCRMLJSBSDAHM-UHFFFAOYSA-N 1 2 316.408 2.748 20 30 DFEDLO CC(C)Cn1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000592496633 398434518 /nfs/dbraw/zinc/43/45/18/398434518.db2.gz BXNGLXYEFWDPFB-UHFFFAOYSA-N 1 2 323.444 2.733 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC000592499190 398434566 /nfs/dbraw/zinc/43/45/66/398434566.db2.gz RBARAGAJMNLIJN-AWEZNQCLSA-N 1 2 324.413 2.703 20 30 DFEDLO Cc1csc([C@@H]2CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)n1 ZINC000592499190 398434567 /nfs/dbraw/zinc/43/45/67/398434567.db2.gz RBARAGAJMNLIJN-AWEZNQCLSA-N 1 2 324.413 2.703 20 30 DFEDLO C#CC[NH+]1CCN(c2cncc(SCc3ccccc3)n2)CC1 ZINC000089592079 398457550 /nfs/dbraw/zinc/45/75/50/398457550.db2.gz APTZJTUHFSJAKW-UHFFFAOYSA-N 1 2 324.453 2.524 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000586819268 398465117 /nfs/dbraw/zinc/46/51/17/398465117.db2.gz ZBEJKZOIHRBTOE-CYBMUJFWSA-N 1 2 321.384 2.530 20 30 DFEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067979412 398470072 /nfs/dbraw/zinc/47/00/72/398470072.db2.gz NOSJPFOENMRKNM-AAEUAGOBSA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067979412 398470074 /nfs/dbraw/zinc/47/00/74/398470074.db2.gz NOSJPFOENMRKNM-AAEUAGOBSA-N 1 2 316.323 2.537 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000596657774 398473466 /nfs/dbraw/zinc/47/34/66/398473466.db2.gz UIWUORHLORBNFH-IPMKNSEASA-N 1 2 323.440 2.639 20 30 DFEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000596661659 398474574 /nfs/dbraw/zinc/47/45/74/398474574.db2.gz PAVOHEFGYJSTHU-CYBMUJFWSA-N 1 2 305.809 2.534 20 30 DFEDLO N#CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000596712666 398483899 /nfs/dbraw/zinc/48/38/99/398483899.db2.gz HBRMFODUGWOSIM-UHFFFAOYSA-N 1 2 310.357 2.521 20 30 DFEDLO N#CC1(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000596824403 398508005 /nfs/dbraw/zinc/50/80/05/398508005.db2.gz XGLQSSISJPJKAC-UHFFFAOYSA-N 1 2 310.357 2.521 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 ZINC000589128875 398529614 /nfs/dbraw/zinc/52/96/14/398529614.db2.gz QLBIVGHPWVOPAW-LBPRGKRZSA-N 1 2 300.387 2.721 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593056231 398532334 /nfs/dbraw/zinc/53/23/34/398532334.db2.gz BZLRMCSQXRZBAU-HNNXBMFYSA-N 1 2 321.465 2.561 20 30 DFEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593056231 398532338 /nfs/dbraw/zinc/53/23/38/398532338.db2.gz BZLRMCSQXRZBAU-HNNXBMFYSA-N 1 2 321.465 2.561 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056111 398532661 /nfs/dbraw/zinc/53/26/61/398532661.db2.gz YEGPUHDVEGAHSU-DLBZAZTESA-N 1 2 316.401 2.662 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056111 398532664 /nfs/dbraw/zinc/53/26/64/398532664.db2.gz YEGPUHDVEGAHSU-DLBZAZTESA-N 1 2 316.401 2.662 20 30 DFEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)CO1 ZINC000593063788 398535886 /nfs/dbraw/zinc/53/58/86/398535886.db2.gz NDLWCGAMBPJPGE-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)CO1 ZINC000593063788 398535890 /nfs/dbraw/zinc/53/58/90/398535890.db2.gz NDLWCGAMBPJPGE-WFASDCNBSA-N 1 2 312.373 2.608 20 30 DFEDLO Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000596979005 398539721 /nfs/dbraw/zinc/53/97/21/398539721.db2.gz CYXYQWGFLBLAFH-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000596979005 398539724 /nfs/dbraw/zinc/53/97/24/398539724.db2.gz CYXYQWGFLBLAFH-UHFFFAOYSA-N 1 2 308.307 2.943 20 30 DFEDLO COCC[N@H+](Cc1ccnn1CC1CC1)Cc1ccc(C#N)cc1 ZINC000596984204 398541484 /nfs/dbraw/zinc/54/14/84/398541484.db2.gz QTPYDGRDZLJNNO-UHFFFAOYSA-N 1 2 324.428 2.813 20 30 DFEDLO COCC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccc(C#N)cc1 ZINC000596984204 398541489 /nfs/dbraw/zinc/54/14/89/398541489.db2.gz QTPYDGRDZLJNNO-UHFFFAOYSA-N 1 2 324.428 2.813 20 30 DFEDLO COc1cc(CNC(=O)Nc2ccc3[nH+]ccn3c2)ccc1C#N ZINC000589331417 398546616 /nfs/dbraw/zinc/54/66/16/398546616.db2.gz ZLKZYNPRABQDKE-UHFFFAOYSA-N 1 2 321.340 2.536 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119089 398550947 /nfs/dbraw/zinc/55/09/47/398550947.db2.gz TXXZESVNWPHPJF-ZFWWWQNUSA-N 1 2 306.312 2.503 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119089 398550951 /nfs/dbraw/zinc/55/09/51/398550951.db2.gz TXXZESVNWPHPJF-ZFWWWQNUSA-N 1 2 306.312 2.503 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118923 398551053 /nfs/dbraw/zinc/55/10/53/398551053.db2.gz TXXZESVNWPHPJF-UKRRQHHQSA-N 1 2 306.312 2.503 20 30 DFEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118923 398551058 /nfs/dbraw/zinc/55/10/58/398551058.db2.gz TXXZESVNWPHPJF-UKRRQHHQSA-N 1 2 306.312 2.503 20 30 DFEDLO N#Cc1cccc2c1C[N@H+](CCOCCOc1ccccc1)C2 ZINC000593123121 398552504 /nfs/dbraw/zinc/55/25/04/398552504.db2.gz SXUIXEMEJGZKCI-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO N#Cc1cccc2c1C[N@@H+](CCOCCOc1ccccc1)C2 ZINC000593123121 398552508 /nfs/dbraw/zinc/55/25/08/398552508.db2.gz SXUIXEMEJGZKCI-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125564 398553508 /nfs/dbraw/zinc/55/35/08/398553508.db2.gz OUJIBQOVSOTUMC-QGZVFWFLSA-N 1 2 308.381 2.622 20 30 DFEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125564 398553514 /nfs/dbraw/zinc/55/35/14/398553514.db2.gz OUJIBQOVSOTUMC-QGZVFWFLSA-N 1 2 308.381 2.622 20 30 DFEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccnc(C#N)c1 ZINC000589534978 398559605 /nfs/dbraw/zinc/55/96/05/398559605.db2.gz MOVXNGPMDLAZHH-HNNXBMFYSA-N 1 2 309.373 2.537 20 30 DFEDLO CC(C)Sc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155527 398559979 /nfs/dbraw/zinc/55/99/79/398559979.db2.gz ZBUIIKJUICQJIA-MRXNPFEDSA-N 1 2 305.447 2.761 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)cc1 ZINC000041703580 398571551 /nfs/dbraw/zinc/57/15/51/398571551.db2.gz WXNXZAGDVFVXKB-UHFFFAOYSA-N 1 2 304.353 2.533 20 30 DFEDLO COCC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 ZINC000589742666 398573044 /nfs/dbraw/zinc/57/30/44/398573044.db2.gz ZEAKKGRXUPVXNX-GOSISDBHSA-N 1 2 313.445 2.513 20 30 DFEDLO COCC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 ZINC000589742666 398573050 /nfs/dbraw/zinc/57/30/50/398573050.db2.gz ZEAKKGRXUPVXNX-GOSISDBHSA-N 1 2 313.445 2.513 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1cccc(Br)c1 ZINC000589752589 398574135 /nfs/dbraw/zinc/57/41/35/398574135.db2.gz FTAAFIUSELFBQK-CYBMUJFWSA-N 1 2 312.207 2.651 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1cccc(Br)c1 ZINC000589752589 398574140 /nfs/dbraw/zinc/57/41/40/398574140.db2.gz FTAAFIUSELFBQK-CYBMUJFWSA-N 1 2 312.207 2.651 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279894990 215214747 /nfs/dbraw/zinc/21/47/47/215214747.db2.gz UYOCHYZDGGKBPH-CZUORRHYSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279894990 215214751 /nfs/dbraw/zinc/21/47/51/215214751.db2.gz UYOCHYZDGGKBPH-CZUORRHYSA-N 1 2 315.417 2.632 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279895125 215215341 /nfs/dbraw/zinc/21/53/41/215215341.db2.gz UYTYDNJDLJMOCW-ATNYBXOESA-N 1 2 300.402 2.888 20 30 DFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279895125 215215344 /nfs/dbraw/zinc/21/53/44/215215344.db2.gz UYTYDNJDLJMOCW-ATNYBXOESA-N 1 2 300.402 2.888 20 30 DFEDLO COc1cc(C)c(C)cc1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000597182800 398584159 /nfs/dbraw/zinc/58/41/59/398584159.db2.gz OLMRYWYMKRVUCZ-ZDUSSCGKSA-N 1 2 311.389 2.534 20 30 DFEDLO N#CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000597180687 398583475 /nfs/dbraw/zinc/58/34/75/398583475.db2.gz XSBWHTXKPLHERD-ZDUSSCGKSA-N 1 2 312.348 2.531 20 30 DFEDLO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c([N+](=O)[O-])cc1OC ZINC000597198584 398588444 /nfs/dbraw/zinc/58/84/44/398588444.db2.gz NEHINTNFJLDOPP-WCQYABFASA-N 1 2 319.361 2.784 20 30 DFEDLO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c([N+](=O)[O-])cc1OC ZINC000597198585 398588774 /nfs/dbraw/zinc/58/87/74/398588774.db2.gz NEHINTNFJLDOPP-YPMHNXCESA-N 1 2 319.361 2.784 20 30 DFEDLO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597200479 398589105 /nfs/dbraw/zinc/58/91/05/398589105.db2.gz YCTABCKWMSWWRZ-DGCLKSJQSA-N 1 2 317.345 2.538 20 30 DFEDLO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)c(OC)c1OC ZINC000597196525 398587625 /nfs/dbraw/zinc/58/76/25/398587625.db2.gz FGSBWTSYEMSPPR-JSGCOSHPSA-N 1 2 304.390 2.884 20 30 DFEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)CC1(C#N)CC1 ZINC000593311962 398595824 /nfs/dbraw/zinc/59/58/24/398595824.db2.gz BMRXVVNVKARYQR-HNNXBMFYSA-N 1 2 308.385 2.514 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000070788078 398599056 /nfs/dbraw/zinc/59/90/56/398599056.db2.gz NFNCMKQYRVJYSU-VIFPVBQESA-N 1 2 317.252 2.633 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000070788078 398599060 /nfs/dbraw/zinc/59/90/60/398599060.db2.gz NFNCMKQYRVJYSU-VIFPVBQESA-N 1 2 317.252 2.633 20 30 DFEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000590130198 398599391 /nfs/dbraw/zinc/59/93/91/398599391.db2.gz BFNSSZZVAQDTON-UHFFFAOYSA-N 1 2 317.820 2.678 20 30 DFEDLO N#Cc1cccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000042798466 398602915 /nfs/dbraw/zinc/60/29/15/398602915.db2.gz SBWAQSFISMDMLN-UHFFFAOYSA-N 1 2 310.744 2.789 20 30 DFEDLO Cc1cccc2[nH+]c(CNC(=O)NCC3(C#N)CCCC3)cn21 ZINC000593342726 398604722 /nfs/dbraw/zinc/60/47/22/398604722.db2.gz VVYUFJWYAYPYMW-UHFFFAOYSA-N 1 2 311.389 2.526 20 30 DFEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)CC#N)CC2)s1 ZINC000597276835 398613212 /nfs/dbraw/zinc/61/32/12/398613212.db2.gz SJFFAEHSFHJWIM-CYBMUJFWSA-N 1 2 305.447 2.504 20 30 DFEDLO N#CC1(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000590356141 398616108 /nfs/dbraw/zinc/61/61/08/398616108.db2.gz QWOUIWWYNZLGJT-UHFFFAOYSA-N 1 2 312.417 2.619 20 30 DFEDLO COCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000093099916 398619220 /nfs/dbraw/zinc/61/92/20/398619220.db2.gz FPBYWGIRFGXKOU-UHFFFAOYSA-N 1 2 302.296 2.789 20 30 DFEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000093099916 398619222 /nfs/dbraw/zinc/61/92/22/398619222.db2.gz FPBYWGIRFGXKOU-UHFFFAOYSA-N 1 2 302.296 2.789 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593409131 398621314 /nfs/dbraw/zinc/62/13/14/398621314.db2.gz KNKGAOXDELRBLA-QLFBSQMISA-N 1 2 315.417 2.784 20 30 DFEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593409131 398621315 /nfs/dbraw/zinc/62/13/15/398621315.db2.gz KNKGAOXDELRBLA-QLFBSQMISA-N 1 2 315.417 2.784 20 30 DFEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000593450283 398632956 /nfs/dbraw/zinc/63/29/56/398632956.db2.gz KSGFILSHEHRUIB-KBPBESRZSA-N 1 2 303.381 2.581 20 30 DFEDLO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000155672124 186101745 /nfs/dbraw/zinc/10/17/45/186101745.db2.gz NMMNYSLJRHYFOY-CABCVRRESA-N 1 2 309.360 2.537 20 30 DFEDLO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000155672124 186101747 /nfs/dbraw/zinc/10/17/47/186101747.db2.gz NMMNYSLJRHYFOY-CABCVRRESA-N 1 2 309.360 2.537 20 30 DFEDLO O[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000155734584 186107610 /nfs/dbraw/zinc/10/76/10/186107610.db2.gz HMZPBIDVVPVTKR-ZDUSSCGKSA-N 1 2 303.711 2.691 20 30 DFEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000155734584 186107611 /nfs/dbraw/zinc/10/76/11/186107611.db2.gz HMZPBIDVVPVTKR-ZDUSSCGKSA-N 1 2 303.711 2.691 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593552248 398655678 /nfs/dbraw/zinc/65/56/78/398655678.db2.gz JUWVAPCHDPRJGI-KMUNFCNLSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593552248 398655680 /nfs/dbraw/zinc/65/56/80/398655680.db2.gz JUWVAPCHDPRJGI-KMUNFCNLSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593552250 398655261 /nfs/dbraw/zinc/65/52/61/398655261.db2.gz JUWVAPCHDPRJGI-VCTAVGKDSA-N 1 2 323.799 2.890 20 30 DFEDLO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593552250 398655264 /nfs/dbraw/zinc/65/52/64/398655264.db2.gz JUWVAPCHDPRJGI-VCTAVGKDSA-N 1 2 323.799 2.890 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCCC1(F)F ZINC000590717235 398657462 /nfs/dbraw/zinc/65/74/62/398657462.db2.gz UTSTUHSOQJNFQD-JTQLQIEISA-N 1 2 306.320 2.587 20 30 DFEDLO CC[N@H+](CCCNC(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000045127149 398663040 /nfs/dbraw/zinc/66/30/40/398663040.db2.gz MJHIGFXDICZORF-HNNXBMFYSA-N 1 2 302.422 2.704 20 30 DFEDLO CC[N@@H+](CCCNC(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000045127149 398663044 /nfs/dbraw/zinc/66/30/44/398663044.db2.gz MJHIGFXDICZORF-HNNXBMFYSA-N 1 2 302.422 2.704 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000597656886 398675162 /nfs/dbraw/zinc/67/51/62/398675162.db2.gz NJTNHQNODOKHCT-QAPCUYQASA-N 1 2 322.412 2.767 20 30 DFEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)cc1 ZINC000597656886 398675166 /nfs/dbraw/zinc/67/51/66/398675166.db2.gz NJTNHQNODOKHCT-QAPCUYQASA-N 1 2 322.412 2.767 20 30 DFEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046387822 398706293 /nfs/dbraw/zinc/70/62/93/398706293.db2.gz QAVYFBXCLMDXIG-UHFFFAOYSA-N 1 2 311.385 2.642 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590971698 398710989 /nfs/dbraw/zinc/71/09/89/398710989.db2.gz GZXAJLFUCDTQIM-DOMZBBRYSA-N 1 2 321.218 2.932 20 30 DFEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590971698 398710991 /nfs/dbraw/zinc/71/09/91/398710991.db2.gz GZXAJLFUCDTQIM-DOMZBBRYSA-N 1 2 321.218 2.932 20 30 DFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCCC#N ZINC000593979557 398713214 /nfs/dbraw/zinc/71/32/14/398713214.db2.gz ICJPZUHGIKZWSB-UHFFFAOYSA-N 1 2 315.417 2.850 20 30 DFEDLO C=C(C)C[N@@H+](CC)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000073165319 191287767 /nfs/dbraw/zinc/28/77/67/191287767.db2.gz CVSPVCVSRRIDMJ-UHFFFAOYSA-N 1 2 311.451 2.540 20 30 DFEDLO C=C(C)C[N@H+](CC)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000073165319 191287770 /nfs/dbraw/zinc/28/77/70/191287770.db2.gz CVSPVCVSRRIDMJ-UHFFFAOYSA-N 1 2 311.451 2.540 20 30 DFEDLO COc1cccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000003539891 181032265 /nfs/dbraw/zinc/03/22/65/181032265.db2.gz YIRQAZSXLYCKQJ-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)c1 ZINC000003539891 181032267 /nfs/dbraw/zinc/03/22/67/181032267.db2.gz YIRQAZSXLYCKQJ-UHFFFAOYSA-N 1 2 315.398 2.699 20 30 DFEDLO N#CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000597905786 398717084 /nfs/dbraw/zinc/71/70/84/398717084.db2.gz RSMLPJFBIMWCST-QGZVFWFLSA-N 1 2 322.412 2.626 20 30 DFEDLO C=CCOc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1OC ZINC000109890920 398719305 /nfs/dbraw/zinc/71/93/05/398719305.db2.gz XNDKPHMYQMPRDO-UHFFFAOYSA-N 1 2 300.314 2.613 20 30 DFEDLO Cc1ccccc1CCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109813314 398719365 /nfs/dbraw/zinc/71/93/65/398719365.db2.gz XKAJWFNYWHPUPL-UHFFFAOYSA-N 1 2 315.461 2.916 20 30 DFEDLO Cc1ccccc1CCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109813314 398719368 /nfs/dbraw/zinc/71/93/68/398719368.db2.gz XKAJWFNYWHPUPL-UHFFFAOYSA-N 1 2 315.461 2.916 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594025951 398724625 /nfs/dbraw/zinc/72/46/25/398724625.db2.gz BWICSXKAHFZWSO-AWEZNQCLSA-N 1 2 319.430 2.592 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594025951 398724627 /nfs/dbraw/zinc/72/46/27/398724627.db2.gz BWICSXKAHFZWSO-AWEZNQCLSA-N 1 2 319.430 2.592 20 30 DFEDLO CO[C@H](C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594030951 398726627 /nfs/dbraw/zinc/72/66/27/398726627.db2.gz BBBJCEKMYXKJJM-GFCCVEGCSA-N 1 2 312.373 2.818 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594040492 398728223 /nfs/dbraw/zinc/72/82/23/398728223.db2.gz GDCWIORNLCLSNL-KBPBESRZSA-N 1 2 310.401 2.831 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302126022 283111655 /nfs/dbraw/zinc/11/16/55/283111655.db2.gz ALZYSDQFUMNYNX-UHFFFAOYSA-N 1 2 323.356 2.578 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1nc[nH+]c2c1OCCN2 ZINC000591370715 398753561 /nfs/dbraw/zinc/75/35/61/398753561.db2.gz HABKHHFOSCNNLO-AWEZNQCLSA-N 1 2 307.357 2.642 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1[nH+]cnc2c1OCCN2 ZINC000591370715 398753566 /nfs/dbraw/zinc/75/35/66/398753566.db2.gz HABKHHFOSCNNLO-AWEZNQCLSA-N 1 2 307.357 2.642 20 30 DFEDLO C[C@@H](CC(=O)NC1(c2ccc(C#N)cc2)CCC1)n1cc[nH+]c1 ZINC000594148274 398754788 /nfs/dbraw/zinc/75/47/88/398754788.db2.gz SWUHMHPYULICIL-AWEZNQCLSA-N 1 2 308.385 2.901 20 30 DFEDLO C[C@H](C#N)N(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000598134418 398760135 /nfs/dbraw/zinc/76/01/35/398760135.db2.gz IDWWNDPVMMJMLG-CZUORRHYSA-N 1 2 308.385 2.835 20 30 DFEDLO C[C@H](C#N)N(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000598134417 398760209 /nfs/dbraw/zinc/76/02/09/398760209.db2.gz IDWWNDPVMMJMLG-CJNGLKHVSA-N 1 2 308.385 2.835 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133827696 283163583 /nfs/dbraw/zinc/16/35/83/283163583.db2.gz JKDLOTPOZLPQKF-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133827696 283163587 /nfs/dbraw/zinc/16/35/87/283163587.db2.gz JKDLOTPOZLPQKF-UHFFFAOYSA-N 1 2 309.344 2.694 20 30 DFEDLO C[C@@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)c1cccc(C#N)c1 ZINC000591616677 398776784 /nfs/dbraw/zinc/77/67/84/398776784.db2.gz ZADJGXURIQQVIG-DOMZBBRYSA-N 1 2 312.373 2.686 20 30 DFEDLO CC(C)C[C@H](C#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594278840 398778142 /nfs/dbraw/zinc/77/81/42/398778142.db2.gz BAGBDUPENOBKFR-MNOVXSKESA-N 1 2 316.327 2.511 20 30 DFEDLO N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000372062007 283191277 /nfs/dbraw/zinc/19/12/77/283191277.db2.gz CLSKWUNAOUJOCJ-CQSZACIVSA-N 1 2 323.356 2.942 20 30 DFEDLO CCOc1ccc([C@H](COC)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000591766493 398786121 /nfs/dbraw/zinc/78/61/21/398786121.db2.gz SVZUVLNWHXXIRS-PBHICJAKSA-N 1 2 301.390 2.806 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000591827485 398793288 /nfs/dbraw/zinc/79/32/88/398793288.db2.gz JOLLPPUXADWPRJ-RHSMWYFYSA-N 1 2 322.347 2.789 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000591852954 398795461 /nfs/dbraw/zinc/79/54/61/398795461.db2.gz UDTKNXQXBATAET-CJNGLKHVSA-N 1 2 315.417 2.895 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000591852954 398795463 /nfs/dbraw/zinc/79/54/63/398795463.db2.gz UDTKNXQXBATAET-CJNGLKHVSA-N 1 2 315.417 2.895 20 30 DFEDLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@@H](C)C#N ZINC000598350342 398797836 /nfs/dbraw/zinc/79/78/36/398797836.db2.gz OFVBKRHFVNTSQA-ZDUSSCGKSA-N 1 2 316.430 2.637 20 30 DFEDLO N#CCc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000049766959 398799167 /nfs/dbraw/zinc/79/91/67/398799167.db2.gz KMVFCCSEQVWCPA-UHFFFAOYSA-N 1 2 320.396 2.546 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052075058 398831521 /nfs/dbraw/zinc/83/15/21/398831521.db2.gz GDUAXGZPRYQXEO-DIFFPNOSSA-N 1 2 321.371 2.766 20 30 DFEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052075058 398831523 /nfs/dbraw/zinc/83/15/23/398831523.db2.gz GDUAXGZPRYQXEO-DIFFPNOSSA-N 1 2 321.371 2.766 20 30 DFEDLO C=C(Br)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052440882 398840473 /nfs/dbraw/zinc/84/04/73/398840473.db2.gz GJDVAUJJBHESAH-UHFFFAOYSA-N 1 2 320.234 2.584 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000052455291 398841172 /nfs/dbraw/zinc/84/11/72/398841172.db2.gz ZHFFCWLLUDLUQS-AEFFLSMTSA-N 1 2 315.392 2.771 20 30 DFEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000052455291 398841175 /nfs/dbraw/zinc/84/11/75/398841175.db2.gz ZHFFCWLLUDLUQS-AEFFLSMTSA-N 1 2 315.392 2.771 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000076153569 398844018 /nfs/dbraw/zinc/84/40/18/398844018.db2.gz KXGQZPFEMZNTEH-CVEARBPZSA-N 1 2 310.353 2.617 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000076153569 398844022 /nfs/dbraw/zinc/84/40/22/398844022.db2.gz KXGQZPFEMZNTEH-CVEARBPZSA-N 1 2 310.353 2.617 20 30 DFEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000594712966 398847294 /nfs/dbraw/zinc/84/72/94/398847294.db2.gz XKXJOGIFHXZJBB-LJQANCHMSA-N 1 2 322.408 2.865 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](OCC)C2)c1C ZINC000076400427 398854176 /nfs/dbraw/zinc/85/41/76/398854176.db2.gz MSAHNVIWXCBFRG-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](OCC)C2)c1C ZINC000076400427 398854178 /nfs/dbraw/zinc/85/41/78/398854178.db2.gz MSAHNVIWXCBFRG-INIZCTEOSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](OCC)C2)c1C ZINC000076400422 398854262 /nfs/dbraw/zinc/85/42/62/398854262.db2.gz MSAHNVIWXCBFRG-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](OCC)C2)c1C ZINC000076400422 398854264 /nfs/dbraw/zinc/85/42/64/398854264.db2.gz MSAHNVIWXCBFRG-MRXNPFEDSA-N 1 2 304.434 2.975 20 30 DFEDLO CC[N@@H+](Cc1cc(C(=O)OC)c2n1CCCC2)C[C@@H](C)C#N ZINC000598679717 398854441 /nfs/dbraw/zinc/85/44/41/398854441.db2.gz ZAMWMIBJJVWNII-ZDUSSCGKSA-N 1 2 303.406 2.593 20 30 DFEDLO CC[N@H+](Cc1cc(C(=O)OC)c2n1CCCC2)C[C@@H](C)C#N ZINC000598679717 398854446 /nfs/dbraw/zinc/85/44/46/398854446.db2.gz ZAMWMIBJJVWNII-ZDUSSCGKSA-N 1 2 303.406 2.593 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180480507 199163857 /nfs/dbraw/zinc/16/38/57/199163857.db2.gz USGBRJDZWZBBRX-UHFFFAOYSA-N 1 2 312.335 2.736 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180480507 199163859 /nfs/dbraw/zinc/16/38/59/199163859.db2.gz USGBRJDZWZBBRX-UHFFFAOYSA-N 1 2 312.335 2.736 20 30 DFEDLO CCN(CC)c1ccc(CNc2nnc(C)c(C)c2C#N)c[nH+]1 ZINC000076799696 398870122 /nfs/dbraw/zinc/87/01/22/398870122.db2.gz OGVOBCKKDLOQDO-UHFFFAOYSA-N 1 2 310.405 2.818 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1 ZINC000594940120 398877770 /nfs/dbraw/zinc/87/77/70/398877770.db2.gz HMGLEBZBNOSXPJ-UHFFFAOYSA-N 1 2 301.781 2.669 20 30 DFEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000598836286 398881729 /nfs/dbraw/zinc/88/17/29/398881729.db2.gz FMPVQVPUMCBOIZ-LMMKCTJWSA-N 1 2 313.445 2.605 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOc2ccccc2C1 ZINC000077233830 398892173 /nfs/dbraw/zinc/89/21/73/398892173.db2.gz KWXLXRNQMFMEDK-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOc2ccccc2C1 ZINC000077233830 398892175 /nfs/dbraw/zinc/89/21/75/398892175.db2.gz KWXLXRNQMFMEDK-AWEZNQCLSA-N 1 2 321.380 2.780 20 30 DFEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000142862604 398900054 /nfs/dbraw/zinc/90/00/54/398900054.db2.gz DBXIFMYIENZDRI-UHFFFAOYSA-N 1 2 322.836 2.577 20 30 DFEDLO CCC(F)(F)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000598996332 398905163 /nfs/dbraw/zinc/90/51/63/398905163.db2.gz GJOMVUHUIIMPCX-UHFFFAOYSA-N 1 2 319.359 2.994 20 30 DFEDLO CCn1ccnc1C[N@@H+]1CCCN([C@H](C#N)c2ccccc2)CC1 ZINC000595301928 398919845 /nfs/dbraw/zinc/91/98/45/398919845.db2.gz JUWZBOLDXVKNST-GOSISDBHSA-N 1 2 323.444 2.676 20 30 DFEDLO CCn1ccnc1C[N@H+]1CCCN([C@H](C#N)c2ccccc2)CC1 ZINC000595301928 398919846 /nfs/dbraw/zinc/91/98/46/398919846.db2.gz JUWZBOLDXVKNST-GOSISDBHSA-N 1 2 323.444 2.676 20 30 DFEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595375373 398929258 /nfs/dbraw/zinc/92/92/58/398929258.db2.gz CRNNGLGTZJCLNB-LJQANCHMSA-N 1 2 322.412 2.934 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595375370 398929603 /nfs/dbraw/zinc/92/96/03/398929603.db2.gz CRNNGLGTZJCLNB-IBGZPJMESA-N 1 2 322.412 2.934 20 30 DFEDLO N#Cc1ncccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599178517 398935462 /nfs/dbraw/zinc/93/54/62/398935462.db2.gz JCNPDVWQAXBPHL-UHFFFAOYSA-N 1 2 317.396 2.757 20 30 DFEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cncs2)CC1 ZINC000595428900 398936846 /nfs/dbraw/zinc/93/68/46/398936846.db2.gz PJHULVMVCANXGB-INIZCTEOSA-N 1 2 316.405 2.665 20 30 DFEDLO N#CCc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055697039 398939581 /nfs/dbraw/zinc/93/95/81/398939581.db2.gz YSWNIBMFYSDHLG-UHFFFAOYSA-N 1 2 316.364 2.868 20 30 DFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000155196124 398944961 /nfs/dbraw/zinc/94/49/61/398944961.db2.gz 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ZINC000193251279 201012942 /nfs/dbraw/zinc/01/29/42/201012942.db2.gz IMOPNXUABWNSDT-ZDUSSCGKSA-N 1 2 306.431 2.518 20 30 DFEDLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595609776 398997764 /nfs/dbraw/zinc/99/77/64/398997764.db2.gz OZAGENDVUFKEHT-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595609776 398997767 /nfs/dbraw/zinc/99/77/67/398997767.db2.gz OZAGENDVUFKEHT-ZDUSSCGKSA-N 1 2 312.373 2.871 20 30 DFEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595615810 399003080 /nfs/dbraw/zinc/00/30/80/399003080.db2.gz UEJLUXORYRMGBY-CQSZACIVSA-N 1 2 307.357 2.734 20 30 DFEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595615810 399003083 /nfs/dbraw/zinc/00/30/83/399003083.db2.gz UEJLUXORYRMGBY-CQSZACIVSA-N 1 2 307.357 2.734 20 30 DFEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614526 399001159 /nfs/dbraw/zinc/00/11/59/399001159.db2.gz IUNZBSTWUAOIHH-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614526 399001163 /nfs/dbraw/zinc/00/11/63/399001163.db2.gz IUNZBSTWUAOIHH-OLZOCXBDSA-N 1 2 316.361 2.547 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616140 399003348 /nfs/dbraw/zinc/00/33/48/399003348.db2.gz QHDXHECMAYTPFA-CABCVRRESA-N 1 2 315.417 2.956 20 30 DFEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616140 399003351 /nfs/dbraw/zinc/00/33/51/399003351.db2.gz QHDXHECMAYTPFA-CABCVRRESA-N 1 2 315.417 2.956 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623539 399007357 /nfs/dbraw/zinc/00/73/57/399007357.db2.gz SWGDMLYLFXSSMA-GFCCVEGCSA-N 1 2 317.345 2.507 20 30 DFEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623539 399007363 /nfs/dbraw/zinc/00/73/63/399007363.db2.gz SWGDMLYLFXSSMA-GFCCVEGCSA-N 1 2 317.345 2.507 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623511 399008028 /nfs/dbraw/zinc/00/80/28/399008028.db2.gz RZSHJORMSJWKIK-KBPBESRZSA-N 1 2 306.431 2.777 20 30 DFEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623511 399008033 /nfs/dbraw/zinc/00/80/33/399008033.db2.gz RZSHJORMSJWKIK-KBPBESRZSA-N 1 2 306.431 2.777 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000600212592 399008156 /nfs/dbraw/zinc/00/81/56/399008156.db2.gz GOVMDKMOIMODJA-UHFFFAOYSA-N 1 2 307.401 2.627 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn(C3CCC3)nn1)C2 ZINC000600212592 399008161 /nfs/dbraw/zinc/00/81/61/399008161.db2.gz GOVMDKMOIMODJA-UHFFFAOYSA-N 1 2 307.401 2.627 20 30 DFEDLO Cc1ncsc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629793 399010831 /nfs/dbraw/zinc/01/08/31/399010831.db2.gz LMMHAVNMGIIPFD-UHFFFAOYSA-N 1 2 304.444 2.707 20 30 DFEDLO N#CC1(CN(CC[NH+]2CCOCC2)c2ccccc2Cl)CC1 ZINC000599613532 399029341 /nfs/dbraw/zinc/02/93/41/399029341.db2.gz MBFVUSDIJHIMFK-UHFFFAOYSA-N 1 2 319.836 2.782 20 30 DFEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(=O)Nc1ccc(F)cc1F ZINC000595690401 399036833 /nfs/dbraw/zinc/03/68/33/399036833.db2.gz BLSOYIAUZAWIEZ-WDMOLILDSA-N 1 2 307.344 2.964 20 30 DFEDLO C#CCC(C)(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282510310 334994800 /nfs/dbraw/zinc/99/48/00/334994800.db2.gz ZRIWLJSRRWPEPV-HNNXBMFYSA-N 1 2 313.445 2.975 20 30 DFEDLO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000595696978 399040785 /nfs/dbraw/zinc/04/07/85/399040785.db2.gz CMOVKKZSLABXSD-GLQYFDAESA-N 1 2 319.355 2.742 20 30 DFEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595701541 399044696 /nfs/dbraw/zinc/04/46/96/399044696.db2.gz SNGKYFMIZQXTLB-OLZOCXBDSA-N 1 2 316.361 2.514 20 30 DFEDLO N#CCCOCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595711039 399049552 /nfs/dbraw/zinc/04/95/52/399049552.db2.gz DSYOZJASCINNPU-NSHDSACASA-N 1 2 314.311 2.563 20 30 DFEDLO N#CCCOCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595711039 399049558 /nfs/dbraw/zinc/04/95/58/399049558.db2.gz DSYOZJASCINNPU-NSHDSACASA-N 1 2 314.311 2.563 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](CO)C[C@H]2C)c1C#N ZINC000599674779 399057280 /nfs/dbraw/zinc/05/72/80/399057280.db2.gz IDUZFOADYHTIAV-GDBMZVCRSA-N 1 2 324.428 2.645 20 30 DFEDLO C=CCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275302513 212260521 /nfs/dbraw/zinc/26/05/21/212260521.db2.gz ZZWFSLBCIDZSEP-AWEZNQCLSA-N 1 2 303.406 2.730 20 30 DFEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c1C#N ZINC000599674779 399057284 /nfs/dbraw/zinc/05/72/84/399057284.db2.gz IDUZFOADYHTIAV-GDBMZVCRSA-N 1 2 324.428 2.645 20 30 DFEDLO Cc1cc(C2([NH2+]Cc3cccc(C#N)c3F)CCOCC2)on1 ZINC000599675824 399057336 /nfs/dbraw/zinc/05/73/36/399057336.db2.gz PTWQGNPAFWAGOD-UHFFFAOYSA-N 1 2 315.348 2.789 20 30 DFEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000599676459 399057350 /nfs/dbraw/zinc/05/73/50/399057350.db2.gz RQPDXPJWSZBBPD-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(-c3ccco3)no1)C2 ZINC000599676459 399057354 /nfs/dbraw/zinc/05/73/54/399057354.db2.gz RQPDXPJWSZBBPD-UHFFFAOYSA-N 1 2 320.352 2.954 20 30 DFEDLO C=CCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275302516 212260878 /nfs/dbraw/zinc/26/08/78/212260878.db2.gz ZZWFSLBCIDZSEP-CQSZACIVSA-N 1 2 303.406 2.730 20 30 DFEDLO Cc1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1[N+](=O)[O-] ZINC000599677363 399059256 /nfs/dbraw/zinc/05/92/56/399059256.db2.gz GGMUSJYIIMMLCC-UHFFFAOYSA-N 1 2 312.329 2.516 20 30 DFEDLO Cc1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1[N+](=O)[O-] ZINC000599677363 399059263 /nfs/dbraw/zinc/05/92/63/399059263.db2.gz GGMUSJYIIMMLCC-UHFFFAOYSA-N 1 2 312.329 2.516 20 30 DFEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677678 399059476 /nfs/dbraw/zinc/05/94/76/399059476.db2.gz BVSXOPDVWGGWIK-KRWDZBQOSA-N 1 2 300.402 2.843 20 30 DFEDLO CCC[C@@H](C(=O)OCC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677678 399059481 /nfs/dbraw/zinc/05/94/81/399059481.db2.gz BVSXOPDVWGGWIK-KRWDZBQOSA-N 1 2 300.402 2.843 20 30 DFEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000599681817 399060304 /nfs/dbraw/zinc/06/03/04/399060304.db2.gz SYTDGWCKJKQCAK-GOSISDBHSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000599681817 399060309 /nfs/dbraw/zinc/06/03/09/399060309.db2.gz SYTDGWCKJKQCAK-GOSISDBHSA-N 1 2 324.355 2.970 20 30 DFEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@H]12 ZINC000595733076 399061923 /nfs/dbraw/zinc/06/19/23/399061923.db2.gz QMZSYTZYYLCRHH-MGPQQGTHSA-N 1 2 319.430 2.568 20 30 DFEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@H]12 ZINC000595733076 399061925 /nfs/dbraw/zinc/06/19/25/399061925.db2.gz QMZSYTZYYLCRHH-MGPQQGTHSA-N 1 2 319.430 2.568 20 30 DFEDLO CCN(CCC#N)C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599701916 399069668 /nfs/dbraw/zinc/06/96/68/399069668.db2.gz ZFFCKRAPGVEJPM-UHFFFAOYSA-N 1 2 321.371 2.696 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450531 399073235 /nfs/dbraw/zinc/07/32/35/399073235.db2.gz FGOZPROCUHUFGW-AWEZNQCLSA-N 1 2 302.393 2.945 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000606450531 399073237 /nfs/dbraw/zinc/07/32/37/399073237.db2.gz FGOZPROCUHUFGW-AWEZNQCLSA-N 1 2 302.393 2.945 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)o1 ZINC000092094770 193156193 /nfs/dbraw/zinc/15/61/93/193156193.db2.gz PVEUQEPWCOVSRN-ZBEGNZNMSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)o1 ZINC000092094770 193156195 /nfs/dbraw/zinc/15/61/95/193156195.db2.gz PVEUQEPWCOVSRN-ZBEGNZNMSA-N 1 2 304.296 2.737 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC000292214514 284005634 /nfs/dbraw/zinc/00/56/34/284005634.db2.gz OOJFUEBETAQUJH-QGZVFWFLSA-N 1 2 322.343 2.617 20 30 DFEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC000292214514 284005637 /nfs/dbraw/zinc/00/56/37/284005637.db2.gz OOJFUEBETAQUJH-QGZVFWFLSA-N 1 2 322.343 2.617 20 30 DFEDLO CCN(Cc1cn2cc(Br)ccc2[nH+]1)[C@H](C)C#N ZINC000595812036 399094846 /nfs/dbraw/zinc/09/48/46/399094846.db2.gz CIWGEOXGDMNCRZ-SNVBAGLBSA-N 1 2 307.195 2.831 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826486 399099971 /nfs/dbraw/zinc/09/99/71/399099971.db2.gz CWHLEJXUTSLFTN-OCCSQVGLSA-N 1 2 321.218 2.789 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826486 399099976 /nfs/dbraw/zinc/09/99/76/399099976.db2.gz CWHLEJXUTSLFTN-OCCSQVGLSA-N 1 2 321.218 2.789 20 30 DFEDLO CN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000595832300 399103868 /nfs/dbraw/zinc/10/38/68/399103868.db2.gz AERPWZXMTJKQAD-HKUYNNGSSA-N 1 2 311.429 2.758 20 30 DFEDLO CN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)[C@H]1CCCc2ccccc21 ZINC000595832300 399103872 /nfs/dbraw/zinc/10/38/72/399103872.db2.gz AERPWZXMTJKQAD-HKUYNNGSSA-N 1 2 311.429 2.758 20 30 DFEDLO C=C(C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283671477 335007513 /nfs/dbraw/zinc/00/75/13/335007513.db2.gz YESZRABJVIIAAY-CQSZACIVSA-N 1 2 302.422 2.685 20 30 DFEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000595834309 399105700 /nfs/dbraw/zinc/10/57/00/399105700.db2.gz IROWWBSWAWUAKF-KRWDZBQOSA-N 1 2 317.458 2.521 20 30 DFEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000595834309 399105703 /nfs/dbraw/zinc/10/57/03/399105703.db2.gz IROWWBSWAWUAKF-KRWDZBQOSA-N 1 2 317.458 2.521 20 30 DFEDLO CCN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000595838523 399105980 /nfs/dbraw/zinc/10/59/80/399105980.db2.gz VXCSKQWWZTUIRN-RDTXWAMCSA-N 1 2 317.408 2.971 20 30 DFEDLO CCN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)[C@H](C)c1ccc(F)cc1 ZINC000595838523 399105987 /nfs/dbraw/zinc/10/59/87/399105987.db2.gz VXCSKQWWZTUIRN-RDTXWAMCSA-N 1 2 317.408 2.971 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595839626 399108441 /nfs/dbraw/zinc/10/84/41/399108441.db2.gz KMXKXILKPJQSKK-AEFFLSMTSA-N 1 2 315.392 2.865 20 30 DFEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1=O ZINC000595839626 399108448 /nfs/dbraw/zinc/10/84/48/399108448.db2.gz KMXKXILKPJQSKK-AEFFLSMTSA-N 1 2 315.392 2.865 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@](C)(C#N)C1 ZINC000595845075 399110978 /nfs/dbraw/zinc/11/09/78/399110978.db2.gz YHUYVJFJQDDDDE-SCLBCKFNSA-N 1 2 323.400 2.639 20 30 DFEDLO C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595845701 399111063 /nfs/dbraw/zinc/11/10/63/399111063.db2.gz UMJRXCIALHPNCS-OLZOCXBDSA-N 1 2 311.389 2.755 20 30 DFEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595845076 399111205 /nfs/dbraw/zinc/11/12/05/399111205.db2.gz YHUYVJFJQDDDDE-UGSOOPFHSA-N 1 2 323.400 2.639 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NCc3cccc(C#N)c3)[nH+]c2c1 ZINC000080103217 399117441 /nfs/dbraw/zinc/11/74/41/399117441.db2.gz LRJBTZQBRKIFPJ-UHFFFAOYSA-N 1 2 319.368 2.514 20 30 DFEDLO Cc1nnc(C[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000595884082 399123167 /nfs/dbraw/zinc/12/31/67/399123167.db2.gz CRGZRPSGNQQKJA-UHFFFAOYSA-N 1 2 302.403 2.619 20 30 DFEDLO Cc1nnc(C[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000595884082 399123169 /nfs/dbraw/zinc/12/31/69/399123169.db2.gz CRGZRPSGNQQKJA-UHFFFAOYSA-N 1 2 302.403 2.619 20 30 DFEDLO Cn1c[nH+]cc1CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000614022904 399134664 /nfs/dbraw/zinc/13/46/64/399134664.db2.gz GZCXGVATEKJVAL-UHFFFAOYSA-N 1 2 323.183 2.571 20 30 DFEDLO COC1(c2noc(CC3CC[NH+](CCC#N)CC3)n2)CCCC1 ZINC000595917727 399134870 /nfs/dbraw/zinc/13/48/70/399134870.db2.gz SVWRPEXQNVJFDA-UHFFFAOYSA-N 1 2 318.421 2.653 20 30 DFEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000181388445 399139914 /nfs/dbraw/zinc/13/99/14/399139914.db2.gz NZQCQGPXWMDVOQ-MRXNPFEDSA-N 1 2 316.449 2.654 20 30 DFEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000264455429 203937488 /nfs/dbraw/zinc/93/74/88/203937488.db2.gz IYEODHVXRHRDJI-ZDUSSCGKSA-N 1 2 303.362 2.882 20 30 DFEDLO C=CC[C@@H](CO)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000185362187 399159902 /nfs/dbraw/zinc/15/99/02/399159902.db2.gz AQYKOBNAJRJAKN-AWEZNQCLSA-N 1 2 313.357 2.932 20 30 DFEDLO C#CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284656888 335016071 /nfs/dbraw/zinc/01/60/71/335016071.db2.gz GGRHPWWVORVEES-UHFFFAOYSA-N 1 2 309.163 2.739 20 30 DFEDLO C#CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284656888 335016073 /nfs/dbraw/zinc/01/60/73/335016073.db2.gz GGRHPWWVORVEES-UHFFFAOYSA-N 1 2 309.163 2.739 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1cc(C)c([N+](=O)[O-])c(C#N)c1)C2 ZINC000596101862 399174315 /nfs/dbraw/zinc/17/43/15/399174315.db2.gz LQLCORHOOUMHCK-UHFFFAOYSA-N 1 2 311.345 2.608 20 30 DFEDLO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000271679919 209121045 /nfs/dbraw/zinc/12/10/45/209121045.db2.gz OWFVPVHBNTWVAZ-OAHLLOKOSA-N 1 2 307.397 2.834 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)C2 ZINC000614268034 399193463 /nfs/dbraw/zinc/19/34/63/399193463.db2.gz DJZLCFIVLMPICP-XHDPSFHLSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000614268034 399193467 /nfs/dbraw/zinc/19/34/67/399193467.db2.gz DJZLCFIVLMPICP-XHDPSFHLSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C2 ZINC000614268031 399193498 /nfs/dbraw/zinc/19/34/98/399193498.db2.gz DJZLCFIVLMPICP-ABAIWWIYSA-N 1 2 308.385 2.572 20 30 DFEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000614268031 399193501 /nfs/dbraw/zinc/19/35/01/399193501.db2.gz DJZLCFIVLMPICP-ABAIWWIYSA-N 1 2 308.385 2.572 20 30 DFEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063563447 399194145 /nfs/dbraw/zinc/19/41/45/399194145.db2.gz NOSJPFOENMRKNM-YPMHNXCESA-N 1 2 316.323 2.537 20 30 DFEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063563447 399194148 /nfs/dbraw/zinc/19/41/48/399194148.db2.gz NOSJPFOENMRKNM-YPMHNXCESA-N 1 2 316.323 2.537 20 30 DFEDLO CCN(CC)c1ccc(CNC(=O)C2(C#N)CC3(CC3)C2)c[nH+]1 ZINC000600998742 399198768 /nfs/dbraw/zinc/19/87/68/399198768.db2.gz OFFZBMMFEPNALF-UHFFFAOYSA-N 1 2 312.417 2.628 20 30 DFEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000267350437 206002305 /nfs/dbraw/zinc/00/23/05/206002305.db2.gz GILVSKMGKAQRJT-OAHLLOKOSA-N 1 2 314.414 2.500 20 30 DFEDLO Cc1ccc([C@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000267419351 206054173 /nfs/dbraw/zinc/05/41/73/206054173.db2.gz UEJXHHOTOBAIBD-IBGZPJMESA-N 1 2 322.412 2.747 20 30 DFEDLO C#CCN(CC)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000267582396 206157571 /nfs/dbraw/zinc/15/75/71/206157571.db2.gz HCHWEVMLKMHIGJ-UHFFFAOYSA-N 1 2 324.428 2.681 20 30 DFEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285462861 335026522 /nfs/dbraw/zinc/02/65/22/335026522.db2.gz ZKUODWFPXJOGGG-QGZVFWFLSA-N 1 2 305.805 2.573 20 30 DFEDLO Clc1cccc(C#CC[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285462861 335026523 /nfs/dbraw/zinc/02/65/23/335026523.db2.gz ZKUODWFPXJOGGG-QGZVFWFLSA-N 1 2 305.805 2.573 20 30 DFEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267563668 206147328 /nfs/dbraw/zinc/14/73/28/206147328.db2.gz HBCWNTILOBBNOR-NSHDSACASA-N 1 2 313.336 2.832 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000024669946 182386469 /nfs/dbraw/zinc/38/64/69/182386469.db2.gz BKVHNHBEBTZWHS-UHFFFAOYSA-N 1 2 311.410 2.578 20 30 DFEDLO CN(CCc1[nH]c2ccccc2[nH+]1)c1cc(C#N)nc(C2CC2)n1 ZINC000601182362 399249840 /nfs/dbraw/zinc/24/98/40/399249840.db2.gz SMAAVQJHEZMUQX-UHFFFAOYSA-N 1 2 318.384 2.781 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccccc2CC#N)C[C@H]1n1cc[nH+]c1 ZINC000601315295 399275642 /nfs/dbraw/zinc/27/56/42/399275642.db2.gz XIAJUPXQRHFISR-RHSMWYFYSA-N 1 2 308.385 2.672 20 30 DFEDLO C[C@@H](c1cnn(C2CCCC2)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601315851 399275823 /nfs/dbraw/zinc/27/58/23/399275823.db2.gz DPVIHKDINQKOOR-HNNXBMFYSA-N 1 2 301.438 2.590 20 30 DFEDLO C[C@H](CN(C)c1[nH+]cnc2c1cnn2CCC#N)c1ccccc1 ZINC000608974264 399302456 /nfs/dbraw/zinc/30/24/56/399302456.db2.gz NGRUAVPREGHVLV-CQSZACIVSA-N 1 2 320.400 2.980 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609145555 399306609 /nfs/dbraw/zinc/30/66/09/399306609.db2.gz IIDFRPSYUPIVDE-CQSZACIVSA-N 1 2 321.380 2.952 20 30 DFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609145555 399306613 /nfs/dbraw/zinc/30/66/13/399306613.db2.gz IIDFRPSYUPIVDE-CQSZACIVSA-N 1 2 321.380 2.952 20 30 DFEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601669249 399317826 /nfs/dbraw/zinc/31/78/26/399317826.db2.gz SEDHRNXRLOJYKJ-WBVHZDCISA-N 1 2 308.385 2.613 20 30 DFEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000601687146 399320999 /nfs/dbraw/zinc/32/09/99/399320999.db2.gz XSBVOLBKKIMYMO-QZTJIDSGSA-N 1 2 322.412 2.647 20 30 DFEDLO COCC[N@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000619272461 399324329 /nfs/dbraw/zinc/32/43/29/399324329.db2.gz MJIIMXRUCBKRRV-LJQANCHMSA-N 1 2 312.413 2.605 20 30 DFEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000619272461 399324331 /nfs/dbraw/zinc/32/43/31/399324331.db2.gz MJIIMXRUCBKRRV-LJQANCHMSA-N 1 2 312.413 2.605 20 30 DFEDLO C[C@H](c1ccccc1)N(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000609585277 399324510 /nfs/dbraw/zinc/32/45/10/399324510.db2.gz QYWISAHNSZTCNC-CYBMUJFWSA-N 1 2 306.373 2.937 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N(Cc1ccccc1)C1CC1 ZINC000609586263 399325127 /nfs/dbraw/zinc/32/51/27/399325127.db2.gz ZKTNDXOVZLASLP-UHFFFAOYSA-N 1 2 318.384 2.909 20 30 DFEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000609589508 399325206 /nfs/dbraw/zinc/32/52/06/399325206.db2.gz YCQKXORQTTVCPP-AWEZNQCLSA-N 1 2 302.765 2.698 20 30 DFEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000609589511 399325220 /nfs/dbraw/zinc/32/52/20/399325220.db2.gz YCQKXORQTTVCPP-CQSZACIVSA-N 1 2 302.765 2.698 20 30 DFEDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609624320 399327188 /nfs/dbraw/zinc/32/71/88/399327188.db2.gz VLGOXFUXSKVIBM-GOSISDBHSA-N 1 2 320.396 2.545 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000601709720 399326061 /nfs/dbraw/zinc/32/60/61/399326061.db2.gz FILIPISVYAVGDK-CVEARBPZSA-N 1 2 319.380 2.525 20 30 DFEDLO CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000601709720 399326062 /nfs/dbraw/zinc/32/60/62/399326062.db2.gz FILIPISVYAVGDK-CVEARBPZSA-N 1 2 319.380 2.525 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000286825781 335040033 /nfs/dbraw/zinc/04/00/33/335040033.db2.gz LRBGLXDJWAYMHT-DZGCQCFKSA-N 1 2 305.422 2.606 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H]1c1ccco1 ZINC000609704319 399330274 /nfs/dbraw/zinc/33/02/74/399330274.db2.gz MTADHBFPOOILNN-ZDUSSCGKSA-N 1 2 308.345 2.674 20 30 DFEDLO CS[C@@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000609765505 399330769 /nfs/dbraw/zinc/33/07/69/399330769.db2.gz XKWQQQNNGWTIRU-NWDGAFQWSA-N 1 2 316.434 2.826 20 30 DFEDLO CS[C@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000609765504 399330900 /nfs/dbraw/zinc/33/09/00/399330900.db2.gz XKWQQQNNGWTIRU-NEPJUHHUSA-N 1 2 316.434 2.826 20 30 DFEDLO C[C@@H]1CCN(C(=O)NCC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000268355781 206655136 /nfs/dbraw/zinc/65/51/36/206655136.db2.gz RUYJEWNYQVGVRE-AEFFLSMTSA-N 1 2 322.412 2.527 20 30 DFEDLO Cc1[nH+]c2n(c1C)CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC000609892443 399335398 /nfs/dbraw/zinc/33/53/98/399335398.db2.gz GKINQYJDTHUIMH-UHFFFAOYSA-N 1 2 303.369 2.940 20 30 DFEDLO CCc1ccccc1CNc1[nH+]cnc2c1cnn2CCC#N ZINC000610131455 399343481 /nfs/dbraw/zinc/34/34/81/399343481.db2.gz RCFFPHLEDBCWMJ-UHFFFAOYSA-N 1 2 306.373 2.914 20 30 DFEDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000601819524 399342896 /nfs/dbraw/zinc/34/28/96/399342896.db2.gz JDELNSZKTQKUJS-SJORKVTESA-N 1 2 308.385 2.696 20 30 DFEDLO CCn1cc[nH+]c1[C@@H](Nc1ncccc1C#N)C1CCOCC1 ZINC000284472330 218042477 /nfs/dbraw/zinc/04/24/77/218042477.db2.gz DROMSUCDHLYPLE-HNNXBMFYSA-N 1 2 311.389 2.749 20 30 DFEDLO Cc1cc(C#N)nc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000284514745 218059878 /nfs/dbraw/zinc/05/98/78/218059878.db2.gz JKVKPAUQXDQHOF-HNNXBMFYSA-N 1 2 308.389 2.600 20 30 DFEDLO CCn1ccnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716334 194030119 /nfs/dbraw/zinc/03/01/19/194030119.db2.gz GPGVYGOFLQZMAO-UHFFFAOYSA-N 1 2 310.401 2.818 20 30 DFEDLO C[C@H]1CN(c2[nH+]cnc3c2cnn3CCC#N)[C@@H]1c1ccccc1 ZINC000610283156 399353125 /nfs/dbraw/zinc/35/31/25/399353125.db2.gz LQECCVKBMWFYHZ-BBRMVZONSA-N 1 2 318.384 2.937 20 30 DFEDLO C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000610349975 399359663 /nfs/dbraw/zinc/35/96/63/399359663.db2.gz IFYRWVLJAJDRFF-CYBMUJFWSA-N 1 2 323.400 2.651 20 30 DFEDLO C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610357387 399360197 /nfs/dbraw/zinc/36/01/97/399360197.db2.gz LWGBHXUXNPHZMY-ZDUSSCGKSA-N 1 2 319.368 2.766 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000619546131 399360206 /nfs/dbraw/zinc/36/02/06/399360206.db2.gz QLHJXWFJWPPLEQ-INIZCTEOSA-N 1 2 324.384 2.848 20 30 DFEDLO C=C[C@@H]([NH2+]CC1(c2cccc(OC)c2)CCCC1)C(=O)OC ZINC000619701704 399380162 /nfs/dbraw/zinc/38/01/62/399380162.db2.gz RTWUTOMBACSDDF-MRXNPFEDSA-N 1 2 303.402 2.824 20 30 DFEDLO C=CCCO[C@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000273770027 211043770 /nfs/dbraw/zinc/04/37/70/211043770.db2.gz CNOMRVDQWYALBS-GFCCVEGCSA-N 1 2 311.345 2.971 20 30 DFEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)N1CCCC[C@H]1C ZINC000602003316 399380685 /nfs/dbraw/zinc/38/06/85/399380685.db2.gz UDPILVAKCIVJRY-CHWSQXEVSA-N 1 2 303.381 2.576 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000619720156 399382599 /nfs/dbraw/zinc/38/25/99/399382599.db2.gz IUPPEOAJVJYXHY-QGZVFWFLSA-N 1 2 301.386 2.902 20 30 DFEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000619720156 399382603 /nfs/dbraw/zinc/38/26/03/399382603.db2.gz IUPPEOAJVJYXHY-QGZVFWFLSA-N 1 2 301.386 2.902 20 30 DFEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000619722282 399383803 /nfs/dbraw/zinc/38/38/03/399383803.db2.gz INKUGMNWAIOXHW-MRXNPFEDSA-N 1 2 313.401 2.709 20 30 DFEDLO Cc1cccn2cc(CCNC(=O)c3cc(C#N)cs3)[nH+]c12 ZINC000610619276 399387067 /nfs/dbraw/zinc/38/70/67/399387067.db2.gz GAGIKVCBVFKEDL-UHFFFAOYSA-N 1 2 310.382 2.548 20 30 DFEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602058079 399390491 /nfs/dbraw/zinc/39/04/91/399390491.db2.gz OIHKOMZTLQYMQL-CVEARBPZSA-N 1 2 314.364 2.990 20 30 DFEDLO N#Cc1c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000109759288 194282702 /nfs/dbraw/zinc/28/27/02/194282702.db2.gz DBSMKMHNNDCWKT-GJZGRUSLSA-N 1 2 323.318 2.699 20 30 DFEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cn2ccccc12 ZINC000109759288 194282705 /nfs/dbraw/zinc/28/27/05/194282705.db2.gz DBSMKMHNNDCWKT-GJZGRUSLSA-N 1 2 323.318 2.699 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602106865 399395331 /nfs/dbraw/zinc/39/53/31/399395331.db2.gz LWBWTBLQARFNHU-CBZIJGRNSA-N 1 2 320.396 2.812 20 30 DFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602106865 399395337 /nfs/dbraw/zinc/39/53/37/399395337.db2.gz LWBWTBLQARFNHU-CBZIJGRNSA-N 1 2 320.396 2.812 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602113724 399396865 /nfs/dbraw/zinc/39/68/65/399396865.db2.gz YNBBPSDQAOBOPN-CHWSQXEVSA-N 1 2 309.373 2.845 20 30 DFEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602113724 399396869 /nfs/dbraw/zinc/39/68/69/399396869.db2.gz YNBBPSDQAOBOPN-CHWSQXEVSA-N 1 2 309.373 2.845 20 30 DFEDLO C[C@H](C#N)CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000602125333 399398599 /nfs/dbraw/zinc/39/85/99/399398599.db2.gz IOLPFWPVSYBGBM-ZYHUDNBSSA-N 1 2 314.311 2.527 20 30 DFEDLO C=CCC1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCCC1 ZINC000619882745 399397927 /nfs/dbraw/zinc/39/79/27/399397927.db2.gz NYJFXLKIPALWCW-UHFFFAOYSA-N 1 2 320.477 2.694 20 30 DFEDLO COc1cc(Br)c(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000054180922 183928238 /nfs/dbraw/zinc/92/82/38/183928238.db2.gz NUNYVVVMTDAJQL-VIFPVBQESA-N 1 2 313.195 2.716 20 30 DFEDLO CC(C)C[C@@H](C(=O)N1CCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162857 399403601 /nfs/dbraw/zinc/40/36/01/399403601.db2.gz SZBAQRXMHOPBJL-KRWDZBQOSA-N 1 2 308.385 2.931 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CCCCC1 ZINC000057385761 184036899 /nfs/dbraw/zinc/03/68/99/184036899.db2.gz MPWRUEFKDFOSBV-UHFFFAOYSA-N 1 2 310.401 2.935 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000616047308 399416169 /nfs/dbraw/zinc/41/61/69/399416169.db2.gz KOGHCTGNDIRPIU-SKDRFNHKSA-N 1 2 312.200 2.990 20 30 DFEDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccnc(C#N)c1 ZINC000610991788 399425897 /nfs/dbraw/zinc/42/58/97/399425897.db2.gz YTWGCAJSUCUYND-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccnc(C#N)c1 ZINC000610991788 399425900 /nfs/dbraw/zinc/42/59/00/399425900.db2.gz YTWGCAJSUCUYND-UHFFFAOYSA-N 1 2 303.369 2.771 20 30 DFEDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000610994578 399427099 /nfs/dbraw/zinc/42/70/99/399427099.db2.gz VJMNSHDBIZWKFN-UHFFFAOYSA-N 1 2 306.413 2.892 20 30 DFEDLO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 ZINC000611037835 399430024 /nfs/dbraw/zinc/43/00/24/399430024.db2.gz QPFBUZIMJBKQLJ-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 ZINC000611037835 399430026 /nfs/dbraw/zinc/43/00/26/399430026.db2.gz QPFBUZIMJBKQLJ-PBHICJAKSA-N 1 2 315.323 2.539 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000602439369 399444235 /nfs/dbraw/zinc/44/42/35/399444235.db2.gz ZPMNJUFHTBNGRY-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOc4ccccc4C3)n2c1 ZINC000611262843 399453624 /nfs/dbraw/zinc/45/36/24/399453624.db2.gz OLCRVKYPQPAOTH-UHFFFAOYSA-N 1 2 304.353 2.601 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCOc4ccccc4C3)n2c1 ZINC000611262843 399453626 /nfs/dbraw/zinc/45/36/26/399453626.db2.gz OLCRVKYPQPAOTH-UHFFFAOYSA-N 1 2 304.353 2.601 20 30 DFEDLO Cc1csc(N2CC[N@@H+](Cc3ccc(C#N)o3)C[C@@H]2C)n1 ZINC000611269270 399454624 /nfs/dbraw/zinc/45/46/24/399454624.db2.gz KRPWQKHYUKDLCQ-LBPRGKRZSA-N 1 2 302.403 2.627 20 30 DFEDLO Cc1csc(N2CC[N@H+](Cc3ccc(C#N)o3)C[C@@H]2C)n1 ZINC000611269270 399454628 /nfs/dbraw/zinc/45/46/28/399454628.db2.gz KRPWQKHYUKDLCQ-LBPRGKRZSA-N 1 2 302.403 2.627 20 30 DFEDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000611500768 399482683 /nfs/dbraw/zinc/48/26/83/399482683.db2.gz ZAWPHTFPURUOEN-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000611500768 399482684 /nfs/dbraw/zinc/48/26/84/399482684.db2.gz ZAWPHTFPURUOEN-LLVKDONJSA-N 1 2 309.207 2.932 20 30 DFEDLO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000611516979 399486375 /nfs/dbraw/zinc/48/63/75/399486375.db2.gz PNNUZXVLERHAHJ-KBRIMQKVSA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000611516979 399486377 /nfs/dbraw/zinc/48/63/77/399486377.db2.gz PNNUZXVLERHAHJ-KBRIMQKVSA-N 1 2 315.392 2.734 20 30 DFEDLO C[C@@H]1CN(c2ccc(NCc3cccc(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000602593763 399486774 /nfs/dbraw/zinc/48/67/74/399486774.db2.gz MUYUJFWESNYQMC-OKILXGFUSA-N 1 2 323.400 2.574 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)n1 ZINC000602615224 399491015 /nfs/dbraw/zinc/49/10/15/399491015.db2.gz WRRLHSIDYURADT-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)n1 ZINC000602615224 399491017 /nfs/dbraw/zinc/49/10/17/399491017.db2.gz WRRLHSIDYURADT-LJQANCHMSA-N 1 2 307.397 2.787 20 30 DFEDLO Cc1ccnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000616747259 399509530 /nfs/dbraw/zinc/50/95/30/399509530.db2.gz WAYOWBHEQOXYFV-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO Cc1ccnc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000616747259 399509536 /nfs/dbraw/zinc/50/95/36/399509536.db2.gz WAYOWBHEQOXYFV-UHFFFAOYSA-N 1 2 306.413 2.580 20 30 DFEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000631889441 399520174 /nfs/dbraw/zinc/52/01/74/399520174.db2.gz GHGGVBHAFVFGHM-UHFFFAOYSA-N 1 2 302.393 2.826 20 30 DFEDLO C=C(C)[C@H](CC(=O)NCc1cn2c(cccc2C)[nH+]1)OCC ZINC000270022768 208076652 /nfs/dbraw/zinc/07/66/52/208076652.db2.gz DWSSQFLWYXSPGD-HNNXBMFYSA-N 1 2 301.390 2.630 20 30 DFEDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccccc3C#N)c2cc1C ZINC000270059780 208117355 /nfs/dbraw/zinc/11/73/55/208117355.db2.gz CCYVBMPTRMZYRN-MRXNPFEDSA-N 1 2 321.380 2.965 20 30 DFEDLO CC1CC(n2nnc3c2C[N@H+](Cc2cccc(C#N)c2)CC3)C1 ZINC000602738233 399548825 /nfs/dbraw/zinc/54/88/25/399548825.db2.gz BNTKCBQQBCVWAD-UHFFFAOYSA-N 1 2 307.401 2.679 20 30 DFEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2cccc(C#N)c2)CC3)C1 ZINC000602738233 399548828 /nfs/dbraw/zinc/54/88/28/399548828.db2.gz BNTKCBQQBCVWAD-UHFFFAOYSA-N 1 2 307.401 2.679 20 30 DFEDLO Cc1cc(F)ccc1CN(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000616999025 399560596 /nfs/dbraw/zinc/56/05/96/399560596.db2.gz WSGIQCVVEDOJKZ-UHFFFAOYSA-N 1 2 324.363 2.824 20 30 DFEDLO CCc1ccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC000602766654 399562778 /nfs/dbraw/zinc/56/27/78/399562778.db2.gz OJWFUTSBKJXENU-UHFFFAOYSA-N 1 2 311.429 2.701 20 30 DFEDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000288741984 220384624 /nfs/dbraw/zinc/38/46/24/220384624.db2.gz FTPSQYGZPYSDSK-RYUDHWBXSA-N 1 2 323.234 2.914 20 30 DFEDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000288741984 220384627 /nfs/dbraw/zinc/38/46/27/220384627.db2.gz FTPSQYGZPYSDSK-RYUDHWBXSA-N 1 2 323.234 2.914 20 30 DFEDLO Cc1cccc(NC(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)c1 ZINC000602787183 399573723 /nfs/dbraw/zinc/57/37/23/399573723.db2.gz IOQDLJMUNCCHJU-UHFFFAOYSA-N 1 2 312.417 2.838 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162195 399595726 /nfs/dbraw/zinc/59/57/26/399595726.db2.gz LIEWYVYHFJALAZ-CLCXKQKWSA-N 1 2 311.429 2.978 20 30 DFEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162195 399595728 /nfs/dbraw/zinc/59/57/28/399595728.db2.gz LIEWYVYHFJALAZ-CLCXKQKWSA-N 1 2 311.429 2.978 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164475 399597176 /nfs/dbraw/zinc/59/71/76/399597176.db2.gz GNLYMAAASXSKTF-QFBILLFUSA-N 1 2 313.445 2.968 20 30 DFEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164475 399597179 /nfs/dbraw/zinc/59/71/79/399597179.db2.gz GNLYMAAASXSKTF-QFBILLFUSA-N 1 2 313.445 2.968 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ncccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849046 399600102 /nfs/dbraw/zinc/60/01/02/399600102.db2.gz JKLSHVHPHVAYAT-TXEJJXNPSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ncccc2C(F)(F)F)C[C@H](C)N1CC#N ZINC000602849046 399600108 /nfs/dbraw/zinc/60/01/08/399600108.db2.gz JKLSHVHPHVAYAT-TXEJJXNPSA-N 1 2 312.339 2.519 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2nsc3ccccc32)C[C@H](C)N1CC#N ZINC000602851464 399601992 /nfs/dbraw/zinc/60/19/92/399601992.db2.gz WMNVUNMYFYZSNT-BETUJISGSA-N 1 2 300.431 2.714 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2nsc3ccccc32)C[C@H](C)N1CC#N ZINC000602851464 399601995 /nfs/dbraw/zinc/60/19/95/399601995.db2.gz WMNVUNMYFYZSNT-BETUJISGSA-N 1 2 300.431 2.714 20 30 DFEDLO C[C@H]1C[NH+](Cc2cc(-c3cccs3)on2)C[C@H](C)N1CC#N ZINC000602856543 399605267 /nfs/dbraw/zinc/60/52/67/399605267.db2.gz KJCPYCYBUFLGFJ-STQMWFEESA-N 1 2 316.430 2.821 20 30 DFEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000602865532 399609112 /nfs/dbraw/zinc/60/91/12/399609112.db2.gz WFZSUELPZFBFSF-NXEZZACHSA-N 1 2 315.295 2.804 20 30 DFEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602867540 399609140 /nfs/dbraw/zinc/60/91/40/399609140.db2.gz DRCUNPXDXKKQKV-STQMWFEESA-N 1 2 316.430 2.911 20 30 DFEDLO CC(C)c1nnc(CC2CC[NH+](CC3(C#N)CCC3)CC2)[nH]1 ZINC000602867090 399608619 /nfs/dbraw/zinc/60/86/19/399608619.db2.gz XSCJGUNBJBAWFN-UHFFFAOYSA-N 1 2 301.438 2.876 20 30 DFEDLO CC(C)c1nc(CC2CC[NH+](CC3(C#N)CCC3)CC2)n[nH]1 ZINC000602867090 399608626 /nfs/dbraw/zinc/60/86/26/399608626.db2.gz XSCJGUNBJBAWFN-UHFFFAOYSA-N 1 2 301.438 2.876 20 30 DFEDLO N#Cc1ccsc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000052029743 542445305 /nfs/dbraw/zinc/44/53/05/542445305.db2.gz WAYMPVJWXSSQPA-UHFFFAOYSA-N 1 2 312.398 2.545 20 30 DFEDLO Cc1ncc(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)s1 ZINC000120453015 195169734 /nfs/dbraw/zinc/16/97/34/195169734.db2.gz GECLOSUWHKILOP-UHFFFAOYSA-N 1 2 318.471 2.703 20 30 DFEDLO N#Cc1ccc2[nH+]cc(CNc3ccn(CC(F)(F)F)n3)n2c1 ZINC000120716705 195222876 /nfs/dbraw/zinc/22/28/76/195222876.db2.gz WRWCNKHXOGPZLA-UHFFFAOYSA-N 1 2 320.278 2.577 20 30 DFEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000288534351 335056168 /nfs/dbraw/zinc/05/61/68/335056168.db2.gz UDPHKTVCDRVTBA-QGZVFWFLSA-N 1 2 309.413 2.615 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000612526416 399670060 /nfs/dbraw/zinc/67/00/60/399670060.db2.gz YFVJQGNJGNZILI-LLVKDONJSA-N 1 2 323.331 2.993 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1C1CC1 ZINC000602972282 399643661 /nfs/dbraw/zinc/64/36/61/399643661.db2.gz ITCSWYKSMKHPGB-CABCVRRESA-N 1 2 321.218 2.666 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1C1CC1 ZINC000602972282 399643665 /nfs/dbraw/zinc/64/36/65/399643665.db2.gz ITCSWYKSMKHPGB-CABCVRRESA-N 1 2 321.218 2.666 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405926 399644781 /nfs/dbraw/zinc/64/47/81/399644781.db2.gz FDXAJUOOKWQJNE-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405926 399644783 /nfs/dbraw/zinc/64/47/83/399644783.db2.gz FDXAJUOOKWQJNE-QGZVFWFLSA-N 1 2 304.390 2.838 20 30 DFEDLO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602976180 399646024 /nfs/dbraw/zinc/64/60/24/399646024.db2.gz MITYCHRSCWREMN-BJJXKVORSA-N 1 2 303.381 2.627 20 30 DFEDLO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602976180 399646031 /nfs/dbraw/zinc/64/60/31/399646031.db2.gz MITYCHRSCWREMN-BJJXKVORSA-N 1 2 303.381 2.627 20 30 DFEDLO N#Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000612596380 399685467 /nfs/dbraw/zinc/68/54/67/399685467.db2.gz PFHGKQBJALXQQA-CQSZACIVSA-N 1 2 314.776 2.885 20 30 DFEDLO CC(C)n1cc[nH+]c1Cn1cc(COc2cccc(C#N)c2)nn1 ZINC000603223527 399715619 /nfs/dbraw/zinc/71/56/19/399715619.db2.gz SQXCVKAQVUQKDM-UHFFFAOYSA-N 1 2 322.372 2.554 20 30 DFEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000289260502 335061417 /nfs/dbraw/zinc/06/14/17/335061417.db2.gz MOWFRAOVVGBQPI-ROUUACIJSA-N 1 2 311.381 2.585 20 30 DFEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000289260502 335061418 /nfs/dbraw/zinc/06/14/18/335061418.db2.gz MOWFRAOVVGBQPI-ROUUACIJSA-N 1 2 311.381 2.585 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1 ZINC000289671439 335062615 /nfs/dbraw/zinc/06/26/15/335062615.db2.gz NOSPKJCSYPGDIE-LFRPXUGBSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1 ZINC000289671439 335062616 /nfs/dbraw/zinc/06/26/16/335062616.db2.gz NOSPKJCSYPGDIE-LFRPXUGBSA-N 1 2 307.459 2.983 20 30 DFEDLO C=CCN(C(=O)Cn1c(CC)[nH+]c2ccccc21)[C@@H](C)COC ZINC000617576279 399744679 /nfs/dbraw/zinc/74/46/79/399744679.db2.gz PWEMWMNGSRRYDK-AWEZNQCLSA-N 1 2 315.417 2.648 20 30 DFEDLO C=CC[C@@H]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000617780176 399797644 /nfs/dbraw/zinc/79/76/44/399797644.db2.gz PUEXLIDNJLSLHF-CYBMUJFWSA-N 1 2 300.393 2.778 20 30 DFEDLO CC(C)c1ccnc(N2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000192191301 542848509 /nfs/dbraw/zinc/84/85/09/542848509.db2.gz NBZGDTIVCIDFIG-UHFFFAOYSA-N 1 2 320.440 2.774 20 30 DFEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cn(C(C)C)nn1)C(C)C ZINC000289928202 335067213 /nfs/dbraw/zinc/06/72/13/335067213.db2.gz ZXXRNQDSHSBXSK-KRWDZBQOSA-N 1 2 305.470 2.647 20 30 DFEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1cn(C(C)C)nn1)C(C)C ZINC000289928206 335067224 /nfs/dbraw/zinc/06/72/24/335067224.db2.gz ZXXRNQDSHSBXSK-QGZVFWFLSA-N 1 2 305.470 2.647 20 30 DFEDLO C=CCC[C@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000316301724 543073445 /nfs/dbraw/zinc/07/34/45/543073445.db2.gz JNBSBXPHLJKPFS-SNVBAGLBSA-N 1 2 300.200 2.595 20 30 DFEDLO CC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)sc2C1 ZINC000329001324 543099323 /nfs/dbraw/zinc/09/93/23/543099323.db2.gz VYWWKSUIPUCVJU-MDZLAQPJSA-N 1 2 323.462 2.965 20 30 DFEDLO CC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)sc2C1 ZINC000329001324 543099324 /nfs/dbraw/zinc/09/93/24/543099324.db2.gz VYWWKSUIPUCVJU-MDZLAQPJSA-N 1 2 323.462 2.965 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@H](c2ncc(C)s2)C2CC2)[N@H+](C)C1 ZINC000329045414 543099598 /nfs/dbraw/zinc/09/95/98/543099598.db2.gz USYRUCTVWRTAOX-AVGNSLFASA-N 1 2 309.435 2.578 20 30 DFEDLO CO[C@H]1C[C@@H](C(=O)N[C@H](c2ncc(C)s2)C2CC2)[N@@H+](C)C1 ZINC000329045414 543099599 /nfs/dbraw/zinc/09/95/99/543099599.db2.gz USYRUCTVWRTAOX-AVGNSLFASA-N 1 2 309.435 2.578 20 30 DFEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCc4cccnc43)sc2C1 ZINC000329278219 543102504 /nfs/dbraw/zinc/10/25/04/543102504.db2.gz JQJLLFSMERXFQV-NSHDSACASA-N 1 2 314.414 2.844 20 30 DFEDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCc4cccnc43)sc2C1 ZINC000329278219 543102505 /nfs/dbraw/zinc/10/25/05/543102505.db2.gz JQJLLFSMERXFQV-NSHDSACASA-N 1 2 314.414 2.844 20 30 DFEDLO N#CCCCOc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000604527888 399852544 /nfs/dbraw/zinc/85/25/44/399852544.db2.gz BSELPWAHLIRJDD-UHFFFAOYSA-N 1 2 312.373 2.985 20 30 DFEDLO Cc1cc(C)cc(CN(C)c2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000617972476 399853949 /nfs/dbraw/zinc/85/39/49/399853949.db2.gz XWMFJPCPFQWFAR-UHFFFAOYSA-N 1 2 320.400 2.993 20 30 DFEDLO Cc1csc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000604552250 399854862 /nfs/dbraw/zinc/85/48/62/399854862.db2.gz XHMFGYMYQQSSFP-CJNGLKHVSA-N 1 2 320.462 2.643 20 30 DFEDLO Cc1csc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000604552250 399854864 /nfs/dbraw/zinc/85/48/64/399854864.db2.gz XHMFGYMYQQSSFP-CJNGLKHVSA-N 1 2 320.462 2.643 20 30 DFEDLO Cc1ccccc1CN(C)c1[nH+]cnc2c1cnn2CCC#N ZINC000604559260 399856607 /nfs/dbraw/zinc/85/66/07/399856607.db2.gz JZXAEUYKEGRLCC-UHFFFAOYSA-N 1 2 306.373 2.685 20 30 DFEDLO Cc1cc(CNc2[nH+]cnc3c2cnn3CCC#N)ccc1F ZINC000604557989 399856305 /nfs/dbraw/zinc/85/63/05/399856305.db2.gz DCYCSJOECKLCRW-UHFFFAOYSA-N 1 2 310.336 2.800 20 30 DFEDLO N#CCCn1ncc2c1nc[nH+]c2NCCOC1CCCCC1 ZINC000604558977 399856597 /nfs/dbraw/zinc/85/65/97/399856597.db2.gz XQDFWOFCUGIDBI-UHFFFAOYSA-N 1 2 314.393 2.501 20 30 DFEDLO N#Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000167281881 145239036 /nfs/dbraw/zinc/23/90/36/145239036.db2.gz QGDKHIJUANIWGC-CQSZACIVSA-N 1 2 309.329 2.552 20 30 DFEDLO N#Cc1cnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171364836 145263901 /nfs/dbraw/zinc/26/39/01/145263901.db2.gz AFSHVGUQHMNMBP-GFCCVEGCSA-N 1 2 313.792 2.940 20 30 DFEDLO C=C[C@](C)(CC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303975 400012551 /nfs/dbraw/zinc/01/25/51/400012551.db2.gz PAFWIQRFSPDLHM-QGZVFWFLSA-N 1 2 319.474 2.853 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246004185 146113299 /nfs/dbraw/zinc/11/32/99/146113299.db2.gz KDJZSECSMFVPMF-DLBZAZTESA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246004185 146113300 /nfs/dbraw/zinc/11/33/00/146113300.db2.gz KDJZSECSMFVPMF-DLBZAZTESA-N 1 2 312.369 2.567 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361422380 149111617 /nfs/dbraw/zinc/11/16/17/149111617.db2.gz LHHDVSFCNMBMPJ-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361422380 149111620 /nfs/dbraw/zinc/11/16/20/149111620.db2.gz LHHDVSFCNMBMPJ-AWEZNQCLSA-N 1 2 308.385 2.721 20 30 DFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361483330 149127387 /nfs/dbraw/zinc/12/73/87/149127387.db2.gz DGVGQDCYTHMOTO-WBVHZDCISA-N 1 2 320.820 2.982 20 30 DFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCOC2)O1 ZINC000361483330 149127388 /nfs/dbraw/zinc/12/73/88/149127388.db2.gz DGVGQDCYTHMOTO-WBVHZDCISA-N 1 2 320.820 2.982 20 30 DFEDLO CCc1noc(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362065541 149287553 /nfs/dbraw/zinc/28/75/53/149287553.db2.gz STTFFYHAHBEZEW-GOSISDBHSA-N 1 2 311.385 2.991 20 30 DFEDLO CCc1noc(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362065541 149287554 /nfs/dbraw/zinc/28/75/54/149287554.db2.gz STTFFYHAHBEZEW-GOSISDBHSA-N 1 2 311.385 2.991 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362392882 149296145 /nfs/dbraw/zinc/29/61/45/149296145.db2.gz VEOZLGXSYUKGNY-AWEZNQCLSA-N 1 2 323.356 2.942 20 30 DFEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000290234801 335070336 /nfs/dbraw/zinc/07/03/36/335070336.db2.gz UXCMWBIYQMJMNC-UHFFFAOYSA-N 1 2 312.438 2.991 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)nn1 ZINC000667987601 543718614 /nfs/dbraw/zinc/71/86/14/543718614.db2.gz MSFJOTHHBHTEMZ-UHFFFAOYSA-N 1 2 322.416 2.829 20 30 DFEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000677047721 544425431 /nfs/dbraw/zinc/42/54/31/544425431.db2.gz HKEMJTXMEJZBCA-CYBMUJFWSA-N 1 2 306.356 2.525 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000678337170 544653811 /nfs/dbraw/zinc/65/38/11/544653811.db2.gz CVECJCMKVURGCV-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000678337170 544653816 /nfs/dbraw/zinc/65/38/16/544653816.db2.gz CVECJCMKVURGCV-QZTJIDSGSA-N 1 2 303.402 2.631 20 30 DFEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000299580344 229228840 /nfs/dbraw/zinc/22/88/40/229228840.db2.gz IMDJWVLHFNWZAW-ZDUSSCGKSA-N 1 2 323.356 2.800 20 30 DFEDLO N#Cc1ccc(NCc2[nH+]ccn2CCCc2ccccc2)nn1 ZINC000301976423 230016269 /nfs/dbraw/zinc/01/62/69/230016269.db2.gz WFLSXYBPOIIAPT-UHFFFAOYSA-N 1 2 318.384 2.790 20 30 DFEDLO Cc1cc(N2CCC(OC[C@@H]3CCOC3)CC2)c(C#N)c(C)[nH+]1 ZINC000302123977 230106365 /nfs/dbraw/zinc/10/63/65/230106365.db2.gz FDBHAJQBIRUDSZ-OAHLLOKOSA-N 1 2 315.417 2.592 20 30 DFEDLO Cc1cc(N2CCC(OC[C@H]3CCOC3)CC2)c(C#N)c(C)[nH+]1 ZINC000302123975 230106885 /nfs/dbraw/zinc/10/68/85/230106885.db2.gz FDBHAJQBIRUDSZ-HNNXBMFYSA-N 1 2 315.417 2.592 20 30 DFEDLO Cc1nc(Nc2cnn(-c3ncccc3C#N)c2)c(C)c(C)[nH+]1 ZINC000302178785 230143759 /nfs/dbraw/zinc/14/37/59/230143759.db2.gz XMTXSAXPOUQNQD-UHFFFAOYSA-N 1 2 305.345 2.598 20 30 DFEDLO C=CC[N@H+](CC(=O)NCC1CCC1)Cc1ccc(OC)cc1 ZINC000066495487 425904817 /nfs/dbraw/zinc/90/48/17/425904817.db2.gz BFBRVCDIMKCHDL-UHFFFAOYSA-N 1 2 302.418 2.600 20 30 DFEDLO C=CC[N@@H+](CC(=O)NCC1CCC1)Cc1ccc(OC)cc1 ZINC000066495487 425904818 /nfs/dbraw/zinc/90/48/18/425904818.db2.gz BFBRVCDIMKCHDL-UHFFFAOYSA-N 1 2 302.418 2.600 20 30 DFEDLO CC(C)c1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)no1 ZINC000067099988 425908699 /nfs/dbraw/zinc/90/86/99/425908699.db2.gz LZXJOFLAVNJYSC-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000420931352 269862539 /nfs/dbraw/zinc/86/25/39/269862539.db2.gz TYFUKNWYMKVXFF-DGCLKSJQSA-N 1 2 321.446 2.957 20 30 DFEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000420931352 269862541 /nfs/dbraw/zinc/86/25/41/269862541.db2.gz TYFUKNWYMKVXFF-DGCLKSJQSA-N 1 2 321.446 2.957 20 30 DFEDLO Cn1c2ccc(CNC(=O)c3ccc(C#N)o3)cc2[nH+]c1C1CC1 ZINC000412327068 269932537 /nfs/dbraw/zinc/93/25/37/269932537.db2.gz AJRDHQNJVVEWSQ-UHFFFAOYSA-N 1 2 320.352 2.845 20 30 DFEDLO Cc1cc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425219142 270000951 /nfs/dbraw/zinc/00/09/51/270000951.db2.gz GDBYCKCHUZAWGQ-AWEZNQCLSA-N 1 2 314.433 2.639 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451202438 270001348 /nfs/dbraw/zinc/00/13/48/270001348.db2.gz NAXMBILXHOAZCV-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451202438 270001349 /nfs/dbraw/zinc/00/13/49/270001349.db2.gz NAXMBILXHOAZCV-UHFFFAOYSA-N 1 2 323.371 2.961 20 30 DFEDLO N#Cc1ccc(OC2C[NH+](Cc3cccc4c3OCO4)C2)cc1 ZINC000459620311 270002001 /nfs/dbraw/zinc/00/20/01/270002001.db2.gz VNXJCGHDJQCYHI-UHFFFAOYSA-N 1 2 308.337 2.550 20 30 DFEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000533308960 270002646 /nfs/dbraw/zinc/00/26/46/270002646.db2.gz SVEDVODBHHRLME-MRXNPFEDSA-N 1 2 300.333 2.529 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1C ZINC000533347493 270002979 /nfs/dbraw/zinc/00/29/79/270002979.db2.gz AFWWNBSQIODFBH-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1C ZINC000533347493 270002980 /nfs/dbraw/zinc/00/29/80/270002980.db2.gz AFWWNBSQIODFBH-MRXNPFEDSA-N 1 2 324.384 2.939 20 30 DFEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c1 ZINC000156660157 425936146 /nfs/dbraw/zinc/93/61/46/425936146.db2.gz WXJIMIFFQKGQIT-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c1 ZINC000156660157 425936148 /nfs/dbraw/zinc/93/61/48/425936148.db2.gz WXJIMIFFQKGQIT-QGZVFWFLSA-N 1 2 302.418 2.811 20 30 DFEDLO OCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1cccnc1 ZINC000157064489 425937242 /nfs/dbraw/zinc/93/72/42/425937242.db2.gz MNUMMWFMICBEEF-UHFFFAOYSA-N 1 2 300.789 2.581 20 30 DFEDLO OCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1cccnc1 ZINC000157064489 425937244 /nfs/dbraw/zinc/93/72/44/425937244.db2.gz MNUMMWFMICBEEF-UHFFFAOYSA-N 1 2 300.789 2.581 20 30 DFEDLO CCCCCn1cc(C[NH2+]Cc2nc(C#N)cs2)c(C)n1 ZINC000352811804 266026489 /nfs/dbraw/zinc/02/64/89/266026489.db2.gz UMESUSPSDYYCBD-UHFFFAOYSA-N 1 2 303.435 3.000 20 30 DFEDLO CCOc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OC ZINC000352851570 266309184 /nfs/dbraw/zinc/30/91/84/266309184.db2.gz ZSVBHLXRAUZIOO-UHFFFAOYSA-N 1 2 303.387 2.712 20 30 DFEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H](CC)O1 ZINC000398526814 266382121 /nfs/dbraw/zinc/38/21/21/266382121.db2.gz PNSHXOADDJHUIG-IAOVAPTHSA-N 1 2 315.417 2.775 20 30 DFEDLO CCCCNC(=O)c1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425202977 267009624 /nfs/dbraw/zinc/00/96/24/267009624.db2.gz DMHAPFBPGUQSIQ-UHFFFAOYSA-N 1 2 322.412 2.826 20 30 DFEDLO C[C@@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000342574111 267011122 /nfs/dbraw/zinc/01/11/22/267011122.db2.gz HZQXBOBJSZHSIR-APWZRJJASA-N 1 2 323.440 2.805 20 30 DFEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccn3)c[nH+]2)C[C@@H](C)O1 ZINC000341527359 267062963 /nfs/dbraw/zinc/06/29/63/267062963.db2.gz DUHIOMGWEJGFRY-ZIAGYGMSSA-N 1 2 323.400 2.574 20 30 DFEDLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676179 267089420 /nfs/dbraw/zinc/08/94/20/267089420.db2.gz VIBQVKYITZMBQS-NEPJUHHUSA-N 1 2 323.234 2.771 20 30 DFEDLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000398676179 267089421 /nfs/dbraw/zinc/08/94/21/267089421.db2.gz VIBQVKYITZMBQS-NEPJUHHUSA-N 1 2 323.234 2.771 20 30 DFEDLO CC[C@@H](F)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000440781752 267188202 /nfs/dbraw/zinc/18/82/02/267188202.db2.gz IUZCDTOFFTWTCU-GFCCVEGCSA-N 1 2 318.352 2.676 20 30 DFEDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000492498923 267255068 /nfs/dbraw/zinc/25/50/68/267255068.db2.gz HVVVHGMWWXJRFU-MDZDMXLPSA-N 1 2 320.396 2.979 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(C#N)[nH]c1C ZINC000451391426 267256549 /nfs/dbraw/zinc/25/65/49/267256549.db2.gz GHNFZKVVHNBIBM-HNNXBMFYSA-N 1 2 311.389 2.779 20 30 DFEDLO CCn1cc[nH+]c1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425585168 267257159 /nfs/dbraw/zinc/25/71/59/267257159.db2.gz KBZXUNLHCOYEKV-CYBMUJFWSA-N 1 2 311.389 2.677 20 30 DFEDLO C[N@H+](CCC(F)(F)F)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000438783992 267305484 /nfs/dbraw/zinc/30/54/84/267305484.db2.gz IDQNGHCGTPMQAY-UHFFFAOYSA-N 1 2 310.279 2.992 20 30 DFEDLO C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000438783992 267305488 /nfs/dbraw/zinc/30/54/88/267305488.db2.gz IDQNGHCGTPMQAY-UHFFFAOYSA-N 1 2 310.279 2.992 20 30 DFEDLO C[N@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000430024473 267323616 /nfs/dbraw/zinc/32/36/16/267323616.db2.gz IIWPMPKPIRSJQI-UHFFFAOYSA-N 1 2 317.396 2.830 20 30 DFEDLO C[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000430024473 267323618 /nfs/dbraw/zinc/32/36/18/267323618.db2.gz IIWPMPKPIRSJQI-UHFFFAOYSA-N 1 2 317.396 2.830 20 30 DFEDLO C[N@@H+](Cc1ncccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000528532716 267324913 /nfs/dbraw/zinc/32/49/13/267324913.db2.gz AHGLXPINMBMBQI-MRXNPFEDSA-N 1 2 301.777 2.772 20 30 DFEDLO C[N@H+](Cc1ncccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000528532716 267324915 /nfs/dbraw/zinc/32/49/15/267324915.db2.gz AHGLXPINMBMBQI-MRXNPFEDSA-N 1 2 301.777 2.772 20 30 DFEDLO Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)cc(C#N)n1 ZINC000342844672 267339882 /nfs/dbraw/zinc/33/98/82/267339882.db2.gz WQGNECWZAPDROH-CYBMUJFWSA-N 1 2 313.430 2.601 20 30 DFEDLO C=CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000046167787 425864506 /nfs/dbraw/zinc/86/45/06/425864506.db2.gz CAQNMZJCWJNVFB-UHFFFAOYSA-N 1 2 301.253 2.814 20 30 DFEDLO N#Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000341003908 267979942 /nfs/dbraw/zinc/97/99/42/267979942.db2.gz ZYFBZDNQAJZPPU-UHFFFAOYSA-N 1 2 320.327 2.813 20 30 DFEDLO Cc1noc(C)c1CN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000488193184 268096132 /nfs/dbraw/zinc/09/61/32/268096132.db2.gz ZNTRQLNOVZBZQR-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488193184 268096136 /nfs/dbraw/zinc/09/61/36/268096136.db2.gz ZNTRQLNOVZBZQR-UHFFFAOYSA-N 1 2 324.428 2.789 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000285415035 268096536 /nfs/dbraw/zinc/09/65/36/268096536.db2.gz VGOCCJAOSDKEFT-UHFFFAOYSA-N 1 2 314.776 2.674 20 30 DFEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000264633410 268100747 /nfs/dbraw/zinc/10/07/47/268100747.db2.gz LDDDNRXRALRIKT-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425508395 268181284 /nfs/dbraw/zinc/18/12/84/268181284.db2.gz NNMKKDIYMRMUTG-HNNXBMFYSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425508395 268181286 /nfs/dbraw/zinc/18/12/86/268181286.db2.gz NNMKKDIYMRMUTG-HNNXBMFYSA-N 1 2 301.781 2.640 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451894910 268181363 /nfs/dbraw/zinc/18/13/63/268181363.db2.gz SKJQLWPXLHAWSB-GWCFXTLKSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451894910 268181365 /nfs/dbraw/zinc/18/13/65/268181365.db2.gz SKJQLWPXLHAWSB-GWCFXTLKSA-N 1 2 318.726 2.957 20 30 DFEDLO N#Cc1ccc(CN2CC[NH+](C/C=C\c3ccncc3)CC2)cc1 ZINC000495050085 268221173 /nfs/dbraw/zinc/22/11/73/268221173.db2.gz STAABFSHCJMUCK-UPHRSURJSA-N 1 2 318.424 2.784 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(Br)c1 ZINC000421021286 268223894 /nfs/dbraw/zinc/22/38/94/268223894.db2.gz OKFUMTHCJRVOMJ-CQSZACIVSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CC[C@]23CCOC3)c(Br)c1 ZINC000421021286 268223896 /nfs/dbraw/zinc/22/38/96/268223896.db2.gz OKFUMTHCJRVOMJ-CQSZACIVSA-N 1 2 307.191 2.686 20 30 DFEDLO N#Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(C(F)(F)F)c1 ZINC000449409655 268233353 /nfs/dbraw/zinc/23/33/53/268233353.db2.gz VAJVBOKBWZRJBR-UHFFFAOYSA-N 1 2 321.306 2.862 20 30 DFEDLO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccncc3)CC2)c(F)c1 ZINC000494942230 268235002 /nfs/dbraw/zinc/23/50/02/268235002.db2.gz QDIFKCPKSHGJRR-UPHRSURJSA-N 1 2 322.387 2.928 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)c1 ZINC000340536184 268244870 /nfs/dbraw/zinc/24/48/70/268244870.db2.gz XXIJTSRSQNSHIC-GOSISDBHSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000340536184 268244872 /nfs/dbraw/zinc/24/48/72/268244872.db2.gz XXIJTSRSQNSHIC-GOSISDBHSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1cccc(CC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000340536184 268244873 /nfs/dbraw/zinc/24/48/73/268244873.db2.gz XXIJTSRSQNSHIC-GOSISDBHSA-N 1 2 321.359 2.737 20 30 DFEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1F ZINC000352880539 268247909 /nfs/dbraw/zinc/24/79/09/268247909.db2.gz XLUGSHIRKVQYDN-UHFFFAOYSA-N 1 2 311.360 2.725 20 30 DFEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CCn3cc[nH+]c3)sc2C1 ZINC000292748962 268287720 /nfs/dbraw/zinc/28/77/20/268287720.db2.gz UVRPNRRINHZORK-NSHDSACASA-N 1 2 314.414 2.970 20 30 DFEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000425218750 268293162 /nfs/dbraw/zinc/29/31/62/268293162.db2.gz FFHAAGQOWHVVDW-CYBMUJFWSA-N 1 2 323.356 2.800 20 30 DFEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccco3)CC2)c1Cl ZINC000341478276 268294178 /nfs/dbraw/zinc/29/41/78/268294178.db2.gz XITVBRWLIOPDHQ-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157676656 425939012 /nfs/dbraw/zinc/93/90/12/425939012.db2.gz OUUVSUPNKPSBRJ-HNNXBMFYSA-N 1 2 317.433 2.525 20 30 DFEDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157676656 425939015 /nfs/dbraw/zinc/93/90/15/425939015.db2.gz OUUVSUPNKPSBRJ-HNNXBMFYSA-N 1 2 317.433 2.525 20 30 DFEDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(C#N)c1 ZINC000106242734 425971194 /nfs/dbraw/zinc/97/11/94/425971194.db2.gz JNEOJGIEVQMDMK-QWRGUYRKSA-N 1 2 300.387 2.693 20 30 DFEDLO C=CC[N@@H+](Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108871158 426023700 /nfs/dbraw/zinc/02/37/00/426023700.db2.gz KUBMEGFDJRCOIY-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO C=CC[N@H+](Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108871158 426023701 /nfs/dbraw/zinc/02/37/01/426023701.db2.gz KUBMEGFDJRCOIY-AWEZNQCLSA-N 1 2 311.472 2.584 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)s1 ZINC000127184827 426055622 /nfs/dbraw/zinc/05/56/22/426055622.db2.gz FUZXSJSBIMRORR-MRXNPFEDSA-N 1 2 300.383 2.899 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)s1 ZINC000127184827 426055624 /nfs/dbraw/zinc/05/56/24/426055624.db2.gz FUZXSJSBIMRORR-MRXNPFEDSA-N 1 2 300.383 2.899 20 30 DFEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000111756621 426058118 /nfs/dbraw/zinc/05/81/18/426058118.db2.gz WQLAPBNMBFZFEN-UHFFFAOYSA-N 1 2 313.336 2.763 20 30 DFEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127569250 426072563 /nfs/dbraw/zinc/07/25/63/426072563.db2.gz JFCYKRPZFIPSAG-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127569250 426072564 /nfs/dbraw/zinc/07/25/64/426072564.db2.gz JFCYKRPZFIPSAG-IBGZPJMESA-N 1 2 324.380 2.716 20 30 DFEDLO N#Cc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127494238 426069264 /nfs/dbraw/zinc/06/92/64/426069264.db2.gz AQURMDCQHFPXAY-MRXNPFEDSA-N 1 2 308.341 2.638 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000127483729 426069729 /nfs/dbraw/zinc/06/97/29/426069729.db2.gz PVDRRWNMRONMFM-GOSISDBHSA-N 1 2 324.428 2.507 20 30 DFEDLO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000127483729 426069731 /nfs/dbraw/zinc/06/97/31/426069731.db2.gz PVDRRWNMRONMFM-GOSISDBHSA-N 1 2 324.428 2.507 20 30 DFEDLO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000127483729 426069733 /nfs/dbraw/zinc/06/97/33/426069733.db2.gz PVDRRWNMRONMFM-GOSISDBHSA-N 1 2 324.428 2.507 20 30 DFEDLO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000108393520 426015906 /nfs/dbraw/zinc/01/59/06/426015906.db2.gz SHBQYPWYXFNBHT-CQSZACIVSA-N 1 2 321.446 2.839 20 30 DFEDLO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000108393520 426015909 /nfs/dbraw/zinc/01/59/09/426015909.db2.gz SHBQYPWYXFNBHT-CQSZACIVSA-N 1 2 321.446 2.839 20 30 DFEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072590350 426017948 /nfs/dbraw/zinc/01/79/48/426017948.db2.gz FPGAZVMDZORNAE-UHFFFAOYSA-N 1 2 309.753 2.861 20 30 DFEDLO N#Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000072650826 426018023 /nfs/dbraw/zinc/01/80/23/426018023.db2.gz URNQZCIWTLCBLE-UHFFFAOYSA-N 1 2 321.380 2.643 20 30 DFEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000127969363 426095451 /nfs/dbraw/zinc/09/54/51/426095451.db2.gz WTUTZKVWYBRRTP-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000127969363 426095455 /nfs/dbraw/zinc/09/54/55/426095455.db2.gz WTUTZKVWYBRRTP-LLVKDONJSA-N 1 2 300.387 2.646 20 30 DFEDLO C#C[C@@H](C)[NH2+]Cc1ncc(Br)cc1Br ZINC000166390799 426127695 /nfs/dbraw/zinc/12/76/95/426127695.db2.gz HMIFDVZEHUOVRI-SSDOTTSWSA-N 1 2 318.012 2.718 20 30 DFEDLO CCOC(=O)N[C@H](C/[NH+]=C/c1cc(OC)ccc1O)CC(C)C ZINC000075474252 426073665 /nfs/dbraw/zinc/07/36/65/426073665.db2.gz VHAACONLSIJIEQ-XKYMITNMSA-N 1 2 322.405 2.981 20 30 DFEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112643662 426086248 /nfs/dbraw/zinc/08/62/48/426086248.db2.gz VQGBVSVAACEASM-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112643662 426086251 /nfs/dbraw/zinc/08/62/51/426086251.db2.gz VQGBVSVAACEASM-MNOVXSKESA-N 1 2 323.849 2.976 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCOc2ccccc2C#N)o1 ZINC000116893985 426201083 /nfs/dbraw/zinc/20/10/83/426201083.db2.gz WHUNCKQHKIDZFW-INIZCTEOSA-N 1 2 312.369 2.912 20 30 DFEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCOc2ccccc2C#N)o1 ZINC000116893985 426201084 /nfs/dbraw/zinc/20/10/84/426201084.db2.gz WHUNCKQHKIDZFW-INIZCTEOSA-N 1 2 312.369 2.912 20 30 DFEDLO C#CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@@H]1CCc2ccccc21 ZINC000114714626 426142733 /nfs/dbraw/zinc/14/27/33/426142733.db2.gz RXHWOHHNEFNQKR-QGZVFWFLSA-N 1 2 322.412 2.588 20 30 DFEDLO C#CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@@H]1CCc2ccccc21 ZINC000114714626 426142735 /nfs/dbraw/zinc/14/27/35/426142735.db2.gz RXHWOHHNEFNQKR-QGZVFWFLSA-N 1 2 322.412 2.588 20 30 DFEDLO Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130435927 426158999 /nfs/dbraw/zinc/15/89/99/426158999.db2.gz MJRSKNHZJJHNHP-INIZCTEOSA-N 1 2 320.396 2.661 20 30 DFEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCOCC1 ZINC000078407291 426169662 /nfs/dbraw/zinc/16/96/62/426169662.db2.gz BTKRBDORVXVJAT-IYPWXLATSA-N 1 2 317.216 2.839 20 30 DFEDLO C#CCCCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000133385398 426175332 /nfs/dbraw/zinc/17/53/32/426175332.db2.gz ZXPUBIHAWQPGQG-HNNXBMFYSA-N 1 2 323.387 2.670 20 30 DFEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)CCCCC1 ZINC000116290117 426185511 /nfs/dbraw/zinc/18/55/11/426185511.db2.gz YDJNMTXNSMYVOM-AWEZNQCLSA-N 1 2 301.390 2.759 20 30 DFEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)CCCCC1 ZINC000116290117 426185514 /nfs/dbraw/zinc/18/55/14/426185514.db2.gz YDJNMTXNSMYVOM-AWEZNQCLSA-N 1 2 301.390 2.759 20 30 DFEDLO Cc1cc(C)c(C#N)c(N2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000171365096 426186569 /nfs/dbraw/zinc/18/65/69/426186569.db2.gz ILEABAIIAOXKFP-HNNXBMFYSA-N 1 2 307.401 2.904 20 30 DFEDLO CC[C@]1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000135625146 426224716 /nfs/dbraw/zinc/22/47/16/426224716.db2.gz UFQCJJGLYVGXFO-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO CC[C@]1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000135625146 426224720 /nfs/dbraw/zinc/22/47/20/426224720.db2.gz UFQCJJGLYVGXFO-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO CCOC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083173099 426229175 /nfs/dbraw/zinc/22/91/75/426229175.db2.gz BLDARKFAJFHUBS-WBVHZDCISA-N 1 2 316.401 2.521 20 30 DFEDLO CCOC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083173099 426229177 /nfs/dbraw/zinc/22/91/77/426229177.db2.gz BLDARKFAJFHUBS-WBVHZDCISA-N 1 2 316.401 2.521 20 30 DFEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000118390381 426233910 /nfs/dbraw/zinc/23/39/10/426233910.db2.gz IHMVNSSQIHJJTC-AWEZNQCLSA-N 1 2 309.369 2.670 20 30 DFEDLO Cc1cc(C)c2ncc(C#N)c(N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000174687270 426263100 /nfs/dbraw/zinc/26/31/00/426263100.db2.gz WQQAOPRJQICWHX-OAHLLOKOSA-N 1 2 324.428 2.856 20 30 DFEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171836013 426214919 /nfs/dbraw/zinc/21/49/19/426214919.db2.gz BUEYCSWSSFRXID-LJQANCHMSA-N 1 2 318.380 2.979 20 30 DFEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)C#N)c2C1 ZINC000171839968 426215516 /nfs/dbraw/zinc/21/55/16/426215516.db2.gz FZFDGTFXHROSSE-CYBMUJFWSA-N 1 2 322.412 2.502 20 30 DFEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)C#N)c2C1 ZINC000171839968 426215519 /nfs/dbraw/zinc/21/55/19/426215519.db2.gz FZFDGTFXHROSSE-CYBMUJFWSA-N 1 2 322.412 2.502 20 30 DFEDLO C=CCCCC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000175283455 426294711 /nfs/dbraw/zinc/29/47/11/426294711.db2.gz OLVRLPCXKWECAI-SFHVURJKSA-N 1 2 316.445 2.841 20 30 DFEDLO N#CC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000151592284 426303046 /nfs/dbraw/zinc/30/30/46/426303046.db2.gz QVHWPOLNHPYQBZ-UHFFFAOYSA-N 1 2 302.328 2.886 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120032104 426305926 /nfs/dbraw/zinc/30/59/26/426305926.db2.gz FJPIJHZPWVHLMA-WBMJQRKESA-N 1 2 324.856 2.553 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120032104 426305930 /nfs/dbraw/zinc/30/59/30/426305930.db2.gz FJPIJHZPWVHLMA-WBMJQRKESA-N 1 2 324.856 2.553 20 30 DFEDLO C=CCOc1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000151696282 426308363 /nfs/dbraw/zinc/30/83/63/426308363.db2.gz AROBFDOQXQFPES-CYBMUJFWSA-N 1 2 306.431 2.627 20 30 DFEDLO CCOc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151717926 426309548 /nfs/dbraw/zinc/30/95/48/426309548.db2.gz LTRGFYGZYLXQFJ-GOSISDBHSA-N 1 2 323.396 2.582 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120630169 426314036 /nfs/dbraw/zinc/31/40/36/426314036.db2.gz ULHMBVDUGWPRGQ-UHFFFAOYSA-N 1 2 308.372 2.748 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120630169 426314038 /nfs/dbraw/zinc/31/40/38/426314038.db2.gz ULHMBVDUGWPRGQ-UHFFFAOYSA-N 1 2 308.372 2.748 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121180519 426321560 /nfs/dbraw/zinc/32/15/60/426321560.db2.gz VZALMDNQLYFCHD-IBGZPJMESA-N 1 2 316.445 2.659 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121180519 426321562 /nfs/dbraw/zinc/32/15/62/426321562.db2.gz VZALMDNQLYFCHD-IBGZPJMESA-N 1 2 316.445 2.659 20 30 DFEDLO C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152116855 426328276 /nfs/dbraw/zinc/32/82/76/426328276.db2.gz PFYNWEZZAHGRSJ-YOEHRIQHSA-N 1 2 323.400 2.547 20 30 DFEDLO CO[C@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175135384 426281797 /nfs/dbraw/zinc/28/17/97/426281797.db2.gz KXSNBVRTAVTJEU-GFCCVEGCSA-N 1 2 312.373 2.813 20 30 DFEDLO CO[C@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000175135384 426281800 /nfs/dbraw/zinc/28/18/00/426281800.db2.gz KXSNBVRTAVTJEU-GFCCVEGCSA-N 1 2 312.373 2.813 20 30 DFEDLO Cc1ccc(F)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000122904093 426402153 /nfs/dbraw/zinc/40/21/53/426402153.db2.gz CGXBAVJLSBDOEN-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000175989329 426344551 /nfs/dbraw/zinc/34/45/51/426344551.db2.gz VYADLLUAQHARMY-QGZVFWFLSA-N 1 2 320.396 2.823 20 30 DFEDLO Cc1nc(COc2ccc(C[N@@H+](C)[C@H](C)CC#N)cc2)no1 ZINC000093091051 426353528 /nfs/dbraw/zinc/35/35/28/426353528.db2.gz AXEJNPHUYYLDCR-GFCCVEGCSA-N 1 2 300.362 2.691 20 30 DFEDLO Cc1nc(COc2ccc(C[N@H+](C)[C@H](C)CC#N)cc2)no1 ZINC000093091051 426353530 /nfs/dbraw/zinc/35/35/30/426353530.db2.gz AXEJNPHUYYLDCR-GFCCVEGCSA-N 1 2 300.362 2.691 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000122511054 426379646 /nfs/dbraw/zinc/37/96/46/426379646.db2.gz FZBUMSDMIMYLTC-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CCOCC2)c1 ZINC000154497037 426442567 /nfs/dbraw/zinc/44/25/67/426442567.db2.gz YIJBXNXXPLQBLQ-UHFFFAOYSA-N 1 2 308.381 2.969 20 30 DFEDLO C[C@]([NH2+]CC#Cc1ccc(Cl)cc1)(C(N)=O)c1ccccc1 ZINC000177086814 426442749 /nfs/dbraw/zinc/44/27/49/426442749.db2.gz QHWMMDSOOFHVTF-GOSISDBHSA-N 1 2 312.800 2.682 20 30 DFEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000177120460 426444805 /nfs/dbraw/zinc/44/48/05/426444805.db2.gz OTBNVBYEKRAPKH-SECBINFHSA-N 1 2 309.460 2.612 20 30 DFEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H](C)C2)c(C#N)c1C ZINC000177120460 426444807 /nfs/dbraw/zinc/44/48/07/426444807.db2.gz OTBNVBYEKRAPKH-SECBINFHSA-N 1 2 309.460 2.612 20 30 DFEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340963449 269029542 /nfs/dbraw/zinc/02/95/42/269029542.db2.gz GSRMZFWWAQSGTH-GXTWGEPZSA-N 1 2 316.298 2.975 20 30 DFEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1F ZINC000340963449 269029544 /nfs/dbraw/zinc/02/95/44/269029544.db2.gz GSRMZFWWAQSGTH-GXTWGEPZSA-N 1 2 316.298 2.975 20 30 DFEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154875901 426458267 /nfs/dbraw/zinc/45/82/67/426458267.db2.gz TXIPANJZWJORKJ-UHFFFAOYSA-N 1 2 323.396 2.852 20 30 DFEDLO Cc1nc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)cs1 ZINC000123960455 426463404 /nfs/dbraw/zinc/46/34/04/426463404.db2.gz ADISFOJFTCMLQH-UHFFFAOYSA-N 1 2 318.471 2.703 20 30 DFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000155243570 426467486 /nfs/dbraw/zinc/46/74/86/426467486.db2.gz ZCOPNQSSPSKZBU-IUODEOHRSA-N 1 2 305.809 2.927 20 30 DFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000155243570 426467488 /nfs/dbraw/zinc/46/74/88/426467488.db2.gz ZCOPNQSSPSKZBU-IUODEOHRSA-N 1 2 305.809 2.927 20 30 DFEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000155289350 426469291 /nfs/dbraw/zinc/46/92/91/426469291.db2.gz VZKBQPQMGQREHZ-IBGZPJMESA-N 1 2 307.397 2.775 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000101564157 426484916 /nfs/dbraw/zinc/48/49/16/426484916.db2.gz AEYRNTCJJBSKNW-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000101564157 426484917 /nfs/dbraw/zinc/48/49/17/426484917.db2.gz AEYRNTCJJBSKNW-OAHLLOKOSA-N 1 2 303.381 2.578 20 30 DFEDLO N#CC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000195309339 426513129 /nfs/dbraw/zinc/51/31/29/426513129.db2.gz HNCNOVOQPTZDKJ-UHFFFAOYSA-N 1 2 323.190 2.913 20 30 DFEDLO C=CCCCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000177784211 426520622 /nfs/dbraw/zinc/52/06/22/426520622.db2.gz WAEHIGSCKZOHFD-UHFFFAOYSA-N 1 2 302.418 2.708 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000264365380 426543652 /nfs/dbraw/zinc/54/36/52/426543652.db2.gz IFPHQNNMZPGRIH-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000264365380 426543657 /nfs/dbraw/zinc/54/36/57/426543657.db2.gz IFPHQNNMZPGRIH-OAHLLOKOSA-N 1 2 317.408 2.824 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000177545644 426494355 /nfs/dbraw/zinc/49/43/55/426494355.db2.gz BHKGGYBWRCMIJO-DGCLKSJQSA-N 1 2 300.387 2.540 20 30 DFEDLO C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000264446017 426554340 /nfs/dbraw/zinc/55/43/40/426554340.db2.gz UTJKYDWYGQYNGW-NSHDSACASA-N 1 2 313.323 2.710 20 30 DFEDLO N#Cc1nc(N2CC[NH+](Cc3ccco3)CC2)ccc1Cl ZINC000264520668 426566965 /nfs/dbraw/zinc/56/69/65/426566965.db2.gz FJIGKZYDDIUNMY-UHFFFAOYSA-N 1 2 302.765 2.522 20 30 DFEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC=C(F)C2)c(OC)c1 ZINC000272594840 426567895 /nfs/dbraw/zinc/56/78/95/426567895.db2.gz XSLCFFMXFRXAQX-INIZCTEOSA-N 1 2 321.392 2.723 20 30 DFEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC=C(F)C2)c(OC)c1 ZINC000272594840 426567898 /nfs/dbraw/zinc/56/78/98/426567898.db2.gz XSLCFFMXFRXAQX-INIZCTEOSA-N 1 2 321.392 2.723 20 30 DFEDLO Cc1nc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCCC2)no1 ZINC000264534239 426570961 /nfs/dbraw/zinc/57/09/61/426570961.db2.gz FRGPXQLDIVIUML-UHFFFAOYSA-N 1 2 312.373 2.840 20 30 DFEDLO Cc1ccnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000273037768 426580318 /nfs/dbraw/zinc/58/03/18/426580318.db2.gz OFNWYMDPOCUMMY-GOSISDBHSA-N 1 2 322.412 2.747 20 30 DFEDLO COc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1C#N ZINC000289134179 426588841 /nfs/dbraw/zinc/58/88/41/426588841.db2.gz YAWGQDVUSONCEQ-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO COc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1C#N ZINC000289134179 426588850 /nfs/dbraw/zinc/58/88/50/426588850.db2.gz YAWGQDVUSONCEQ-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)Cn1cc[nH+]c1 ZINC000265280407 426613580 /nfs/dbraw/zinc/61/35/80/426613580.db2.gz WIKZXPZGNNFMEB-JTQLQIEISA-N 1 2 309.295 2.917 20 30 DFEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000272567173 426561209 /nfs/dbraw/zinc/56/12/09/426561209.db2.gz MMJPYMRVZJLTOV-UHFFFAOYSA-N 1 2 316.792 2.776 20 30 DFEDLO C=C(Cl)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000265517355 426650025 /nfs/dbraw/zinc/65/00/25/426650025.db2.gz LPJFVSVJDCMKHV-UHFFFAOYSA-N 1 2 309.822 2.745 20 30 DFEDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187364215 426652246 /nfs/dbraw/zinc/65/22/46/426652246.db2.gz BBSNHHFFWRSSSR-MRXNPFEDSA-N 1 2 308.809 2.839 20 30 DFEDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187364215 426652251 /nfs/dbraw/zinc/65/22/51/426652251.db2.gz BBSNHHFFWRSSSR-MRXNPFEDSA-N 1 2 308.809 2.839 20 30 DFEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178588751 426659777 /nfs/dbraw/zinc/65/97/77/426659777.db2.gz YZLVFQKJWQOESK-UHFFFAOYSA-N 1 2 305.341 2.836 20 30 DFEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3cccs3)n2)C1=O ZINC000281446839 426719547 /nfs/dbraw/zinc/71/95/47/426719547.db2.gz UISQGYPKGBTBJV-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)C1=O ZINC000281446839 426719551 /nfs/dbraw/zinc/71/95/51/426719551.db2.gz UISQGYPKGBTBJV-ZDUSSCGKSA-N 1 2 317.414 2.622 20 30 DFEDLO C=CC[C@H](CC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281037754 426700117 /nfs/dbraw/zinc/70/01/17/426700117.db2.gz IOVKYOPSGGTLMV-INIZCTEOSA-N 1 2 302.418 2.603 20 30 DFEDLO C=CCCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274531188 426786886 /nfs/dbraw/zinc/78/68/86/426786886.db2.gz DALIDNMXZZHXFN-UHFFFAOYSA-N 1 2 302.418 2.605 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000274349714 426751154 /nfs/dbraw/zinc/75/11/54/426751154.db2.gz OYHNBVOFGZZDFE-ZDUSSCGKSA-N 1 2 309.479 2.614 20 30 DFEDLO C#C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000281985246 426807040 /nfs/dbraw/zinc/80/70/40/426807040.db2.gz JOFJCPHKVLRVRM-HNNXBMFYSA-N 1 2 315.442 2.650 20 30 DFEDLO C#C[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000274716228 426824303 /nfs/dbraw/zinc/82/43/03/426824303.db2.gz CENJOODPRDVCOD-RYUDHWBXSA-N 1 2 306.435 2.518 20 30 DFEDLO C#C[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000274716228 426824307 /nfs/dbraw/zinc/82/43/07/426824307.db2.gz CENJOODPRDVCOD-RYUDHWBXSA-N 1 2 306.435 2.518 20 30 DFEDLO C#CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)C1CC1 ZINC000274939604 426857878 /nfs/dbraw/zinc/85/78/78/426857878.db2.gz AYSPPBSAJZYNDS-UHFFFAOYSA-N 1 2 318.218 2.933 20 30 DFEDLO C#CC[N@H+](Cc1nc2ccc(Br)cc2n1C)C1CC1 ZINC000274939604 426857882 /nfs/dbraw/zinc/85/78/82/426857882.db2.gz AYSPPBSAJZYNDS-UHFFFAOYSA-N 1 2 318.218 2.933 20 30 DFEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)C(F)(F)F ZINC000189516174 426876370 /nfs/dbraw/zinc/87/63/70/426876370.db2.gz GKTXLIQVCGEVRV-LBPRGKRZSA-N 1 2 306.715 2.957 20 30 DFEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)C(F)(F)F ZINC000189516174 426876376 /nfs/dbraw/zinc/87/63/76/426876376.db2.gz GKTXLIQVCGEVRV-LBPRGKRZSA-N 1 2 306.715 2.957 20 30 DFEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)C(F)(F)F ZINC000189545579 426884534 /nfs/dbraw/zinc/88/45/34/426884534.db2.gz HZYASUZSKONZDU-AWEZNQCLSA-N 1 2 311.307 2.556 20 30 DFEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)C(F)(F)F ZINC000189545579 426884542 /nfs/dbraw/zinc/88/45/42/426884542.db2.gz HZYASUZSKONZDU-AWEZNQCLSA-N 1 2 311.307 2.556 20 30 DFEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)C(F)(F)F ZINC000189545601 426884844 /nfs/dbraw/zinc/88/48/44/426884844.db2.gz HZYASUZSKONZDU-CQSZACIVSA-N 1 2 311.307 2.556 20 30 DFEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)C(F)(F)F ZINC000189545601 426884847 /nfs/dbraw/zinc/88/48/47/426884847.db2.gz HZYASUZSKONZDU-CQSZACIVSA-N 1 2 311.307 2.556 20 30 DFEDLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1C#N ZINC000291551821 426912327 /nfs/dbraw/zinc/91/23/27/426912327.db2.gz AXWCFPCMQVAJPM-SFHVURJKSA-N 1 2 322.412 2.747 20 30 DFEDLO C[C@H]1CCN(c2c(C#N)nnc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000268288454 426978178 /nfs/dbraw/zinc/97/81/78/426978178.db2.gz UGHXHXWRDOKOPL-SUMWQHHRSA-N 1 2 318.384 2.785 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC12CCC2 ZINC000328599057 426981191 /nfs/dbraw/zinc/98/11/91/426981191.db2.gz BQBOTHUVWZKOHH-UHFFFAOYSA-N 1 2 302.422 2.694 20 30 DFEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CCS1 ZINC000328726343 426992153 /nfs/dbraw/zinc/99/21/53/426992153.db2.gz UOMRPBGZIVWHHY-UONOGXRCSA-N 1 2 322.478 2.810 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247492380 426941882 /nfs/dbraw/zinc/94/18/82/426941882.db2.gz LAWBHMHFCQRFEY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247492380 426941886 /nfs/dbraw/zinc/94/18/86/426941886.db2.gz LAWBHMHFCQRFEY-WMZOPIPTSA-N 1 2 316.445 2.873 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328795608 426998545 /nfs/dbraw/zinc/99/85/45/426998545.db2.gz UDSXHFBIKPAREP-QBPKDAKJSA-N 1 2 324.465 2.790 20 30 DFEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328795608 426998551 /nfs/dbraw/zinc/99/85/51/426998551.db2.gz UDSXHFBIKPAREP-QBPKDAKJSA-N 1 2 324.465 2.790 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000276191208 427004034 /nfs/dbraw/zinc/00/40/34/427004034.db2.gz XEIQKWKGQFGTAC-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000276191208 427004040 /nfs/dbraw/zinc/00/40/40/427004040.db2.gz XEIQKWKGQFGTAC-CVEARBPZSA-N 1 2 323.387 2.928 20 30 DFEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCCC(=O)N1 ZINC000328837835 427004755 /nfs/dbraw/zinc/00/47/55/427004755.db2.gz XXLHVXMWKSUSJJ-LLVKDONJSA-N 1 2 306.753 2.953 20 30 DFEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328868000 427007793 /nfs/dbraw/zinc/00/77/93/427007793.db2.gz ONOHHWBVSCYKIP-ILXRZTDVSA-N 1 2 304.438 2.950 20 30 DFEDLO Cc1cccc([C@@H](CNc2ccnc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000283407156 427009826 /nfs/dbraw/zinc/00/98/26/427009826.db2.gz APFUVWQRZUQVGR-LJQANCHMSA-N 1 2 322.412 2.747 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000328951226 427015163 /nfs/dbraw/zinc/01/51/63/427015163.db2.gz CLSLFUDIJQCPAD-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(C)c1 ZINC000328951226 427015166 /nfs/dbraw/zinc/01/51/66/427015166.db2.gz CLSLFUDIJQCPAD-LSDHHAIUSA-N 1 2 315.417 2.587 20 30 DFEDLO O=C(NCC1C2CC3CC(C2)CC1C3)N1CCn2cc[nH+]c2C1 ZINC000328957420 427015974 /nfs/dbraw/zinc/01/59/74/427015974.db2.gz NZVFJCXXNAHKCZ-UHFFFAOYSA-N 1 2 314.433 2.685 20 30 DFEDLO CCOCCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCCC1 ZINC000268469048 427026280 /nfs/dbraw/zinc/02/62/80/427026280.db2.gz XEYSYQLRAKIIIR-YBFXNURJSA-N 1 2 320.433 2.994 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCC[C@H]3[C@@H]3CCCO3)ccc2[nH+]1 ZINC000329021864 427027630 /nfs/dbraw/zinc/02/76/30/427027630.db2.gz MJCPIJUFOSLSNB-GJZGRUSLSA-N 1 2 314.389 2.832 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000329048590 427034454 /nfs/dbraw/zinc/03/44/54/427034454.db2.gz QMYCJIJUWLLUGN-QKPAOTATSA-N 1 2 317.433 2.662 20 30 DFEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276361744 427045996 /nfs/dbraw/zinc/04/59/96/427045996.db2.gz RXDHDCPYXHUMRZ-GDBMZVCRSA-N 1 2 303.406 2.525 20 30 DFEDLO C[C@H](C(=O)Nc1nncn1C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000329121543 427048202 /nfs/dbraw/zinc/04/82/02/427048202.db2.gz QNOOWHSYXMDITR-GFCCVEGCSA-N 1 2 311.389 2.648 20 30 DFEDLO C[C@H](C(=O)Nc1nncn1C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000329121543 427048211 /nfs/dbraw/zinc/04/82/11/427048211.db2.gz QNOOWHSYXMDITR-GFCCVEGCSA-N 1 2 311.389 2.648 20 30 DFEDLO CC(C)n1ncc2c1C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000329269318 427079081 /nfs/dbraw/zinc/07/90/81/427079081.db2.gz GXZJRIZEEZXHHG-ZDUSSCGKSA-N 1 2 301.394 2.634 20 30 DFEDLO Cc1ncsc1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329268136 427079101 /nfs/dbraw/zinc/07/91/01/427079101.db2.gz GKRKRPYGJWEZCI-ZDUSSCGKSA-N 1 2 309.435 2.551 20 30 DFEDLO Cc1ncsc1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329268136 427079110 /nfs/dbraw/zinc/07/91/10/427079110.db2.gz GKRKRPYGJWEZCI-ZDUSSCGKSA-N 1 2 309.435 2.551 20 30 DFEDLO CN(CC1CC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329287861 427081402 /nfs/dbraw/zinc/08/14/02/427081402.db2.gz PTMMAFLOLYBKDD-CYBMUJFWSA-N 1 2 304.438 2.751 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000337996282 427082134 /nfs/dbraw/zinc/08/21/34/427082134.db2.gz ULMJHLRKGINVSL-UHFFFAOYSA-N 1 2 320.396 2.533 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CC[C@H](F)C1)C2 ZINC000329402241 427106089 /nfs/dbraw/zinc/10/60/89/427106089.db2.gz ZGNNANCXBCUAGS-XQQFMLRXSA-N 1 2 322.428 2.890 20 30 DFEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CC[C@H](F)C1)C2 ZINC000329402241 427106094 /nfs/dbraw/zinc/10/60/94/427106094.db2.gz ZGNNANCXBCUAGS-XQQFMLRXSA-N 1 2 322.428 2.890 20 30 DFEDLO CC(C)c1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000292148782 427108702 /nfs/dbraw/zinc/10/87/02/427108702.db2.gz JDEVDXPOHRZZJO-UHFFFAOYSA-N 1 2 324.432 2.512 20 30 DFEDLO CC(C)c1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000292148782 427108707 /nfs/dbraw/zinc/10/87/07/427108707.db2.gz JDEVDXPOHRZZJO-UHFFFAOYSA-N 1 2 324.432 2.512 20 30 DFEDLO Cc1cn2cc(NC(=O)N3CCOCC4(CCC4)C3)ccc2[nH+]1 ZINC000329521596 427134422 /nfs/dbraw/zinc/13/44/22/427134422.db2.gz OZBRZEFCNFWAFC-UHFFFAOYSA-N 1 2 314.389 2.691 20 30 DFEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NC2CCCCCC2)cn1 ZINC000329523565 427134543 /nfs/dbraw/zinc/13/45/43/427134543.db2.gz RSKFKFIESUHQRL-UHFFFAOYSA-N 1 2 319.453 2.654 20 30 DFEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NC2CCCCCC2)cn1 ZINC000329523565 427134553 /nfs/dbraw/zinc/13/45/53/427134553.db2.gz RSKFKFIESUHQRL-UHFFFAOYSA-N 1 2 319.453 2.654 20 30 DFEDLO CCOC(=O)N1CCC(/[NH+]=C\c2cccc(OCC)c2O)CC1 ZINC000254931138 427228453 /nfs/dbraw/zinc/22/84/53/427228453.db2.gz SAHIZNUJAPYDRC-PDGQHHTCSA-N 1 2 320.389 2.831 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191089326 427251160 /nfs/dbraw/zinc/25/11/60/427251160.db2.gz GHVSOQIDLCYLBX-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191089326 427251165 /nfs/dbraw/zinc/25/11/65/427251165.db2.gz GHVSOQIDLCYLBX-LBPRGKRZSA-N 1 2 321.808 2.673 20 30 DFEDLO CC[C@]1(C)COCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000330507673 427253276 /nfs/dbraw/zinc/25/32/76/427253276.db2.gz IHTDROAHESNEMR-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO CC[C@]1(C)COCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000330507673 427253282 /nfs/dbraw/zinc/25/32/82/427253282.db2.gz IHTDROAHESNEMR-QGZVFWFLSA-N 1 2 312.373 2.609 20 30 DFEDLO CCN(C[C@H](C)C#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255475507 427271880 /nfs/dbraw/zinc/27/18/80/427271880.db2.gz XIQGZPOMBSNKGR-WUKHSURWSA-N 1 2 308.385 2.894 20 30 DFEDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000338351839 427272513 /nfs/dbraw/zinc/27/25/13/427272513.db2.gz CPERAEXKNMDGOU-NWDGAFQWSA-N 1 2 300.362 2.890 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000285575447 427277683 /nfs/dbraw/zinc/27/76/83/427277683.db2.gz GUSBICYGVZZZQQ-WBMJQRKESA-N 1 2 312.348 2.617 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000255576941 427277801 /nfs/dbraw/zinc/27/78/01/427277801.db2.gz HOTFCYHGVOZCES-KRHNWMDASA-N 1 2 318.417 2.702 20 30 DFEDLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000255576941 427277808 /nfs/dbraw/zinc/27/78/08/427277808.db2.gz HOTFCYHGVOZCES-KRHNWMDASA-N 1 2 318.417 2.702 20 30 DFEDLO Cc1cnc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000330624591 427278757 /nfs/dbraw/zinc/27/87/57/427278757.db2.gz GKJSFQGAGCGPOW-HNNXBMFYSA-N 1 2 310.401 2.734 20 30 DFEDLO COc1ccc(OCC[N@H+](C[C@H](C)C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000338381663 427287451 /nfs/dbraw/zinc/28/74/51/427287451.db2.gz OUVHGLDCJYEAOG-GFCCVEGCSA-N 1 2 319.361 2.606 20 30 DFEDLO COc1ccc(OCC[N@@H+](C[C@H](C)C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000338381663 427287458 /nfs/dbraw/zinc/28/74/58/427287458.db2.gz OUVHGLDCJYEAOG-GFCCVEGCSA-N 1 2 319.361 2.606 20 30 DFEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000277764025 427309176 /nfs/dbraw/zinc/30/91/76/427309176.db2.gz DFJKMBWBVXXZFN-UHFFFAOYSA-N 1 2 313.792 2.637 20 30 DFEDLO CC[C@H](C)[C@H]([NH2+]CCCOc1cccc(C#N)c1)C(=O)OC ZINC000183671068 427315305 /nfs/dbraw/zinc/31/53/05/427315305.db2.gz UNDHWRHSAVHLFT-BBRMVZONSA-N 1 2 304.390 2.504 20 30 DFEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191457198 427353018 /nfs/dbraw/zinc/35/30/18/427353018.db2.gz HIGOYIMUHQJILZ-ZDUSSCGKSA-N 1 2 305.422 2.839 20 30 DFEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191457198 427353023 /nfs/dbraw/zinc/35/30/23/427353023.db2.gz HIGOYIMUHQJILZ-ZDUSSCGKSA-N 1 2 305.422 2.839 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC#N)C[C@H](C)O1 ZINC000331133626 427353164 /nfs/dbraw/zinc/35/31/64/427353164.db2.gz JXQXUENKZFAQIZ-OKILXGFUSA-N 1 2 316.405 2.535 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC#N)C[C@H](C)O1 ZINC000331133626 427353170 /nfs/dbraw/zinc/35/31/70/427353170.db2.gz JXQXUENKZFAQIZ-OKILXGFUSA-N 1 2 316.405 2.535 20 30 DFEDLO Cc1[nH+]c2ccc(C(=O)NCC(C)(C)C[C@H](C)O)cc2n1C ZINC000331079681 427340469 /nfs/dbraw/zinc/34/04/69/427340469.db2.gz XDEJQIQVGBXHMX-NSHDSACASA-N 1 2 303.406 2.983 20 30 DFEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331106557 427345490 /nfs/dbraw/zinc/34/54/90/427345490.db2.gz GQHCTVZIJBROAS-OAHLLOKOSA-N 1 2 314.433 2.553 20 30 DFEDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000331106557 427345496 /nfs/dbraw/zinc/34/54/96/427345496.db2.gz GQHCTVZIJBROAS-OAHLLOKOSA-N 1 2 314.433 2.553 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331118648 427348278 /nfs/dbraw/zinc/34/82/78/427348278.db2.gz WNISJGBHRBODAS-HNNXBMFYSA-N 1 2 305.809 2.702 20 30 DFEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000331118648 427348282 /nfs/dbraw/zinc/34/82/82/427348282.db2.gz WNISJGBHRBODAS-HNNXBMFYSA-N 1 2 305.809 2.702 20 30 DFEDLO N#CC1(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000255756953 427292082 /nfs/dbraw/zinc/29/20/82/427292082.db2.gz SORHKTRFFLGEOW-YVMONPNESA-N 1 2 306.369 2.838 20 30 DFEDLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241767 427377466 /nfs/dbraw/zinc/37/74/66/427377466.db2.gz QITWYCOEOVPECB-GWCFXTLKSA-N 1 2 306.410 2.636 20 30 DFEDLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455429 427416663 /nfs/dbraw/zinc/41/66/63/427416663.db2.gz AJYFCCUVIUCGCK-KDOFPFPSSA-N 1 2 308.385 2.791 20 30 DFEDLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000331455429 427416671 /nfs/dbraw/zinc/41/66/71/427416671.db2.gz AJYFCCUVIUCGCK-KDOFPFPSSA-N 1 2 308.385 2.791 20 30 DFEDLO CC#CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000270546703 427363286 /nfs/dbraw/zinc/36/32/86/427363286.db2.gz ADEHBSFWTTYMNX-LBPRGKRZSA-N 1 2 306.435 2.520 20 30 DFEDLO CC#CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000270546703 427363290 /nfs/dbraw/zinc/36/32/90/427363290.db2.gz ADEHBSFWTTYMNX-LBPRGKRZSA-N 1 2 306.435 2.520 20 30 DFEDLO C#CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000270994946 427367455 /nfs/dbraw/zinc/36/74/55/427367455.db2.gz FGRSLUYMQWUCPR-ZDUSSCGKSA-N 1 2 310.191 2.618 20 30 DFEDLO C#CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000270994946 427367462 /nfs/dbraw/zinc/36/74/62/427367462.db2.gz FGRSLUYMQWUCPR-ZDUSSCGKSA-N 1 2 310.191 2.618 20 30 DFEDLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000331536496 427435275 /nfs/dbraw/zinc/43/52/75/427435275.db2.gz GNCUJGPXRKXQDF-LJQANCHMSA-N 1 2 324.428 2.965 20 30 DFEDLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000331536496 427435282 /nfs/dbraw/zinc/43/52/82/427435282.db2.gz GNCUJGPXRKXQDF-LJQANCHMSA-N 1 2 324.428 2.965 20 30 DFEDLO CCc1nnc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034797 427536172 /nfs/dbraw/zinc/53/61/72/427536172.db2.gz BTZQDUHHWVOVLN-IUODEOHRSA-N 1 2 312.373 2.638 20 30 DFEDLO CCc1nnc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)o1 ZINC000279034797 427536177 /nfs/dbraw/zinc/53/61/77/427536177.db2.gz BTZQDUHHWVOVLN-IUODEOHRSA-N 1 2 312.373 2.638 20 30 DFEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000263711781 427547668 /nfs/dbraw/zinc/54/76/68/427547668.db2.gz QRFFQUQJJFREOB-GFCCVEGCSA-N 1 2 314.393 2.521 20 30 DFEDLO C=CCn1c(N)nnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000192703258 427593631 /nfs/dbraw/zinc/59/36/31/427593631.db2.gz HMWCPWREDCDDHM-UHFFFAOYSA-N 1 2 320.809 2.640 20 30 DFEDLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202890 427595737 /nfs/dbraw/zinc/59/57/37/427595737.db2.gz AYWFCVIKAZVXDF-SJCJKPOMSA-N 1 2 319.405 2.596 20 30 DFEDLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000279202890 427595743 /nfs/dbraw/zinc/59/57/43/427595743.db2.gz AYWFCVIKAZVXDF-SJCJKPOMSA-N 1 2 319.405 2.596 20 30 DFEDLO COC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287504036 427627414 /nfs/dbraw/zinc/62/74/14/427627414.db2.gz YDTHJOWFFOUDIY-UHFFFAOYSA-N 1 2 309.207 2.932 20 30 DFEDLO CCC1(CC)C[N@H+](Cc2ccc(OC)c(C#N)c2)CC[S@]1=O ZINC000185273115 427627658 /nfs/dbraw/zinc/62/76/58/427627658.db2.gz GRVQLJSZVOWRLP-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO CCC1(CC)C[N@@H+](Cc2ccc(OC)c(C#N)c2)CC[S@]1=O ZINC000185273115 427627680 /nfs/dbraw/zinc/62/76/80/427627680.db2.gz GRVQLJSZVOWRLP-JOCHJYFZSA-N 1 2 320.458 2.690 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000279310651 427635555 /nfs/dbraw/zinc/63/55/55/427635555.db2.gz NBWSDTDVWFWLHH-UHFFFAOYSA-N 1 2 302.403 2.555 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000279310651 427635560 /nfs/dbraw/zinc/63/55/60/427635560.db2.gz NBWSDTDVWFWLHH-UHFFFAOYSA-N 1 2 302.403 2.555 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000333700772 427676742 /nfs/dbraw/zinc/67/67/42/427676742.db2.gz KKXWXSZIGPRDAR-CMPLNLGQSA-N 1 2 316.386 2.596 20 30 DFEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)s1 ZINC000333700772 427676748 /nfs/dbraw/zinc/67/67/48/427676748.db2.gz KKXWXSZIGPRDAR-CMPLNLGQSA-N 1 2 316.386 2.596 20 30 DFEDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C#N)s2)C2CCOCC2)n1 ZINC000343404941 272139091 /nfs/dbraw/zinc/13/90/91/272139091.db2.gz SGDNXZGXUYYRMD-AWEZNQCLSA-N 1 2 318.402 2.569 20 30 DFEDLO Cc1nnc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344112259 272266001 /nfs/dbraw/zinc/26/60/01/272266001.db2.gz LEJBRZHCPNXJTD-GFCCVEGCSA-N 1 2 316.430 2.928 20 30 DFEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000344112259 272266003 /nfs/dbraw/zinc/26/60/03/272266003.db2.gz LEJBRZHCPNXJTD-GFCCVEGCSA-N 1 2 316.430 2.928 20 30 DFEDLO C=CCN(CC=C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298713581 427683410 /nfs/dbraw/zinc/68/34/10/427683410.db2.gz GADDLGUEIKUDHZ-UHFFFAOYSA-N 1 2 314.433 2.956 20 30 DFEDLO N#Cc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)ccc1F ZINC000344371679 272322856 /nfs/dbraw/zinc/32/28/56/272322856.db2.gz TXBKLCUPWGOTEO-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)ccc1F ZINC000344371679 272322859 /nfs/dbraw/zinc/32/28/59/272322859.db2.gz TXBKLCUPWGOTEO-ZDUSSCGKSA-N 1 2 302.271 2.587 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC000339132248 427693838 /nfs/dbraw/zinc/69/38/38/427693838.db2.gz HEZSMLREDLCLCI-BPQIPLTHSA-N 1 2 319.832 2.960 20 30 DFEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccccc3Cl)[C@H]2C1 ZINC000339132248 427693843 /nfs/dbraw/zinc/69/38/43/427693843.db2.gz HEZSMLREDLCLCI-BPQIPLTHSA-N 1 2 319.832 2.960 20 30 DFEDLO CN(C)C(=O)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000194184054 427734258 /nfs/dbraw/zinc/73/42/58/427734258.db2.gz LFTFQTNFEVKQJB-KRWDZBQOSA-N 1 2 311.360 2.616 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339238420 427736945 /nfs/dbraw/zinc/73/69/45/427736945.db2.gz WDFIAOAJWYTIGJ-IRXDYDNUSA-N 1 2 315.417 2.581 20 30 DFEDLO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339238420 427736946 /nfs/dbraw/zinc/73/69/46/427736946.db2.gz WDFIAOAJWYTIGJ-IRXDYDNUSA-N 1 2 315.417 2.581 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000339250118 427741194 /nfs/dbraw/zinc/74/11/94/427741194.db2.gz XDCXYFTYDUAHMP-CZUORRHYSA-N 1 2 317.408 2.969 20 30 DFEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000339250118 427741199 /nfs/dbraw/zinc/74/11/99/427741199.db2.gz XDCXYFTYDUAHMP-CZUORRHYSA-N 1 2 317.408 2.969 20 30 DFEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCCCO1 ZINC000299051610 427743328 /nfs/dbraw/zinc/74/33/28/427743328.db2.gz LOXGTGUTFYRTSP-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCCCO1 ZINC000299051610 427743333 /nfs/dbraw/zinc/74/33/33/427743333.db2.gz LOXGTGUTFYRTSP-AWEZNQCLSA-N 1 2 321.808 2.651 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336809202 427753479 /nfs/dbraw/zinc/75/34/79/427753479.db2.gz DVECTQLBBQIUMH-NILFDRSVSA-N 1 2 321.218 2.523 20 30 DFEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336809202 427753480 /nfs/dbraw/zinc/75/34/80/427753480.db2.gz DVECTQLBBQIUMH-NILFDRSVSA-N 1 2 321.218 2.523 20 30 DFEDLO COc1cccc([C@H](Nc2ccc(C#N)nc2)c2[nH+]ccn2C)c1 ZINC000301508666 427800676 /nfs/dbraw/zinc/80/06/76/427800676.db2.gz DQENORWGCNOXMN-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO COc1ccc([C@H](Nc2ccc(C#N)nc2)c2[nH+]ccn2C)cc1 ZINC000301596136 427808417 /nfs/dbraw/zinc/80/84/17/427808417.db2.gz SFZDQPIYSLBRTL-KRWDZBQOSA-N 1 2 319.368 2.897 20 30 DFEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301623169 427810146 /nfs/dbraw/zinc/81/01/46/427810146.db2.gz FKHBRWRJVLGYRO-CQSZACIVSA-N 1 2 310.313 2.519 20 30 DFEDLO N#Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301636981 427812037 /nfs/dbraw/zinc/81/20/37/427812037.db2.gz LFZMTJKIQPZJAP-UHFFFAOYSA-N 1 2 320.312 2.659 20 30 DFEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000337190116 427812096 /nfs/dbraw/zinc/81/20/96/427812096.db2.gz RQAQBXBDBRADEZ-SQNIBIBYSA-N 1 2 309.413 2.545 20 30 DFEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000337190116 427812099 /nfs/dbraw/zinc/81/20/99/427812099.db2.gz RQAQBXBDBRADEZ-SQNIBIBYSA-N 1 2 309.413 2.545 20 30 DFEDLO Cc1cc(NCCCNC(=O)c2cccs2)c(C#N)c(C)[nH+]1 ZINC000301756064 427821436 /nfs/dbraw/zinc/82/14/36/427821436.db2.gz DJJUEZUPQRRYJO-UHFFFAOYSA-N 1 2 314.414 2.864 20 30 DFEDLO Cc1cc(N2CCN([C@H](C)C(F)(F)F)CC2)c(C#N)c(C)[nH+]1 ZINC000301776068 427823481 /nfs/dbraw/zinc/82/34/81/427823481.db2.gz LISSJFHSEKLPGG-GFCCVEGCSA-N 1 2 312.339 2.643 20 30 DFEDLO Cc1ccc(NC(=O)CN(C)c2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301804352 427826119 /nfs/dbraw/zinc/82/61/19/427826119.db2.gz XFNAZHASXLUHTJ-UHFFFAOYSA-N 1 2 308.385 2.953 20 30 DFEDLO Cc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1C#N ZINC000302727349 427858940 /nfs/dbraw/zinc/85/89/40/427858940.db2.gz SQFFCQPCBOCYGQ-KRWDZBQOSA-N 1 2 322.412 2.575 20 30 DFEDLO Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1C#N ZINC000302727349 427858946 /nfs/dbraw/zinc/85/89/46/427858946.db2.gz SQFFCQPCBOCYGQ-KRWDZBQOSA-N 1 2 322.412 2.575 20 30 DFEDLO N#Cc1ccc(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000355741928 427870970 /nfs/dbraw/zinc/87/09/70/427870970.db2.gz AURCXAOBYYNCFI-UHFFFAOYSA-N 1 2 315.336 2.771 20 30 DFEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000359518076 427884873 /nfs/dbraw/zinc/88/48/73/427884873.db2.gz XSANQGNYEXKDHC-HNNXBMFYSA-N 1 2 306.287 2.799 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416645 427896362 /nfs/dbraw/zinc/89/63/62/427896362.db2.gz RQXJUJUXTMDISM-CXAGYDPISA-N 1 2 308.372 2.695 20 30 DFEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337416645 427896366 /nfs/dbraw/zinc/89/63/66/427896366.db2.gz RQXJUJUXTMDISM-CXAGYDPISA-N 1 2 308.372 2.695 20 30 DFEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460970 427917329 /nfs/dbraw/zinc/91/73/29/427917329.db2.gz PGYYTHDRIFPXKJ-CRAIPNDOSA-N 1 2 317.408 2.626 20 30 DFEDLO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000337460970 427917335 /nfs/dbraw/zinc/91/73/35/427917335.db2.gz PGYYTHDRIFPXKJ-CRAIPNDOSA-N 1 2 317.408 2.626 20 30 DFEDLO C=C(C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)OCC ZINC000337588234 427970979 /nfs/dbraw/zinc/97/09/79/427970979.db2.gz LVZQCVZVKUBTIG-DLBZAZTESA-N 1 2 320.408 2.670 20 30 DFEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(=O)OC ZINC000340286787 427979893 /nfs/dbraw/zinc/97/98/93/427979893.db2.gz JKCDXMYGNBRCQA-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(=O)OC ZINC000340286787 427979901 /nfs/dbraw/zinc/97/99/01/427979901.db2.gz JKCDXMYGNBRCQA-UHFFFAOYSA-N 1 2 321.380 2.928 20 30 DFEDLO COc1cccc([C@@H](NCc2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000369674616 428032879 /nfs/dbraw/zinc/03/28/79/428032879.db2.gz WYHVFOGCKDXMHS-QGZVFWFLSA-N 1 2 322.368 2.773 20 30 DFEDLO Cc1nc(NCc2ccc[nH+]c2N(C)C)c(Cl)cc1C#N ZINC000359870635 428055230 /nfs/dbraw/zinc/05/52/30/428055230.db2.gz FOHHEQDBNURWCW-UHFFFAOYSA-N 1 2 301.781 2.988 20 30 DFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nncn1C ZINC000356187925 428059550 /nfs/dbraw/zinc/05/95/50/428059550.db2.gz MVHCRRUEXXVOBJ-SECBINFHSA-N 1 2 309.295 2.556 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C)(C#N)CC1)C2 ZINC000369814618 428069087 /nfs/dbraw/zinc/06/90/87/428069087.db2.gz RJWACCQEULAJNL-ZDUSSCGKSA-N 1 2 314.433 2.790 20 30 DFEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C)(C#N)CC1)CC2 ZINC000369814618 428069090 /nfs/dbraw/zinc/06/90/90/428069090.db2.gz RJWACCQEULAJNL-ZDUSSCGKSA-N 1 2 314.433 2.790 20 30 DFEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356279121 428103858 /nfs/dbraw/zinc/10/38/58/428103858.db2.gz KLMIVUCRTBCDNF-SECBINFHSA-N 1 2 300.280 2.570 20 30 DFEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356279121 428103863 /nfs/dbraw/zinc/10/38/63/428103863.db2.gz KLMIVUCRTBCDNF-SECBINFHSA-N 1 2 300.280 2.570 20 30 DFEDLO CC(C)(C#N)CCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369999240 428105145 /nfs/dbraw/zinc/10/51/45/428105145.db2.gz UJEMTWSHGSKBAP-UHFFFAOYSA-N 1 2 324.428 2.532 20 30 DFEDLO CC(C)(C#N)CCC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369999240 428105152 /nfs/dbraw/zinc/10/51/52/428105152.db2.gz UJEMTWSHGSKBAP-UHFFFAOYSA-N 1 2 324.428 2.532 20 30 DFEDLO CC(C)Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000359990160 428105139 /nfs/dbraw/zinc/10/51/39/428105139.db2.gz AKWQSSQGXKDZOT-IBGZPJMESA-N 1 2 324.428 2.984 20 30 DFEDLO CC(C)Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000359990160 428105144 /nfs/dbraw/zinc/10/51/44/428105144.db2.gz AKWQSSQGXKDZOT-IBGZPJMESA-N 1 2 324.428 2.984 20 30 DFEDLO CC(C)c1nc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)no1 ZINC000370002831 428106445 /nfs/dbraw/zinc/10/64/45/428106445.db2.gz TUUDAJARWVODJD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO CC(C)c1nc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)no1 ZINC000370002831 428106450 /nfs/dbraw/zinc/10/64/50/428106450.db2.gz TUUDAJARWVODJD-ZDUSSCGKSA-N 1 2 306.410 2.896 20 30 DFEDLO C[C@@H]1CN(c2ccc(Nc3ncccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000359995895 428108141 /nfs/dbraw/zinc/10/81/41/428108141.db2.gz UZNIOJVAXXZMFG-CHWSQXEVSA-N 1 2 309.373 2.705 20 30 DFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377507735 428143989 /nfs/dbraw/zinc/14/39/89/428143989.db2.gz ZWWKGXTVCXBDRL-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO COc1ccc(C#N)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377507735 428143992 /nfs/dbraw/zinc/14/39/92/428143992.db2.gz ZWWKGXTVCXBDRL-UHFFFAOYSA-N 1 2 322.364 2.940 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352620472 428174119 /nfs/dbraw/zinc/17/41/19/428174119.db2.gz DQOMLVCFIXGOJQ-UHFFFAOYSA-N 1 2 309.325 2.861 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352620472 428174124 /nfs/dbraw/zinc/17/41/24/428174124.db2.gz DQOMLVCFIXGOJQ-UHFFFAOYSA-N 1 2 309.325 2.861 20 30 DFEDLO C[C@@H]([NH2+]Cc1cnnn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370568423 428240777 /nfs/dbraw/zinc/24/07/77/428240777.db2.gz IQQRONKVEHVNDB-LLVKDONJSA-N 1 2 324.413 2.661 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000370472852 428218233 /nfs/dbraw/zinc/21/82/33/428218233.db2.gz WYIHCCRJXYJPEY-ZDUSSCGKSA-N 1 2 303.431 2.620 20 30 DFEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000370472852 428218238 /nfs/dbraw/zinc/21/82/38/428218238.db2.gz WYIHCCRJXYJPEY-ZDUSSCGKSA-N 1 2 303.431 2.620 20 30 DFEDLO C[C@@H](C(=O)NC[C@H]1CCCn2cc[nH+]c21)c1cccc(C#N)c1 ZINC000360366207 428269696 /nfs/dbraw/zinc/26/96/96/428269696.db2.gz RDTBYCXKEQNJKG-CZUORRHYSA-N 1 2 308.385 2.552 20 30 DFEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000341991739 428272371 /nfs/dbraw/zinc/27/23/71/428272371.db2.gz OSAYDMCFWWWVIC-MRXNPFEDSA-N 1 2 323.481 2.570 20 30 DFEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341990964 428272882 /nfs/dbraw/zinc/27/28/82/428272882.db2.gz LTNGGTABLAKAOK-AWEZNQCLSA-N 1 2 319.371 2.705 20 30 DFEDLO COc1cc2c(cc1C[NH2+]Cc1nc(C#N)cs1)O[C@H](C)C2 ZINC000352843199 428276978 /nfs/dbraw/zinc/27/69/78/428276978.db2.gz YMGJQOPKMSVOQL-SNVBAGLBSA-N 1 2 315.398 2.637 20 30 DFEDLO CN(C(=O)c1ccc(C#N)o1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352783894 428247826 /nfs/dbraw/zinc/24/78/26/428247826.db2.gz OUTVNWYIBMONJS-HNNXBMFYSA-N 1 2 306.325 2.736 20 30 DFEDLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C#N)c1 ZINC000360325254 428252702 /nfs/dbraw/zinc/25/27/02/428252702.db2.gz AEOAKSSCADMFGN-RDTXWAMCSA-N 1 2 321.380 2.737 20 30 DFEDLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C#N)c1 ZINC000360328568 428253403 /nfs/dbraw/zinc/25/34/03/428253403.db2.gz OJIPVHQMIQCGDR-RLFYNMQTSA-N 1 2 322.412 2.968 20 30 DFEDLO Cc1nnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c(C#N)c1C ZINC000341935866 428253531 /nfs/dbraw/zinc/25/35/31/428253531.db2.gz SPXFCJHBNYQTSC-UHFFFAOYSA-N 1 2 304.357 2.967 20 30 DFEDLO C=CCOc1ccccc1CNc1cccc(-n2cc[nH+]c2)n1 ZINC000360453948 428304437 /nfs/dbraw/zinc/30/44/37/428304437.db2.gz FNCTZQXCQDFYRQ-UHFFFAOYSA-N 1 2 306.369 3.444 20 30 DFEDLO CC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000346919803 428370012 /nfs/dbraw/zinc/37/00/12/428370012.db2.gz WEEIPQIEMRANCA-SNVBAGLBSA-N 1 2 323.278 2.576 20 30 DFEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000353053685 428370326 /nfs/dbraw/zinc/37/03/26/428370326.db2.gz ODVSHIZHWRUPCY-UHFFFAOYSA-N 1 2 322.343 2.786 20 30 DFEDLO C=CCn1cccc1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000346960842 428383940 /nfs/dbraw/zinc/38/39/40/428383940.db2.gz QEFJEDAVLIYBRB-UHFFFAOYSA-N 1 2 314.433 2.985 20 30 DFEDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000372341417 428433416 /nfs/dbraw/zinc/43/34/16/428433416.db2.gz BSVBGFMCTKYMNO-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000372341417 428433422 /nfs/dbraw/zinc/43/34/22/428433422.db2.gz BSVBGFMCTKYMNO-QGZVFWFLSA-N 1 2 309.369 2.535 20 30 DFEDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000372124016 428417167 /nfs/dbraw/zinc/41/71/67/428417167.db2.gz HQMAZGNJXKGFKD-CRAIPNDOSA-N 1 2 318.417 2.603 20 30 DFEDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000372124016 428417171 /nfs/dbraw/zinc/41/71/71/428417171.db2.gz HQMAZGNJXKGFKD-CRAIPNDOSA-N 1 2 318.417 2.603 20 30 DFEDLO C=CCN(CCOC)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000357181477 428422460 /nfs/dbraw/zinc/42/24/60/428422460.db2.gz VCZOGLZOAKYDNY-UHFFFAOYSA-N 1 2 324.852 2.823 20 30 DFEDLO C=CCN(CCOC)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000357181477 428422467 /nfs/dbraw/zinc/42/24/67/428422467.db2.gz VCZOGLZOAKYDNY-UHFFFAOYSA-N 1 2 324.852 2.823 20 30 DFEDLO N#C[C@@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2ccccc2o1 ZINC000342464504 428429047 /nfs/dbraw/zinc/42/90/47/428429047.db2.gz QTDOKHHVWYIMJT-ZDUSSCGKSA-N 1 2 302.293 2.966 20 30 DFEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2ccccc2o1 ZINC000342464504 428429055 /nfs/dbraw/zinc/42/90/55/428429055.db2.gz QTDOKHHVWYIMJT-ZDUSSCGKSA-N 1 2 302.293 2.966 20 30 DFEDLO C=CCCOCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000342967379 428494803 /nfs/dbraw/zinc/49/48/03/428494803.db2.gz UYFGLNKIFUXWJN-MRXNPFEDSA-N 1 2 305.422 2.637 20 30 DFEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017833 428512858 /nfs/dbraw/zinc/51/28/58/428512858.db2.gz GPJOUPWKPBDIAS-QRQCRPRQSA-N 1 2 320.458 2.712 20 30 DFEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000373017833 428512862 /nfs/dbraw/zinc/51/28/62/428512862.db2.gz GPJOUPWKPBDIAS-QRQCRPRQSA-N 1 2 320.458 2.712 20 30 DFEDLO C=CCCC1(c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000347254543 428514421 /nfs/dbraw/zinc/51/44/21/428514421.db2.gz XSZXRKZUROZWTK-ZIAGYGMSSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CCCC1(c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000347254543 428514427 /nfs/dbraw/zinc/51/44/27/428514427.db2.gz XSZXRKZUROZWTK-ZIAGYGMSSA-N 1 2 303.406 2.993 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000342861678 428475018 /nfs/dbraw/zinc/47/50/18/428475018.db2.gz VCWLQBUXXRCZOU-ZDUSSCGKSA-N 1 2 304.390 2.663 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000373456288 428581106 /nfs/dbraw/zinc/58/11/06/428581106.db2.gz YYTABIYOUWKRFC-RLCCDNCMSA-N 1 2 317.820 2.830 20 30 DFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000373456288 428581111 /nfs/dbraw/zinc/58/11/11/428581111.db2.gz YYTABIYOUWKRFC-RLCCDNCMSA-N 1 2 317.820 2.830 20 30 DFEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347466801 428584386 /nfs/dbraw/zinc/58/43/86/428584386.db2.gz DLHLFCWKHVJMTP-UKRRQHHQSA-N 1 2 304.438 2.639 20 30 DFEDLO C=CCC[C@@H](O)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347466801 428584388 /nfs/dbraw/zinc/58/43/88/428584388.db2.gz DLHLFCWKHVJMTP-UKRRQHHQSA-N 1 2 304.438 2.639 20 30 DFEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000361657990 428585054 /nfs/dbraw/zinc/58/50/54/428585054.db2.gz DYLXCBPPHCCIGC-YEZVWNJWSA-N 1 2 320.458 2.710 20 30 DFEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000361657990 428585060 /nfs/dbraw/zinc/58/50/60/428585060.db2.gz DYLXCBPPHCCIGC-YEZVWNJWSA-N 1 2 320.458 2.710 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358168603 428586254 /nfs/dbraw/zinc/58/62/54/428586254.db2.gz OMAQJEZHNBJBSA-GFCCVEGCSA-N 1 2 313.426 2.975 20 30 DFEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358168603 428586257 /nfs/dbraw/zinc/58/62/57/428586257.db2.gz OMAQJEZHNBJBSA-GFCCVEGCSA-N 1 2 313.426 2.975 20 30 DFEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357437826 428535167 /nfs/dbraw/zinc/53/51/67/428535167.db2.gz LGMFFSKOBMJZCV-LBPRGKRZSA-N 1 2 306.325 2.612 20 30 DFEDLO Cc1c(Cl)cnc(NCc2ccnc(-n3cc[nH+]c3)c2)c1C#N ZINC000373275872 428535890 /nfs/dbraw/zinc/53/58/90/428535890.db2.gz VVKBQGKKQISJHP-UHFFFAOYSA-N 1 2 324.775 3.108 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)C1CC1 ZINC000357550096 428546469 /nfs/dbraw/zinc/54/64/69/428546469.db2.gz HGMYICLFSOZQMB-UHFFFAOYSA-N 1 2 322.430 2.822 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)C1CC1 ZINC000357550096 428546473 /nfs/dbraw/zinc/54/64/73/428546473.db2.gz HGMYICLFSOZQMB-UHFFFAOYSA-N 1 2 322.430 2.822 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347333073 428549506 /nfs/dbraw/zinc/54/95/06/428549506.db2.gz AMFOYYYQRVURBN-YOEHRIQHSA-N 1 2 303.381 2.756 20 30 DFEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347333073 428549509 /nfs/dbraw/zinc/54/95/09/428549509.db2.gz AMFOYYYQRVURBN-YOEHRIQHSA-N 1 2 303.381 2.756 20 30 DFEDLO Cc1ccnc(NCCc2[nH+]c3ccc(F)cc3n2C)c1C#N ZINC000343517232 428551785 /nfs/dbraw/zinc/55/17/85/428551785.db2.gz RYWKXMBZNZKJLP-UHFFFAOYSA-N 1 2 309.348 2.942 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000347339393 428554294 /nfs/dbraw/zinc/55/42/94/428554294.db2.gz CKCIIWYMCNGIHW-SFHVURJKSA-N 1 2 317.408 2.984 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](C)(F)C2)c1 ZINC000347339393 428554300 /nfs/dbraw/zinc/55/43/00/428554300.db2.gz CKCIIWYMCNGIHW-SFHVURJKSA-N 1 2 317.408 2.984 20 30 DFEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000353519686 428576645 /nfs/dbraw/zinc/57/66/45/428576645.db2.gz ULBPFWAIRMLBTK-UHFFFAOYSA-N 1 2 323.440 2.949 20 30 DFEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000362045065 428613696 /nfs/dbraw/zinc/61/36/96/428613696.db2.gz FHGSZVZSHVOWTQ-CYBMUJFWSA-N 1 2 319.380 2.995 20 30 DFEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000362045065 428613701 /nfs/dbraw/zinc/61/37/01/428613701.db2.gz FHGSZVZSHVOWTQ-CYBMUJFWSA-N 1 2 319.380 2.995 20 30 DFEDLO COc1cc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)ccc1C#N ZINC000353631399 428632007 /nfs/dbraw/zinc/63/20/07/428632007.db2.gz QAXAEACSSNJNOY-KRWDZBQOSA-N 1 2 319.368 2.564 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1ccccc1 ZINC000348230351 428668117 /nfs/dbraw/zinc/66/81/17/428668117.db2.gz OAWXVYWAJYSRNA-LJQANCHMSA-N 1 2 316.445 2.795 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1ccccc1 ZINC000348230351 428668121 /nfs/dbraw/zinc/66/81/21/428668121.db2.gz OAWXVYWAJYSRNA-LJQANCHMSA-N 1 2 316.445 2.795 20 30 DFEDLO Cc1ccc2nc(C[NH2+]Cc3cnc4ccc(C#N)cn34)[nH]c2c1 ZINC000344746799 428700613 /nfs/dbraw/zinc/70/06/13/428700613.db2.gz ZOFYHWWAJJGPSI-UHFFFAOYSA-N 1 2 316.368 2.681 20 30 DFEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000416340565 428721412 /nfs/dbraw/zinc/72/14/12/428721412.db2.gz KNAXOXLBEYPDNV-MAUKXSAKSA-N 1 2 320.396 2.511 20 30 DFEDLO C=C(C)CCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000411033954 428726674 /nfs/dbraw/zinc/72/66/74/428726674.db2.gz KZJPUPMZMGAJQL-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO C=C(C)CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000411033954 428726677 /nfs/dbraw/zinc/72/66/77/428726677.db2.gz KZJPUPMZMGAJQL-UHFFFAOYSA-N 1 2 309.413 2.919 20 30 DFEDLO N#C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000374352120 428677727 /nfs/dbraw/zinc/67/77/27/428677727.db2.gz OITDFSBUHFYRFF-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO N#C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000374352120 428677729 /nfs/dbraw/zinc/67/77/29/428677729.db2.gz OITDFSBUHFYRFF-IFXJQAMLSA-N 1 2 321.355 2.671 20 30 DFEDLO C=CC[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000362297493 428693809 /nfs/dbraw/zinc/69/38/09/428693809.db2.gz XWLRXPKXCALNCP-HNNXBMFYSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000362297493 428693812 /nfs/dbraw/zinc/69/38/12/428693812.db2.gz XWLRXPKXCALNCP-HNNXBMFYSA-N 1 2 313.850 2.558 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)OC)C1CC1 ZINC000411191586 428755726 /nfs/dbraw/zinc/75/57/26/428755726.db2.gz JVXNMHKIRZPYRG-OAHLLOKOSA-N 1 2 304.346 2.534 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)OC)C1CC1 ZINC000411191586 428755728 /nfs/dbraw/zinc/75/57/28/428755728.db2.gz JVXNMHKIRZPYRG-OAHLLOKOSA-N 1 2 304.346 2.534 20 30 DFEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000411192319 428755940 /nfs/dbraw/zinc/75/59/40/428755940.db2.gz LGHFENIYAAERKB-HNNXBMFYSA-N 1 2 306.362 2.925 20 30 DFEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000411192319 428755945 /nfs/dbraw/zinc/75/59/45/428755945.db2.gz LGHFENIYAAERKB-HNNXBMFYSA-N 1 2 306.362 2.925 20 30 DFEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)ccc1C#N ZINC000362953459 428820797 /nfs/dbraw/zinc/82/07/97/428820797.db2.gz BHLISLXZWRCURL-UHFFFAOYSA-N 1 2 319.408 2.825 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000345296247 428833704 /nfs/dbraw/zinc/83/37/04/428833704.db2.gz FTLVJKKZVCRCNU-MRXNPFEDSA-N 1 2 321.384 2.532 20 30 DFEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2noc(CC)n2)C1 ZINC000363443181 428916626 /nfs/dbraw/zinc/91/66/26/428916626.db2.gz CXSLSNONYJXWQV-SNVBAGLBSA-N 1 2 300.200 2.720 20 30 DFEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2noc(CC)n2)C1 ZINC000363443181 428916632 /nfs/dbraw/zinc/91/66/32/428916632.db2.gz CXSLSNONYJXWQV-SNVBAGLBSA-N 1 2 300.200 2.720 20 30 DFEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000375616817 428925007 /nfs/dbraw/zinc/92/50/07/428925007.db2.gz JYLMDTKTGTZXKW-ZDUSSCGKSA-N 1 2 314.776 2.885 20 30 DFEDLO N#Cc1csc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000419223440 428928581 /nfs/dbraw/zinc/92/85/81/428928581.db2.gz CYILVVFZWMBHJW-QWHCGFSZSA-N 1 2 309.460 2.501 20 30 DFEDLO N#Cc1csc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000419223440 428928586 /nfs/dbraw/zinc/92/85/86/428928586.db2.gz CYILVVFZWMBHJW-QWHCGFSZSA-N 1 2 309.460 2.501 20 30 DFEDLO CC(C)(C)c1ccncc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419320017 428931438 /nfs/dbraw/zinc/93/14/38/428931438.db2.gz WYCAIPAIAFELAM-KRWDZBQOSA-N 1 2 322.412 2.567 20 30 DFEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000419333077 428931911 /nfs/dbraw/zinc/93/19/11/428931911.db2.gz LGWSCRCKFTZPOX-GXFFZTMASA-N 1 2 314.307 2.950 20 30 DFEDLO Cc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)c[nH+]1 ZINC000371732102 274739118 /nfs/dbraw/zinc/73/91/18/274739118.db2.gz GVPXMUIUMDOBPW-UHFFFAOYSA-N 1 2 323.356 2.949 20 30 DFEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000354306075 428961648 /nfs/dbraw/zinc/96/16/48/428961648.db2.gz UWEZZZNJDZJSGK-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000354306075 428961651 /nfs/dbraw/zinc/96/16/51/428961651.db2.gz UWEZZZNJDZJSGK-ZDUSSCGKSA-N 1 2 317.389 2.974 20 30 DFEDLO Cc1[nH+]c2cc(CNC(=O)[C@@]3(C#N)C[C@@H]3C)ccc2n1C1CC1 ZINC000412327513 429015807 /nfs/dbraw/zinc/01/58/07/429015807.db2.gz DBZGLAIIFVTNCF-BBATYDOGSA-N 1 2 308.385 2.846 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920794 429016867 /nfs/dbraw/zinc/01/68/67/429016867.db2.gz ONUSQUVCMSEYFF-IGCXYCKISA-N 1 2 320.820 2.980 20 30 DFEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)O2 ZINC000375920794 429016871 /nfs/dbraw/zinc/01/68/71/429016871.db2.gz ONUSQUVCMSEYFF-IGCXYCKISA-N 1 2 320.820 2.980 20 30 DFEDLO Cc1nc([C@](C)([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)no1 ZINC000433318869 429022331 /nfs/dbraw/zinc/02/23/31/429022331.db2.gz MUIHGLMGHQDTJM-MRXNPFEDSA-N 1 2 300.337 2.804 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421012693 428973239 /nfs/dbraw/zinc/97/32/39/428973239.db2.gz JWNSLOFVFFKTNM-KBPBESRZSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421012693 428973245 /nfs/dbraw/zinc/97/32/45/428973245.db2.gz JWNSLOFVFFKTNM-KBPBESRZSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421012698 428974468 /nfs/dbraw/zinc/97/44/68/428974468.db2.gz JWNSLOFVFFKTNM-ZIAGYGMSSA-N 1 2 320.458 2.748 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421012698 428974477 /nfs/dbraw/zinc/97/44/77/428974477.db2.gz JWNSLOFVFFKTNM-ZIAGYGMSSA-N 1 2 320.458 2.748 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000421032834 428978249 /nfs/dbraw/zinc/97/82/49/428978249.db2.gz XJWOSIGCHTUBSH-NWDGAFQWSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000421032834 428978254 /nfs/dbraw/zinc/97/82/54/428978254.db2.gz XJWOSIGCHTUBSH-NWDGAFQWSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000421032839 428978432 /nfs/dbraw/zinc/97/84/32/428978432.db2.gz XJWOSIGCHTUBSH-VXGBXAGGSA-N 1 2 321.446 2.814 20 30 DFEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000421032839 428978438 /nfs/dbraw/zinc/97/84/38/428978438.db2.gz XJWOSIGCHTUBSH-VXGBXAGGSA-N 1 2 321.446 2.814 20 30 DFEDLO CC[N@H+](Cc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1)C1CC1 ZINC000354462024 428988405 /nfs/dbraw/zinc/98/84/05/428988405.db2.gz GYRSBBUTVRBMBR-QGZVFWFLSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@@H+](Cc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1)C1CC1 ZINC000354462024 428988409 /nfs/dbraw/zinc/98/84/09/428988409.db2.gz GYRSBBUTVRBMBR-QGZVFWFLSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1)C1CC1 ZINC000354462024 428988414 /nfs/dbraw/zinc/98/84/14/428988414.db2.gz GYRSBBUTVRBMBR-QGZVFWFLSA-N 1 2 320.396 2.951 20 30 DFEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1)C1CC1 ZINC000354462024 428988421 /nfs/dbraw/zinc/98/84/21/428988421.db2.gz GYRSBBUTVRBMBR-QGZVFWFLSA-N 1 2 320.396 2.951 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836249 428993732 /nfs/dbraw/zinc/99/37/32/428993732.db2.gz LAZQWXXMLPNCDV-MRXNPFEDSA-N 1 2 301.390 2.569 20 30 DFEDLO CCN(CCC#N)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836249 428993739 /nfs/dbraw/zinc/99/37/39/428993739.db2.gz LAZQWXXMLPNCDV-MRXNPFEDSA-N 1 2 301.390 2.569 20 30 DFEDLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000412282739 429003820 /nfs/dbraw/zinc/00/38/20/429003820.db2.gz PWWAZPOGTPXWQL-XHSDSOJGSA-N 1 2 308.385 2.898 20 30 DFEDLO C=CCOCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000354767373 429007057 /nfs/dbraw/zinc/00/70/57/429007057.db2.gz IRFRKBLQFLCGLT-AWEZNQCLSA-N 1 2 322.836 2.748 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC(F)(F)F ZINC000355433186 429045811 /nfs/dbraw/zinc/04/58/11/429045811.db2.gz FVWYMZQFRVWIFY-NSHDSACASA-N 1 2 305.344 2.602 20 30 DFEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC(F)(F)F ZINC000355433186 429045812 /nfs/dbraw/zinc/04/58/12/429045812.db2.gz FVWYMZQFRVWIFY-NSHDSACASA-N 1 2 305.344 2.602 20 30 DFEDLO C=CCn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)nn1 ZINC000424175595 429104582 /nfs/dbraw/zinc/10/45/82/429104582.db2.gz VMAUFBQPHCZRJS-UHFFFAOYSA-N 1 2 312.295 2.653 20 30 DFEDLO C=CCn1cc(C[NH2+][C@H](COC)c2cccc(Cl)c2)nn1 ZINC000424297702 429120682 /nfs/dbraw/zinc/12/06/82/429120682.db2.gz RDYUVSXOPNXKJJ-OAHLLOKOSA-N 1 2 306.797 2.595 20 30 DFEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000424594190 429160735 /nfs/dbraw/zinc/16/07/35/429160735.db2.gz QJLYXOLKYGKFAJ-CQSZACIVSA-N 1 2 317.433 2.525 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)CCO2)n1 ZINC000487867911 429170149 /nfs/dbraw/zinc/17/01/49/429170149.db2.gz ITDIBGGEPXOAEZ-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)CCO2)n1 ZINC000487867911 429170151 /nfs/dbraw/zinc/17/01/51/429170151.db2.gz ITDIBGGEPXOAEZ-IBGZPJMESA-N 1 2 324.428 2.581 20 30 DFEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1C#N ZINC000487904242 429172253 /nfs/dbraw/zinc/17/22/53/429172253.db2.gz DJFNUUHFVPEAFO-KRWDZBQOSA-N 1 2 321.359 3.336 20 30 DFEDLO C=C(C)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000455308040 429184457 /nfs/dbraw/zinc/18/44/57/429184457.db2.gz JKBYRIZRFMMVIV-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO C=C(C)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000455308040 429184461 /nfs/dbraw/zinc/18/44/61/429184461.db2.gz JKBYRIZRFMMVIV-UHFFFAOYSA-N 1 2 322.478 2.635 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC2(C#N)CC2)C1 ZINC000495612510 429232229 /nfs/dbraw/zinc/23/22/29/429232229.db2.gz QUXUJEIMCLTNMW-KRWDZBQOSA-N 1 2 305.422 2.766 20 30 DFEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC2(C#N)CC2)C1 ZINC000495612510 429232233 /nfs/dbraw/zinc/23/22/33/429232233.db2.gz QUXUJEIMCLTNMW-KRWDZBQOSA-N 1 2 305.422 2.766 20 30 DFEDLO COC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C\c2cccc(OC)c2O)C1 ZINC000495533834 429219191 /nfs/dbraw/zinc/21/91/91/429219191.db2.gz OLMNFIUKLYSHKT-OYVKMAIOSA-N 1 2 320.389 2.687 20 30 DFEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000440898614 429227802 /nfs/dbraw/zinc/22/78/02/429227802.db2.gz YNDHSKYVYLVJIM-AWEZNQCLSA-N 1 2 323.396 2.993 20 30 DFEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000440898614 429227808 /nfs/dbraw/zinc/22/78/08/429227808.db2.gz YNDHSKYVYLVJIM-AWEZNQCLSA-N 1 2 323.396 2.993 20 30 DFEDLO Clc1ccccc1C#CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000441183061 429229815 /nfs/dbraw/zinc/22/98/15/429229815.db2.gz ZWOWICNKDYERLB-CVEARBPZSA-N 1 2 307.846 2.898 20 30 DFEDLO Clc1ccccc1C#CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000441183061 429229819 /nfs/dbraw/zinc/22/98/19/429229819.db2.gz ZWOWICNKDYERLB-CVEARBPZSA-N 1 2 307.846 2.898 20 30 DFEDLO Cc1cc(C#N)cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000456011690 429231186 /nfs/dbraw/zinc/23/11/86/429231186.db2.gz VFFOOJHGLNWVEG-UHFFFAOYSA-N 1 2 321.384 2.616 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196860 429245244 /nfs/dbraw/zinc/24/52/44/429245244.db2.gz VLNINEUVFMHXSC-JYJNAYRXSA-N 1 2 308.385 2.740 20 30 DFEDLO Cc1cc(NCc2cc(Cl)c3c(c2)OCCO3)c(C#N)c[nH+]1 ZINC000425209132 429246717 /nfs/dbraw/zinc/24/67/17/429246717.db2.gz QOXONLZBRNPDEM-UHFFFAOYSA-N 1 2 315.760 2.720 20 30 DFEDLO COc1ccc(C[C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425234560 429250294 /nfs/dbraw/zinc/25/02/94/429250294.db2.gz XUKYCSHVVXVUDP-ZDUSSCGKSA-N 1 2 311.385 2.744 20 30 DFEDLO COc1ccc([C@H](OC)[C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425246892 429251288 /nfs/dbraw/zinc/25/12/88/429251288.db2.gz MQOWIOYVNAQFCB-FZKQIMNGSA-N 1 2 311.385 2.880 20 30 DFEDLO COCCOc1cc(C)ccc1CNc1cc(C)[nH+]cc1C#N ZINC000425245883 429251687 /nfs/dbraw/zinc/25/16/87/429251687.db2.gz XFVDDELKWRXKAX-UHFFFAOYSA-N 1 2 311.385 2.629 20 30 DFEDLO CC(C)(CC#N)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425317817 429261828 /nfs/dbraw/zinc/26/18/28/429261828.db2.gz SHMZGVLJXVPCNY-OAHLLOKOSA-N 1 2 310.401 2.988 20 30 DFEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000444743700 429277028 /nfs/dbraw/zinc/27/70/28/429277028.db2.gz ZZFKLEFEEAJLQK-KRWDZBQOSA-N 1 2 305.397 2.620 20 30 DFEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000444743700 429277032 /nfs/dbraw/zinc/27/70/32/429277032.db2.gz ZZFKLEFEEAJLQK-KRWDZBQOSA-N 1 2 305.397 2.620 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425361080 429277514 /nfs/dbraw/zinc/27/75/14/429277514.db2.gz XELLTNFORBWVDA-CZUORRHYSA-N 1 2 317.433 2.839 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(=O)OC(C)(C)C ZINC000425361080 429277516 /nfs/dbraw/zinc/27/75/16/429277516.db2.gz XELLTNFORBWVDA-CZUORRHYSA-N 1 2 317.433 2.839 20 30 DFEDLO Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000497027202 429318337 /nfs/dbraw/zinc/31/83/37/429318337.db2.gz RJOHEDJVYKQFKC-STQMWFEESA-N 1 2 318.421 2.787 20 30 DFEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCCC1 ZINC000448919171 429322079 /nfs/dbraw/zinc/32/20/79/429322079.db2.gz YMQNEXSSAOAKIJ-HOTGVXAUSA-N 1 2 308.466 2.738 20 30 DFEDLO C#CC[N@@H+](Cc1oncc1C(=O)OC)[C@H]1CCc2ccccc21 ZINC000491071588 429322666 /nfs/dbraw/zinc/32/26/66/429322666.db2.gz LTGWJYXPAKZXRE-INIZCTEOSA-N 1 2 310.353 2.584 20 30 DFEDLO C#CC[N@H+](Cc1oncc1C(=O)OC)[C@H]1CCc2ccccc21 ZINC000491071588 429322671 /nfs/dbraw/zinc/32/26/71/429322671.db2.gz LTGWJYXPAKZXRE-INIZCTEOSA-N 1 2 310.353 2.584 20 30 DFEDLO CC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](C)C#N ZINC000449020430 429323336 /nfs/dbraw/zinc/32/33/36/429323336.db2.gz ZEQAGTAQITVTNX-KGLIPLIRSA-N 1 2 308.447 2.675 20 30 DFEDLO CC[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](C)C#N ZINC000449020430 429323338 /nfs/dbraw/zinc/32/33/38/429323338.db2.gz ZEQAGTAQITVTNX-KGLIPLIRSA-N 1 2 308.447 2.675 20 30 DFEDLO COc1nccnc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000449050416 429323813 /nfs/dbraw/zinc/32/38/13/429323813.db2.gz UMNRRDDLRODPIP-WBVHZDCISA-N 1 2 308.385 2.757 20 30 DFEDLO COc1nccnc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000449050416 429323817 /nfs/dbraw/zinc/32/38/17/429323817.db2.gz UMNRRDDLRODPIP-WBVHZDCISA-N 1 2 308.385 2.757 20 30 DFEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000491253414 429340345 /nfs/dbraw/zinc/34/03/45/429340345.db2.gz NQHRMVQSXHAWTI-CQSZACIVSA-N 1 2 322.412 2.642 20 30 DFEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000491253414 429340349 /nfs/dbraw/zinc/34/03/49/429340349.db2.gz NQHRMVQSXHAWTI-CQSZACIVSA-N 1 2 322.412 2.642 20 30 DFEDLO C#C[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccc(F)cc1 ZINC000491297091 429345080 /nfs/dbraw/zinc/34/50/80/429345080.db2.gz ONDAQXKRXHATEW-IUODEOHRSA-N 1 2 314.364 2.777 20 30 DFEDLO C#C[C@@H](NC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000491298074 429345600 /nfs/dbraw/zinc/34/56/00/429345600.db2.gz TUHCBLGIDLEXCL-HZPDHXFCSA-N 1 2 310.401 2.798 20 30 DFEDLO C=CCC[C@H](CO)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000456762811 429345843 /nfs/dbraw/zinc/34/58/43/429345843.db2.gz GLDAMDFJUVZWPC-OAHLLOKOSA-N 1 2 324.852 2.605 20 30 DFEDLO C=CCC[C@H](CO)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000456762811 429345847 /nfs/dbraw/zinc/34/58/47/429345847.db2.gz GLDAMDFJUVZWPC-OAHLLOKOSA-N 1 2 324.852 2.605 20 30 DFEDLO C#C[C@@H](CCC)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000491303806 429346442 /nfs/dbraw/zinc/34/64/42/429346442.db2.gz CJFLSNIEJAVJIF-KRWDZBQOSA-N 1 2 324.428 2.727 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446759454 429300754 /nfs/dbraw/zinc/30/07/54/429300754.db2.gz CEMFUUPDPNNTIN-NJAFHUGGSA-N 1 2 315.388 2.983 20 30 DFEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446759454 429300758 /nfs/dbraw/zinc/30/07/58/429300758.db2.gz CEMFUUPDPNNTIN-NJAFHUGGSA-N 1 2 315.388 2.983 20 30 DFEDLO C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)c2[nH+]ccn21 ZINC000456427575 429304225 /nfs/dbraw/zinc/30/42/25/429304225.db2.gz RBQMLGSIBOKDKL-FZMZJTMJSA-N 1 2 312.398 2.935 20 30 DFEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000490761173 429304241 /nfs/dbraw/zinc/30/42/41/429304241.db2.gz RRQRAKKYEDRCJT-LJQANCHMSA-N 1 2 322.433 2.522 20 30 DFEDLO CCc1cc(N)nc(SCc2cn3ccccc3c2C#N)[nH+]1 ZINC000447775544 429306004 /nfs/dbraw/zinc/30/60/04/429306004.db2.gz FELAZSSQAYATNL-UHFFFAOYSA-N 1 2 309.398 3.038 20 30 DFEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000490852330 429308839 /nfs/dbraw/zinc/30/88/39/429308839.db2.gz MFFJGBBEMXPKHW-UHFFFAOYSA-N 1 2 313.426 2.779 20 30 DFEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000490852330 429308843 /nfs/dbraw/zinc/30/88/43/429308843.db2.gz MFFJGBBEMXPKHW-UHFFFAOYSA-N 1 2 313.426 2.779 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772788 429317134 /nfs/dbraw/zinc/31/71/34/429317134.db2.gz UQKUGVYYRSLZRT-XHBSWPGZSA-N 1 2 318.446 2.863 20 30 DFEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000448772788 429317138 /nfs/dbraw/zinc/31/71/38/429317138.db2.gz UQKUGVYYRSLZRT-XHBSWPGZSA-N 1 2 318.446 2.863 20 30 DFEDLO C#CC[N@@H+](CC#CC)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000491703286 429394107 /nfs/dbraw/zinc/39/41/07/429394107.db2.gz AOFJXRQRHHZVNQ-UHFFFAOYSA-N 1 2 319.430 2.949 20 30 DFEDLO C#CC[N@H+](CC#CC)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000491703286 429394111 /nfs/dbraw/zinc/39/41/11/429394111.db2.gz AOFJXRQRHHZVNQ-UHFFFAOYSA-N 1 2 319.430 2.949 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491705009 429394629 /nfs/dbraw/zinc/39/46/29/429394629.db2.gz IJDISMKMWFOCGQ-NHYWBVRUSA-N 1 2 301.777 2.732 20 30 DFEDLO C#C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491705009 429394633 /nfs/dbraw/zinc/39/46/33/429394633.db2.gz IJDISMKMWFOCGQ-NHYWBVRUSA-N 1 2 301.777 2.732 20 30 DFEDLO Cc1cccn2cc(CNC(=O)/C=C\c3ccc(C#N)cc3)[nH+]c12 ZINC000491730443 429398907 /nfs/dbraw/zinc/39/89/07/429398907.db2.gz FMLKCMPXNOUIGL-HJWRWDBZSA-N 1 2 316.364 2.844 20 30 DFEDLO C#C[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(Cl)cc1 ZINC000491474295 429363560 /nfs/dbraw/zinc/36/35/60/429363560.db2.gz LNCOXARYERJFQB-MRXNPFEDSA-N 1 2 303.793 2.647 20 30 DFEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000491494463 429365882 /nfs/dbraw/zinc/36/58/82/429365882.db2.gz CRPGWTGVPLFVGV-UHFFFAOYSA-N 1 2 309.373 2.522 20 30 DFEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000491494463 429365886 /nfs/dbraw/zinc/36/58/86/429365886.db2.gz CRPGWTGVPLFVGV-UHFFFAOYSA-N 1 2 309.373 2.522 20 30 DFEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426135116 429368477 /nfs/dbraw/zinc/36/84/77/429368477.db2.gz ZQPDPRQBRADEKS-JTQLQIEISA-N 1 2 303.753 2.618 20 30 DFEDLO N#CC1(c2ccccn2)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000515612199 429378153 /nfs/dbraw/zinc/37/81/53/429378153.db2.gz RHSOEYPVZWCANB-UHFFFAOYSA-N 1 2 320.400 2.508 20 30 DFEDLO N#CC1(c2ccccn2)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000515612199 429378157 /nfs/dbraw/zinc/37/81/57/429378157.db2.gz RHSOEYPVZWCANB-UHFFFAOYSA-N 1 2 320.400 2.508 20 30 DFEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000491617104 429378778 /nfs/dbraw/zinc/37/87/78/429378778.db2.gz BJKIEPQKJWPDON-ZDUSSCGKSA-N 1 2 303.793 2.540 20 30 DFEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000491617104 429378782 /nfs/dbraw/zinc/37/87/82/429378782.db2.gz BJKIEPQKJWPDON-ZDUSSCGKSA-N 1 2 303.793 2.540 20 30 DFEDLO C#C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(C)(C)C ZINC000491621625 429379514 /nfs/dbraw/zinc/37/95/14/429379514.db2.gz OINIJPZXDSURBZ-GHMZBOCLSA-N 1 2 315.339 2.620 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000366401257 429448758 /nfs/dbraw/zinc/44/87/58/429448758.db2.gz INKPAXPOWJUSCG-SJORKVTESA-N 1 2 308.385 2.641 20 30 DFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366401257 429448763 /nfs/dbraw/zinc/44/87/63/429448763.db2.gz INKPAXPOWJUSCG-SJORKVTESA-N 1 2 308.385 2.641 20 30 DFEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449573345 429452435 /nfs/dbraw/zinc/45/24/35/429452435.db2.gz RMLLPZAXGNWLJE-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000449573345 429452437 /nfs/dbraw/zinc/45/24/37/429452437.db2.gz RMLLPZAXGNWLJE-NRFANRHFSA-N 1 2 307.459 2.984 20 30 DFEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@]1(C#N)CC13CCCC3)CCC2 ZINC000519521529 429461991 /nfs/dbraw/zinc/46/19/91/429461991.db2.gz UAYORFHCOQQQJQ-KBXCAEBGSA-N 1 2 312.417 2.659 20 30 DFEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000491804134 429411640 /nfs/dbraw/zinc/41/16/40/429411640.db2.gz KJEZBLWFSVLUNG-ZIAGYGMSSA-N 1 2 316.449 2.597 20 30 DFEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491800655 429412497 /nfs/dbraw/zinc/41/24/97/429412497.db2.gz ADCKOZKOOCBIAT-UHFFFAOYSA-N 1 2 318.380 2.679 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1F ZINC000491814138 429414731 /nfs/dbraw/zinc/41/47/31/429414731.db2.gz IYIPDMORRQZFRH-MEBBXXQBSA-N 1 2 319.767 2.872 20 30 DFEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1F ZINC000491814138 429414737 /nfs/dbraw/zinc/41/47/37/429414737.db2.gz IYIPDMORRQZFRH-MEBBXXQBSA-N 1 2 319.767 2.872 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000518371374 429418836 /nfs/dbraw/zinc/41/88/36/429418836.db2.gz STTWFRGXPPFAHL-ZIAGYGMSSA-N 1 2 313.401 2.529 20 30 DFEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000518371374 429418841 /nfs/dbraw/zinc/41/88/41/429418841.db2.gz STTWFRGXPPFAHL-ZIAGYGMSSA-N 1 2 313.401 2.529 20 30 DFEDLO CCCn1ncnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000366175660 429429385 /nfs/dbraw/zinc/42/93/85/429429385.db2.gz YZVUCEHTCSYJLT-UHFFFAOYSA-N 1 2 307.401 2.849 20 30 DFEDLO CCCn1ncnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000366175660 429429389 /nfs/dbraw/zinc/42/93/89/429429389.db2.gz YZVUCEHTCSYJLT-UHFFFAOYSA-N 1 2 307.401 2.849 20 30 DFEDLO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1OC ZINC000449480877 429431277 /nfs/dbraw/zinc/43/12/77/429431277.db2.gz PNVGKISRLVLTNY-UHFFFAOYSA-N 1 2 321.808 2.937 20 30 DFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000449661510 429471544 /nfs/dbraw/zinc/47/15/44/429471544.db2.gz CFUCEGKOLNCVRK-ZDUSSCGKSA-N 1 2 311.351 2.874 20 30 DFEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000449661510 429471546 /nfs/dbraw/zinc/47/15/46/429471546.db2.gz CFUCEGKOLNCVRK-ZDUSSCGKSA-N 1 2 311.351 2.874 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)c(C#N)cn2)c1C ZINC000457520610 429479840 /nfs/dbraw/zinc/47/98/40/429479840.db2.gz RQRWZVZVXSOMEE-UHFFFAOYSA-N 1 2 324.384 2.554 20 30 DFEDLO CC1(C)CCCc2cc(C#N)c(N3CCn4cc[nH+]c4C3)nc21 ZINC000428103065 429490760 /nfs/dbraw/zinc/49/07/60/429490760.db2.gz MWEAXFUGABLXEP-UHFFFAOYSA-N 1 2 307.401 2.784 20 30 DFEDLO COc1ccccc1C[N@H+](CCO)Cc1cccc(F)c1C#N ZINC000428238243 429504343 /nfs/dbraw/zinc/50/43/43/429504343.db2.gz OHFHWOHYSLBKGZ-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO COc1ccccc1C[N@@H+](CCO)Cc1cccc(F)c1C#N ZINC000428238243 429504345 /nfs/dbraw/zinc/50/43/45/429504345.db2.gz OHFHWOHYSLBKGZ-UHFFFAOYSA-N 1 2 314.360 2.700 20 30 DFEDLO N#Cc1nccc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000521643987 429560891 /nfs/dbraw/zinc/56/08/91/429560891.db2.gz UWBSLCXUWVVEIR-CHWSQXEVSA-N 1 2 318.384 2.785 20 30 DFEDLO CC[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1[nH]cc[nH+]1 ZINC000492619011 429579580 /nfs/dbraw/zinc/57/95/80/429579580.db2.gz GZFUPLLKBOFCRT-PXTSUWAFSA-N 1 2 310.357 2.593 20 30 DFEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000492852841 429629783 /nfs/dbraw/zinc/62/97/83/429629783.db2.gz ACMDYAXXHSPCFF-MUBLQREKSA-N 1 2 320.274 2.823 20 30 DFEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1nc2c(s1)CCCC2 ZINC000492901457 429640164 /nfs/dbraw/zinc/64/01/64/429640164.db2.gz PIGQYJBUDRCDBZ-BQYQJAHWSA-N 1 2 314.414 2.977 20 30 DFEDLO Cc1nnc(NCc2cccc(-c3[nH+]ccn3C)c2)c(C#N)c1C ZINC000367414119 429641778 /nfs/dbraw/zinc/64/17/78/429641778.db2.gz ZMPRFUBGUYBKQK-UHFFFAOYSA-N 1 2 318.384 2.978 20 30 DFEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)C1CC1 ZINC000492927347 429647002 /nfs/dbraw/zinc/64/70/02/429647002.db2.gz RPNOASMSRJTLEJ-SKHCZCESSA-N 1 2 306.369 2.572 20 30 DFEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CCC1 ZINC000450281425 429593244 /nfs/dbraw/zinc/59/32/44/429593244.db2.gz CBGJNQHOXINWPN-UHFFFAOYSA-N 1 2 303.431 2.590 20 30 DFEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CCC1 ZINC000450281425 429593248 /nfs/dbraw/zinc/59/32/48/429593248.db2.gz CBGJNQHOXINWPN-UHFFFAOYSA-N 1 2 303.431 2.590 20 30 DFEDLO COC(=O)c1coc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000450306158 429596607 /nfs/dbraw/zinc/59/66/07/429596607.db2.gz YHSPECJWWJRQGX-UHFFFAOYSA-N 1 2 313.357 2.743 20 30 DFEDLO COC(=O)c1coc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000450306158 429596609 /nfs/dbraw/zinc/59/66/09/429596609.db2.gz YHSPECJWWJRQGX-UHFFFAOYSA-N 1 2 313.357 2.743 20 30 DFEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498899 429699887 /nfs/dbraw/zinc/69/98/87/429699887.db2.gz AFBLFSADPSFXIP-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459498899 429699893 /nfs/dbraw/zinc/69/98/93/429699893.db2.gz AFBLFSADPSFXIP-CVEARBPZSA-N 1 2 315.373 2.856 20 30 DFEDLO CCOc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1O ZINC000459608833 429700603 /nfs/dbraw/zinc/70/06/03/429700603.db2.gz IKCWMRVWJQWTNZ-UHFFFAOYSA-N 1 2 324.380 2.926 20 30 DFEDLO COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1OC ZINC000459608437 429700972 /nfs/dbraw/zinc/70/09/72/429700972.db2.gz HZEQCWKXEBLJBZ-UHFFFAOYSA-N 1 2 324.380 2.839 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507573 429722621 /nfs/dbraw/zinc/72/26/21/429722621.db2.gz MDGORRMRFYXVNM-XJKSGUPXSA-N 1 2 305.805 2.965 20 30 DFEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000481507573 429722627 /nfs/dbraw/zinc/72/26/27/429722627.db2.gz MDGORRMRFYXVNM-XJKSGUPXSA-N 1 2 305.805 2.965 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C)C(=O)OC ZINC000482451027 429725525 /nfs/dbraw/zinc/72/55/25/429725525.db2.gz KDJVMLGEMYVHGC-DZUCGIPZSA-N 1 2 303.402 2.512 20 30 DFEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000483420157 429733893 /nfs/dbraw/zinc/73/38/93/429733893.db2.gz KDTSBPIKEXGPJB-UHFFFAOYSA-N 1 2 319.836 2.581 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000484065492 429741128 /nfs/dbraw/zinc/74/11/28/429741128.db2.gz DXFNDDNGEGLRNU-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000484065492 429741131 /nfs/dbraw/zinc/74/11/31/429741131.db2.gz DXFNDDNGEGLRNU-UHFFFAOYSA-N 1 2 305.377 2.883 20 30 DFEDLO C[C@]1(F)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000451115453 429770811 /nfs/dbraw/zinc/77/08/11/429770811.db2.gz ONGHINBMTCHYEC-INIZCTEOSA-N 1 2 300.337 2.932 20 30 DFEDLO C[C@]1(F)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000451115453 429770814 /nfs/dbraw/zinc/77/08/14/429770814.db2.gz ONGHINBMTCHYEC-INIZCTEOSA-N 1 2 300.337 2.932 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](F)C2)c1C ZINC000451189709 429783657 /nfs/dbraw/zinc/78/36/57/429783657.db2.gz PKGPUESRBXNHAO-OAHLLOKOSA-N 1 2 303.381 2.594 20 30 DFEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](F)C2)c1C ZINC000451189709 429783662 /nfs/dbraw/zinc/78/36/62/429783662.db2.gz PKGPUESRBXNHAO-OAHLLOKOSA-N 1 2 303.381 2.594 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](F)C2)c1 ZINC000451196942 429786413 /nfs/dbraw/zinc/78/64/13/429786413.db2.gz NRXUUBZUTGOOCP-HOTGVXAUSA-N 1 2 317.408 2.982 20 30 DFEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](F)C2)c1 ZINC000451196942 429786416 /nfs/dbraw/zinc/78/64/16/429786416.db2.gz NRXUUBZUTGOOCP-HOTGVXAUSA-N 1 2 317.408 2.982 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000431864257 429788381 /nfs/dbraw/zinc/78/83/81/429788381.db2.gz WBOWJZVKZVPXHU-GFCCVEGCSA-N 1 2 310.357 2.522 20 30 DFEDLO CC[C@H](CC#N)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368567928 429868802 /nfs/dbraw/zinc/86/88/02/429868802.db2.gz OTQVULDHCXWZAH-CGTJXYLNSA-N 1 2 301.434 2.558 20 30 DFEDLO CC[C@H](CC#N)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368567928 429868805 /nfs/dbraw/zinc/86/88/05/429868805.db2.gz OTQVULDHCXWZAH-CGTJXYLNSA-N 1 2 301.434 2.558 20 30 DFEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000432734096 429837239 /nfs/dbraw/zinc/83/72/39/429837239.db2.gz ODAXJGSGJIRLQP-UHFFFAOYSA-N 1 2 316.748 2.937 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000528072070 429843148 /nfs/dbraw/zinc/84/31/48/429843148.db2.gz BDTKQJSTETXAPR-CQSZACIVSA-N 1 2 304.438 2.700 20 30 DFEDLO C=CC(C)(C)CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000528072070 429843152 /nfs/dbraw/zinc/84/31/52/429843152.db2.gz BDTKQJSTETXAPR-CQSZACIVSA-N 1 2 304.438 2.700 20 30 DFEDLO CC(C)OC(=O)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)C ZINC000451586618 429858352 /nfs/dbraw/zinc/85/83/52/429858352.db2.gz GTQQZLKWJAAYOI-KRWDZBQOSA-N 1 2 318.417 2.893 20 30 DFEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(F)F ZINC000494218211 429860688 /nfs/dbraw/zinc/86/06/88/429860688.db2.gz APQOXAAQXAPHTO-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(F)F ZINC000494218211 429860691 /nfs/dbraw/zinc/86/06/91/429860691.db2.gz APQOXAAQXAPHTO-GFCCVEGCSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(F)F ZINC000494212280 429860702 /nfs/dbraw/zinc/86/07/02/429860702.db2.gz LIXRHHOVGJGUPR-LBPRGKRZSA-N 1 2 307.344 2.864 20 30 DFEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(F)F ZINC000494212280 429860706 /nfs/dbraw/zinc/86/07/06/429860706.db2.gz LIXRHHOVGJGUPR-LBPRGKRZSA-N 1 2 307.344 2.864 20 30 DFEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1OC)CCO2 ZINC000451643536 429867062 /nfs/dbraw/zinc/86/70/62/429867062.db2.gz PNJYNVBKNRCYPS-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1OC)CCO2 ZINC000451643536 429867064 /nfs/dbraw/zinc/86/70/64/429867064.db2.gz PNJYNVBKNRCYPS-UHFFFAOYSA-N 1 2 324.380 2.970 20 30 DFEDLO COc1ccc[nH+]c1N1CCCN(c2ccccc2C#N)CC1 ZINC000527854027 429810390 /nfs/dbraw/zinc/81/03/90/429810390.db2.gz VQDVECFNTWPZNM-UHFFFAOYSA-N 1 2 308.385 2.679 20 30 DFEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000528372102 429881246 /nfs/dbraw/zinc/88/12/46/429881246.db2.gz NPMSIWLEIVVXLJ-BBRMVZONSA-N 1 2 320.820 2.768 20 30 DFEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000528372102 429881249 /nfs/dbraw/zinc/88/12/49/429881249.db2.gz NPMSIWLEIVVXLJ-BBRMVZONSA-N 1 2 320.820 2.768 20 30 DFEDLO C#CC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000368641342 429881373 /nfs/dbraw/zinc/88/13/73/429881373.db2.gz FXFXDZDHZUPUQV-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C#CC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000368641342 429881376 /nfs/dbraw/zinc/88/13/76/429881376.db2.gz FXFXDZDHZUPUQV-CQSZACIVSA-N 1 2 321.424 2.754 20 30 DFEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(C)ccc3s2)C1=O ZINC000528498514 429893740 /nfs/dbraw/zinc/89/37/40/429893740.db2.gz WNIFLQGPYASFMU-CQSZACIVSA-N 1 2 315.442 2.823 20 30 DFEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(C)ccc3s2)C1=O ZINC000528498514 429893742 /nfs/dbraw/zinc/89/37/42/429893742.db2.gz WNIFLQGPYASFMU-CQSZACIVSA-N 1 2 315.442 2.823 20 30 DFEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)n2c1 ZINC000368825627 429896815 /nfs/dbraw/zinc/89/68/15/429896815.db2.gz OQFFVLWRZJEJKN-GOSISDBHSA-N 1 2 324.428 2.987 20 30 DFEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)n2c1 ZINC000368825627 429896816 /nfs/dbraw/zinc/89/68/16/429896816.db2.gz OQFFVLWRZJEJKN-GOSISDBHSA-N 1 2 324.428 2.987 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528718640 429909116 /nfs/dbraw/zinc/90/91/16/429909116.db2.gz ZHVZRYSDUJIFNO-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528718640 429909117 /nfs/dbraw/zinc/90/91/17/429909117.db2.gz ZHVZRYSDUJIFNO-NSHDSACASA-N 1 2 312.335 2.754 20 30 DFEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000369086561 429911359 /nfs/dbraw/zinc/91/13/59/429911359.db2.gz XXDSHJFTFXUVTI-HNNXBMFYSA-N 1 2 316.792 2.885 20 30 DFEDLO N#Cc1cc(Cl)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369083657 429911697 /nfs/dbraw/zinc/91/16/97/429911697.db2.gz JEMRMSWNSLBYTH-HNNXBMFYSA-N 1 2 316.792 2.885 20 30 DFEDLO N#C[C@@H]1[N@H+](CCCCCn2cccn2)CCC[C@@]12CCCCO2 ZINC000369312566 429923233 /nfs/dbraw/zinc/92/32/33/429923233.db2.gz QIVOLELQBDWLBN-ROUUACIJSA-N 1 2 316.449 2.981 20 30 DFEDLO N#C[C@@H]1[N@@H+](CCCCCn2cccn2)CCC[C@@]12CCCCO2 ZINC000369312566 429923234 /nfs/dbraw/zinc/92/32/34/429923234.db2.gz QIVOLELQBDWLBN-ROUUACIJSA-N 1 2 316.449 2.981 20 30 DFEDLO CC(C)(C#N)[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573087011 429924347 /nfs/dbraw/zinc/92/43/47/429924347.db2.gz XWWQQEYGTMKGPI-OAHLLOKOSA-N 1 2 317.408 2.846 20 30 DFEDLO CC(C)(C#N)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573087011 429924351 /nfs/dbraw/zinc/92/43/51/429924351.db2.gz XWWQQEYGTMKGPI-OAHLLOKOSA-N 1 2 317.408 2.846 20 30 DFEDLO C=C(C)COc1cccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000639632091 429925187 /nfs/dbraw/zinc/92/51/87/429925187.db2.gz VSWURCRBLQLPKZ-AWEZNQCLSA-N 1 2 312.373 2.584 20 30 DFEDLO C=CCC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000636955669 429959876 /nfs/dbraw/zinc/95/98/76/429959876.db2.gz XUTUXZRJVYTCSD-NVXWUHKLSA-N 1 2 310.401 2.815 20 30 DFEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000573806841 429984924 /nfs/dbraw/zinc/98/49/24/429984924.db2.gz PDNHXQDWRFCGMT-SFHVURJKSA-N 1 2 323.352 2.558 20 30 DFEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000573806841 429984927 /nfs/dbraw/zinc/98/49/27/429984927.db2.gz PDNHXQDWRFCGMT-SFHVURJKSA-N 1 2 323.352 2.558 20 30 DFEDLO CC1CCC(O)(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000369391480 429936862 /nfs/dbraw/zinc/93/68/62/429936862.db2.gz NKIUDNDKFZQITD-FPQWYMTMSA-N 1 2 306.450 2.855 20 30 DFEDLO CC1CCC(O)(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000369391480 429936868 /nfs/dbraw/zinc/93/68/68/429936868.db2.gz NKIUDNDKFZQITD-FPQWYMTMSA-N 1 2 306.450 2.855 20 30 DFEDLO C=CC(C)(C)CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000637324319 430024910 /nfs/dbraw/zinc/02/49/10/430024910.db2.gz UZFXOJJJNXOWGK-UKRRQHHQSA-N 1 2 320.437 2.542 20 30 DFEDLO C=CCC[N@@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530098276 430096761 /nfs/dbraw/zinc/09/67/61/430096761.db2.gz ZXKOTIFUXUFLLV-UHFFFAOYSA-N 1 2 305.328 2.654 20 30 DFEDLO C=CCC[N@H+](C)Cn1nc(-c2c(F)cccc2F)ccc1=O ZINC000530098276 430096765 /nfs/dbraw/zinc/09/67/65/430096765.db2.gz ZXKOTIFUXUFLLV-UHFFFAOYSA-N 1 2 305.328 2.654 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000561857489 430101818 /nfs/dbraw/zinc/10/18/18/430101818.db2.gz OEXPVFJJBGUUDP-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000561857489 430101824 /nfs/dbraw/zinc/10/18/24/430101824.db2.gz OEXPVFJJBGUUDP-AWEZNQCLSA-N 1 2 312.398 2.790 20 30 DFEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000577276045 430112103 /nfs/dbraw/zinc/11/21/03/430112103.db2.gz VTTJJGYJFVGAMO-GOSISDBHSA-N 1 2 321.424 2.876 20 30 DFEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000577276045 430112107 /nfs/dbraw/zinc/11/21/07/430112107.db2.gz VTTJJGYJFVGAMO-GOSISDBHSA-N 1 2 321.424 2.876 20 30 DFEDLO N#CC1(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC000534309138 430159221 /nfs/dbraw/zinc/15/92/21/430159221.db2.gz MWOHEPVFYNOZDI-OAHLLOKOSA-N 1 2 323.396 2.931 20 30 DFEDLO N#CC1(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC000534309138 430159227 /nfs/dbraw/zinc/15/92/27/430159227.db2.gz MWOHEPVFYNOZDI-OAHLLOKOSA-N 1 2 323.396 2.931 20 30 DFEDLO CCN1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480794 430117366 /nfs/dbraw/zinc/11/73/66/430117366.db2.gz LXQRBRXQGSQPEN-OAHLLOKOSA-N 1 2 315.808 2.818 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000268260696 277130719 /nfs/dbraw/zinc/13/07/19/277130719.db2.gz XGXVUFFEIRVLCJ-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000268260696 277130722 /nfs/dbraw/zinc/13/07/22/277130722.db2.gz XGXVUFFEIRVLCJ-HNNXBMFYSA-N 1 2 317.408 2.824 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000564915420 430201135 /nfs/dbraw/zinc/20/11/35/430201135.db2.gz HDVTUDFFEHQDOQ-UHFFFAOYSA-N 1 2 310.850 2.960 20 30 DFEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000564915420 430201141 /nfs/dbraw/zinc/20/11/41/430201141.db2.gz HDVTUDFFEHQDOQ-UHFFFAOYSA-N 1 2 310.850 2.960 20 30 DFEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC000541983647 430198124 /nfs/dbraw/zinc/19/81/24/430198124.db2.gz PBFVXFIXHHTTIK-INIZCTEOSA-N 1 2 300.333 2.529 20 30 DFEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC000541983652 430199205 /nfs/dbraw/zinc/19/92/05/430199205.db2.gz PBFVXFIXHHTTIK-MRXNPFEDSA-N 1 2 300.333 2.529 20 30 DFEDLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565166332 430203455 /nfs/dbraw/zinc/20/34/55/430203455.db2.gz ZNEQHHRFHQVDDN-OAHLLOKOSA-N 1 2 305.809 2.849 20 30 DFEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000566434021 430260288 /nfs/dbraw/zinc/26/02/88/430260288.db2.gz ZAKUWVIVQLEUSU-ZDUSSCGKSA-N 1 2 308.385 2.651 20 30 DFEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000566434021 430260292 /nfs/dbraw/zinc/26/02/92/430260292.db2.gz ZAKUWVIVQLEUSU-ZDUSSCGKSA-N 1 2 308.385 2.651 20 30 DFEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COC(C)C ZINC000565784689 430227684 /nfs/dbraw/zinc/22/76/84/430227684.db2.gz ZOERZFDPFLYGAP-QGZVFWFLSA-N 1 2 317.433 2.510 20 30 DFEDLO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995632 430303774 /nfs/dbraw/zinc/30/37/74/430303774.db2.gz QLRDGHBBZGGDBA-WBMJQRKESA-N 1 2 323.437 2.514 20 30 DFEDLO C=CCCC[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641411789 430396651 /nfs/dbraw/zinc/39/66/51/430396651.db2.gz IEPQXTSATLGQPE-AWEZNQCLSA-N 1 2 322.474 2.698 20 30 DFEDLO C=CCCC[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641411789 430396653 /nfs/dbraw/zinc/39/66/53/430396653.db2.gz IEPQXTSATLGQPE-AWEZNQCLSA-N 1 2 322.474 2.698 20 30 DFEDLO Cc1cc2occ(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2cc1C ZINC000583938506 430443664 /nfs/dbraw/zinc/44/36/64/430443664.db2.gz ZILQRQDLWHQMEG-SFHVURJKSA-N 1 2 313.401 2.552 20 30 DFEDLO N#CCCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000584110746 430460038 /nfs/dbraw/zinc/46/00/38/430460038.db2.gz QUXVSLQUEMBPGC-UHFFFAOYSA-N 1 2 317.462 2.550 20 30 DFEDLO N#CCCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000584110746 430460039 /nfs/dbraw/zinc/46/00/39/430460039.db2.gz QUXVSLQUEMBPGC-UHFFFAOYSA-N 1 2 317.462 2.550 20 30 DFEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000569845329 430491349 /nfs/dbraw/zinc/49/13/49/430491349.db2.gz HOTBWRBSIKQAOP-BXUZGUMPSA-N 1 2 322.206 2.516 20 30 DFEDLO C=CC[C@H](CO)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642221902 430506312 /nfs/dbraw/zinc/50/63/12/430506312.db2.gz YTDFDNLEIZMJBP-JTQLQIEISA-N 1 2 300.337 2.847 20 30 DFEDLO N#Cc1ccnc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000552036020 430581285 /nfs/dbraw/zinc/58/12/85/430581285.db2.gz RMSNMUJHTJNNIA-SHTZXODSSA-N 1 2 321.384 2.501 20 30 DFEDLO COC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C1CCCCC1 ZINC000571006351 430595580 /nfs/dbraw/zinc/59/55/80/430595580.db2.gz RBMHMPCZAWSJKM-KRWDZBQOSA-N 1 2 316.401 2.649 20 30 DFEDLO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000552586668 430599510 /nfs/dbraw/zinc/59/95/10/430599510.db2.gz MQVZKROIKRCTSP-CYBMUJFWSA-N 1 2 321.384 2.530 20 30 DFEDLO N#CC1(C(=O)NCC2CC[NH+](CC(F)F)CC2)CCCCC1 ZINC000556942551 430696672 /nfs/dbraw/zinc/69/66/72/430696672.db2.gz CGIYPWBYWAWYHF-UHFFFAOYSA-N 1 2 313.392 2.554 20 30 DFEDLO Cc1cnc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000573060626 430699406 /nfs/dbraw/zinc/69/94/06/430699406.db2.gz MUNKYXYPDYHQNX-HNNXBMFYSA-N 1 2 307.401 2.798 20 30 DFEDLO C=CCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000664725317 430731436 /nfs/dbraw/zinc/73/14/36/430731436.db2.gz QBQFRNYAUPYDCJ-UHFFFAOYSA-N 1 2 307.825 2.573 20 30 DFEDLO C=CCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000664725317 430731442 /nfs/dbraw/zinc/73/14/42/430731442.db2.gz QBQFRNYAUPYDCJ-UHFFFAOYSA-N 1 2 307.825 2.573 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000648275010 430732409 /nfs/dbraw/zinc/73/24/09/430732409.db2.gz GNZQEGXQGNQJOK-UHFFFAOYSA-N 1 2 305.422 2.538 20 30 DFEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000648275010 430732414 /nfs/dbraw/zinc/73/24/14/430732414.db2.gz GNZQEGXQGNQJOK-UHFFFAOYSA-N 1 2 305.422 2.538 20 30 DFEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000661572193 430762524 /nfs/dbraw/zinc/76/25/24/430762524.db2.gz HXYBCGOVNHMOBA-AWEZNQCLSA-N 1 2 302.353 2.524 20 30 DFEDLO C=C(C)CN(C)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651328516 430766857 /nfs/dbraw/zinc/76/68/57/430766857.db2.gz ZVRXPTOODDWRAR-INIZCTEOSA-N 1 2 312.417 2.921 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000644626712 430773589 /nfs/dbraw/zinc/77/35/89/430773589.db2.gz AXEKGPNUTUIXTL-UHFFFAOYSA-N 1 2 319.449 2.928 20 30 DFEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000644626712 430773590 /nfs/dbraw/zinc/77/35/90/430773590.db2.gz AXEKGPNUTUIXTL-UHFFFAOYSA-N 1 2 319.449 2.928 20 30 DFEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000658436455 430893493 /nfs/dbraw/zinc/89/34/93/430893493.db2.gz ZBBVDKZWGLQTBA-HNNXBMFYSA-N 1 2 315.417 2.760 20 30 DFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665386231 430918046 /nfs/dbraw/zinc/91/80/46/430918046.db2.gz RXLFBWOTEYHAHY-JKSUJKDBSA-N 1 2 323.481 2.531 20 30 DFEDLO C=CCOc1ccccc1C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652064405 430952355 /nfs/dbraw/zinc/95/23/55/430952355.db2.gz NACIXHIVTOMTJO-NVXWUHKLSA-N 1 2 303.402 2.630 20 30 DFEDLO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652064405 430952361 /nfs/dbraw/zinc/95/23/61/430952361.db2.gz NACIXHIVTOMTJO-NVXWUHKLSA-N 1 2 303.402 2.630 20 30 DFEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226836 431034698 /nfs/dbraw/zinc/03/46/98/431034698.db2.gz SBDPYWQKRQMPGQ-SJORKVTESA-N 1 2 309.413 2.749 20 30 DFEDLO N#Cc1cnccc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000645928522 431115944 /nfs/dbraw/zinc/11/59/44/431115944.db2.gz MQMLPEIDKXTSGQ-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO N#Cc1cnccc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000645928522 431115952 /nfs/dbraw/zinc/11/59/52/431115952.db2.gz MQMLPEIDKXTSGQ-LJQANCHMSA-N 1 2 319.364 2.563 20 30 DFEDLO C=CCC(C)(C)CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000655967285 431231977 /nfs/dbraw/zinc/23/19/77/431231977.db2.gz LTPYQNBUKXAGMG-CQSZACIVSA-N 1 2 304.438 2.689 20 30 DFEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666955687 431423011 /nfs/dbraw/zinc/42/30/11/431423011.db2.gz CUQAUQMRGZYXBP-HUUCEWRRSA-N 1 2 313.376 2.878 20 30 DFEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)nn1 ZINC000653722306 431501783 /nfs/dbraw/zinc/50/17/83/431501783.db2.gz YGZFNBCUQBWGML-INIZCTEOSA-N 1 2 320.824 2.673 20 30 DFEDLO C=CCCn1cc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)nn1 ZINC000653722306 431501786 /nfs/dbraw/zinc/50/17/86/431501786.db2.gz YGZFNBCUQBWGML-INIZCTEOSA-N 1 2 320.824 2.673 20 30 DFEDLO C=CCCOCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000650427083 431560120 /nfs/dbraw/zinc/56/01/20/431560120.db2.gz ORRZDEUYWUDISM-UHFFFAOYSA-N 1 2 319.792 2.735 20 30 DFEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C#N)CCCC2)c1C ZINC000195002808 335089918 /nfs/dbraw/zinc/08/99/18/335089918.db2.gz YLXXPJISPJEHTP-UHFFFAOYSA-N 1 2 301.390 2.749 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660966571 431681481 /nfs/dbraw/zinc/68/14/81/431681481.db2.gz FBRUHQGUKKAPEO-GJZGRUSLSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660966571 431681487 /nfs/dbraw/zinc/68/14/87/431681487.db2.gz FBRUHQGUKKAPEO-GJZGRUSLSA-N 1 2 309.360 2.585 20 30 DFEDLO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@H](C)COC ZINC000661240585 431789965 /nfs/dbraw/zinc/78/99/65/431789965.db2.gz OTINYHODFANDCJ-SNVBAGLBSA-N 1 2 320.462 2.913 20 30 DFEDLO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@H](C)COC ZINC000661240585 431789970 /nfs/dbraw/zinc/78/99/70/431789970.db2.gz OTINYHODFANDCJ-SNVBAGLBSA-N 1 2 320.462 2.913 20 30 DFEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@@H](C)COC ZINC000661243700 431791601 /nfs/dbraw/zinc/79/16/01/431791601.db2.gz LXBGXAZVKHZIEH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@@H](C)COC ZINC000661243700 431791607 /nfs/dbraw/zinc/79/16/07/431791607.db2.gz LXBGXAZVKHZIEH-NSHDSACASA-N 1 2 314.788 2.941 20 30 DFEDLO Cc1cc2ccccc2[nH+]c1N1CCC(n2cnc(C#N)n2)CC1 ZINC000366892177 280698751 /nfs/dbraw/zinc/69/87/51/280698751.db2.gz YWMANKKJKVRKNN-UHFFFAOYSA-N 1 2 318.384 2.848 20 30 DFEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)nn1 ZINC000657478812 431773283 /nfs/dbraw/zinc/77/32/83/431773283.db2.gz OOAWENQTAPYGDQ-UHFFFAOYSA-N 1 2 311.311 2.558 20 30 DFEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cnc(C#N)cn4)C3)[nH+]c2c1 ZINC000129447022 281025959 /nfs/dbraw/zinc/02/59/59/281025959.db2.gz LGEVKYBEJRZVEY-CYBMUJFWSA-N 1 2 318.384 2.917 20 30 DFEDLO COC(=O)Nc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000156719734 295340298 /nfs/dbraw/zinc/34/02/98/295340298.db2.gz QSBGPKVPCNIZBI-UHFFFAOYSA-N 1 2 321.340 2.996 20 30 DFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000158295352 295361176 /nfs/dbraw/zinc/36/11/76/295361176.db2.gz UCWHHXCMEDLYGH-UHFFFAOYSA-N 1 2 315.392 2.532 20 30 DFEDLO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158505989 295363605 /nfs/dbraw/zinc/36/36/05/295363605.db2.gz QQNGSZBBHVCSDH-UHFFFAOYSA-N 1 2 322.368 2.798 20 30 DFEDLO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000158505989 295363606 /nfs/dbraw/zinc/36/36/06/295363606.db2.gz QQNGSZBBHVCSDH-UHFFFAOYSA-N 1 2 322.368 2.798 20 30 DFEDLO N#Cc1ccc2ncc(CNc3ccc(N4CCCC4)[nH+]c3)n2c1 ZINC000163231499 295421498 /nfs/dbraw/zinc/42/14/98/295421498.db2.gz FHXHHMANFWQMGG-UHFFFAOYSA-N 1 2 318.384 2.813 20 30 DFEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438648507 297102091 /nfs/dbraw/zinc/10/20/91/297102091.db2.gz LBSRUHZCRYLWKT-UHFFFAOYSA-N 1 2 323.278 2.632 20 30 DFEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000535965458 301265367 /nfs/dbraw/zinc/26/53/67/301265367.db2.gz XMPRECQKKMBSFU-GOSISDBHSA-N 1 2 324.380 2.510 20 30 DFEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000535965458 301265369 /nfs/dbraw/zinc/26/53/69/301265369.db2.gz XMPRECQKKMBSFU-GOSISDBHSA-N 1 2 324.380 2.510 20 30 DFEDLO CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC000537547469 301302159 /nfs/dbraw/zinc/30/21/59/301302159.db2.gz OJYTUUPSLBFDHR-UHFFFAOYSA-N 1 2 314.776 2.603 20 30 DFEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000551810457 301667780 /nfs/dbraw/zinc/66/77/80/301667780.db2.gz SYARWSKUABMEOW-MRXNPFEDSA-N 1 2 321.384 2.532 20 30 DFEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000556677171 301799794 /nfs/dbraw/zinc/79/97/94/301799794.db2.gz FNHMEXMXFHNCKN-JTQLQIEISA-N 1 2 302.765 2.919 20 30 DFEDLO C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccc(C#N)cc1 ZINC000562588907 301976270 /nfs/dbraw/zinc/97/62/70/301976270.db2.gz RLKWOKOEPMVFEV-HUBLWGQQSA-N 1 2 309.373 2.821 20 30 DFEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000563204600 302048972 /nfs/dbraw/zinc/04/89/72/302048972.db2.gz UMAKOLDPLBOXMU-RHSMWYFYSA-N 1 2 322.412 2.927 20 30 DFEDLO N#Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CC2 ZINC000564433792 302134550 /nfs/dbraw/zinc/13/45/50/302134550.db2.gz QIQXUHTWZNOCDY-SFHVURJKSA-N 1 2 320.396 2.889 20 30 DFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565341972 302219204 /nfs/dbraw/zinc/21/92/04/302219204.db2.gz CSVKMGUCOLVFRH-MCMMXHMISA-N 1 2 313.426 2.884 20 30 DFEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565341972 302219205 /nfs/dbraw/zinc/21/92/05/302219205.db2.gz CSVKMGUCOLVFRH-MCMMXHMISA-N 1 2 313.426 2.884 20 30 DFEDLO N#Cc1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000370566470 303213235 /nfs/dbraw/zinc/21/32/35/303213235.db2.gz WNSPXNQXLHIVPR-HUUCEWRRSA-N 1 2 320.824 2.662 20 30 DFEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(C)o1 ZINC000184651492 316171201 /nfs/dbraw/zinc/17/12/01/316171201.db2.gz QOLJPKXRBGVXHC-HNNXBMFYSA-N 1 2 300.358 2.946 20 30 DFEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ccnc(C#N)n1 ZINC000567179834 317956277 /nfs/dbraw/zinc/95/62/77/317956277.db2.gz WEOYIZWYUSYQSX-AWEZNQCLSA-N 1 2 318.384 2.675 20 30 DFEDLO Cc1noc([C@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000574650381 318031573 /nfs/dbraw/zinc/03/15/73/318031573.db2.gz XPTMTNGIXZTLSK-LBPRGKRZSA-N 1 2 300.362 2.712 20 30 DFEDLO Cc1noc([C@H](C)[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000574650381 318031576 /nfs/dbraw/zinc/03/15/76/318031576.db2.gz XPTMTNGIXZTLSK-LBPRGKRZSA-N 1 2 300.362 2.712 20 30 DFEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C#N)c1C ZINC000574862810 318045340 /nfs/dbraw/zinc/04/53/40/318045340.db2.gz HIGWKYGJXOVGTA-SWLSCSKDSA-N 1 2 323.343 2.684 20 30 DFEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C#N)c1C ZINC000574862810 318045342 /nfs/dbraw/zinc/04/53/42/318045342.db2.gz HIGWKYGJXOVGTA-SWLSCSKDSA-N 1 2 323.343 2.684 20 30 DFEDLO N#Cc1cnc(C[NH+]2CCC(OCC3CCCC3)CC2)nc1 ZINC000574907110 318049743 /nfs/dbraw/zinc/04/97/43/318049743.db2.gz GFDDJKOHKBOHDU-UHFFFAOYSA-N 1 2 300.406 2.519 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1F ZINC000579187349 318312282 /nfs/dbraw/zinc/31/22/82/318312282.db2.gz XCKMAGSZRXGTGU-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]1 ZINC000579205375 318314112 /nfs/dbraw/zinc/31/41/12/318314112.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]1 ZINC000579205375 318314115 /nfs/dbraw/zinc/31/41/15/318314115.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000579205375 318314119 /nfs/dbraw/zinc/31/41/19/318314119.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000579205375 318314123 /nfs/dbraw/zinc/31/41/23/318314123.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000579205375 318314124 /nfs/dbraw/zinc/31/41/24/318314124.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000579205375 318314127 /nfs/dbraw/zinc/31/41/27/318314127.db2.gz RTGRCRZNKNIQEG-GFCCVEGCSA-N 1 2 301.781 2.628 20 30 DFEDLO Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)c(C#N)c[nH+]1 ZINC000580545379 323400474 /nfs/dbraw/zinc/40/04/74/323400474.db2.gz XILOLZCNJNDCFR-UHFFFAOYSA-N 1 2 322.290 2.632 20 30 DFEDLO Cc1[nH+]c2cc(CNc3cnc(C#N)cn3)ccc2n1C1CC1 ZINC000583094996 323796006 /nfs/dbraw/zinc/79/60/06/323796006.db2.gz TZRGGGYWIILTOG-UHFFFAOYSA-N 1 2 304.357 2.953 20 30 DFEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)nc1 ZINC000583484162 323863392 /nfs/dbraw/zinc/86/33/92/323863392.db2.gz REXBEBUZPINNCU-UHFFFAOYSA-N 1 2 312.804 2.929 20 30 DFEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000117002281 331492721 /nfs/dbraw/zinc/49/27/21/331492721.db2.gz RZDAEHDSGLGONZ-AWEZNQCLSA-N 1 2 303.406 2.605 20 30 DFEDLO C=CCC[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000188268196 331546082 /nfs/dbraw/zinc/54/60/82/331546082.db2.gz DGIPTAXGEKKFIW-AEFFLSMTSA-N 1 2 316.445 2.573 20 30 DFEDLO C#CCN(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297503793 331600325 /nfs/dbraw/zinc/60/03/25/331600325.db2.gz GKYSUQYUWXFASI-UHFFFAOYSA-N 1 2 316.792 2.690 20 30 DFEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000297954414 331614873 /nfs/dbraw/zinc/61/48/73/331614873.db2.gz TWTWIDGEDQRTTM-ZDUSSCGKSA-N 1 2 303.362 2.904 20 30 DFEDLO Cc1nc(CC(N)=[NH+]OCc2cnc(Cl)s2)cs1 ZINC000089736614 332075899 /nfs/dbraw/zinc/07/58/99/332075899.db2.gz YFOKIMRTUBWQNU-UHFFFAOYSA-N 1 2 302.812 2.593 20 30 DFEDLO CC(C)Cc1ccc([C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000569490377 332102023 /nfs/dbraw/zinc/10/20/23/332102023.db2.gz ZPIOVPLHPNZDJD-KXBFYZLASA-N 1 2 315.461 2.949 20 30 DFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000569499566 332108517 /nfs/dbraw/zinc/10/85/17/332108517.db2.gz DFIGMTWWXILWPF-YGRLFVJLSA-N 1 2 309.772 2.866 20 30 DFEDLO CCOC(=O)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000091773128 332112119 /nfs/dbraw/zinc/11/21/19/332112119.db2.gz PXQSRNAORLCTGM-UHFFFAOYSA-N 1 2 315.417 2.564 20 30 DFEDLO CCOC(=O)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000091773128 332112120 /nfs/dbraw/zinc/11/21/20/332112120.db2.gz PXQSRNAORLCTGM-UHFFFAOYSA-N 1 2 315.417 2.564 20 30 DFEDLO COC(=O)C(C)(C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427012941 332164536 /nfs/dbraw/zinc/16/45/36/332164536.db2.gz AHCRCLCMQANOKJ-UHFFFAOYSA-N 1 2 313.319 2.940 20 30 DFEDLO COC(=O)C(C)(C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427012941 332164538 /nfs/dbraw/zinc/16/45/38/332164538.db2.gz AHCRCLCMQANOKJ-UHFFFAOYSA-N 1 2 313.319 2.940 20 30 DFEDLO CCCOc1ccc(/C=[NH+]/C2CCN(C(=O)OC)CC2)c(O)c1 ZINC000098161543 332206740 /nfs/dbraw/zinc/20/67/40/332206740.db2.gz FFROPDPWWGDXFG-LDADJPATSA-N 1 2 320.389 2.831 20 30 DFEDLO CCCc1nc(CO[NH+]=C(N)Cc2csc(C)n2)cs1 ZINC000101540537 332216280 /nfs/dbraw/zinc/21/62/80/332216280.db2.gz CTHQDEDFTVLZAT-UHFFFAOYSA-N 1 2 310.448 2.892 20 30 DFEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000103467663 332239383 /nfs/dbraw/zinc/23/93/83/332239383.db2.gz DHISOAZAVDAPNM-HNNXBMFYSA-N 1 2 317.458 2.679 20 30 DFEDLO C=CCC(C)(C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000293097050 335100115 /nfs/dbraw/zinc/10/01/15/335100115.db2.gz SNGTYFQQWJXESK-CQSZACIVSA-N 1 2 317.433 2.525 20 30 DFEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Cl)c(Cl)c1 ZINC000112335850 332313033 /nfs/dbraw/zinc/31/30/33/332313033.db2.gz NXKBYQPIGSGDOA-UHFFFAOYSA-N 1 2 318.204 2.697 20 30 DFEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)c(Br)c1 ZINC000560273844 332326688 /nfs/dbraw/zinc/32/66/88/332326688.db2.gz PSASPZWZWRDTEK-UHFFFAOYSA-N 1 2 323.190 2.629 20 30 DFEDLO C[C@H]1CN(CC2(C#N)CC2)C2(CCCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000560298889 332328446 /nfs/dbraw/zinc/32/84/46/332328446.db2.gz STZWDAHRPWTSGP-INIZCTEOSA-N 1 2 312.461 2.913 20 30 DFEDLO C[C@H]1CN(CC2(C#N)CC2)C2(CCCC2)C[N@H+]1CC1(C#N)CC1 ZINC000560298889 332328448 /nfs/dbraw/zinc/32/84/48/332328448.db2.gz STZWDAHRPWTSGP-INIZCTEOSA-N 1 2 312.461 2.913 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000185006648 335103525 /nfs/dbraw/zinc/10/35/25/335103525.db2.gz QHTQYGKNYCLIHU-KRWDZBQOSA-N 1 2 316.445 2.812 20 30 DFEDLO CCc1noc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119302383 332369284 /nfs/dbraw/zinc/36/92/84/332369284.db2.gz DUNVGQFFDQSFGK-IBGZPJMESA-N 1 2 324.428 2.928 20 30 DFEDLO CC#CC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000293209634 335104999 /nfs/dbraw/zinc/10/49/99/335104999.db2.gz REXZRYZVVOHTTK-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO CC#CC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000293209634 335105000 /nfs/dbraw/zinc/10/50/00/335105000.db2.gz REXZRYZVVOHTTK-UHFFFAOYSA-N 1 2 320.190 2.954 20 30 DFEDLO C#CC[C@H](Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000293201139 335105098 /nfs/dbraw/zinc/10/50/98/335105098.db2.gz URCWIZDOQNSUCG-SJORKVTESA-N 1 2 322.412 2.614 20 30 DFEDLO C#CC[C@H](Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000293201139 335105099 /nfs/dbraw/zinc/10/50/99/335105099.db2.gz URCWIZDOQNSUCG-SJORKVTESA-N 1 2 322.412 2.614 20 30 DFEDLO N#CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000128239975 332493459 /nfs/dbraw/zinc/49/34/59/332493459.db2.gz OYEKFAJPXCLUFN-UHFFFAOYSA-N 1 2 308.385 2.840 20 30 DFEDLO CC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(OC)cc1 ZINC000565051778 332500346 /nfs/dbraw/zinc/50/03/46/332500346.db2.gz RAUGIEYCUJDRCI-KSSFIOAISA-N 1 2 317.433 2.539 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000157448999 332521835 /nfs/dbraw/zinc/52/18/35/332521835.db2.gz HYZROKXYABHERZ-CQSZACIVSA-N 1 2 311.385 2.730 20 30 DFEDLO C=CCC(F)(F)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000293721650 335112725 /nfs/dbraw/zinc/11/27/25/335112725.db2.gz FRXRCOQTJAABTO-UHFFFAOYSA-N 1 2 310.344 2.669 20 30 DFEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000569919175 332692037 /nfs/dbraw/zinc/69/20/37/332692037.db2.gz NNYASECYJBXPMB-LJQANCHMSA-N 1 2 324.428 2.513 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000293808442 335117851 /nfs/dbraw/zinc/11/78/51/335117851.db2.gz DUQPSODOXACGKY-OAHLLOKOSA-N 1 2 308.372 2.583 20 30 DFEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000293808442 335117853 /nfs/dbraw/zinc/11/78/53/335117853.db2.gz DUQPSODOXACGKY-OAHLLOKOSA-N 1 2 308.372 2.583 20 30 DFEDLO CC(C)c1noc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000172413165 333062836 /nfs/dbraw/zinc/06/28/36/333062836.db2.gz STJKJHMEHYIDIU-UHFFFAOYSA-N 1 2 308.769 2.878 20 30 DFEDLO COc1ccc(CNC(=O)C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000173546198 333075050 /nfs/dbraw/zinc/07/50/50/333075050.db2.gz ZDXLBDOJTSPSCV-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO COc1ccc(CNC(=O)C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000173546198 333075051 /nfs/dbraw/zinc/07/50/51/333075051.db2.gz ZDXLBDOJTSPSCV-UHFFFAOYSA-N 1 2 317.433 2.573 20 30 DFEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174225861 333083460 /nfs/dbraw/zinc/08/34/60/333083460.db2.gz NTIKIRFFMMAGRR-UONOGXRCSA-N 1 2 321.421 2.672 20 30 DFEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174225846 333083536 /nfs/dbraw/zinc/08/35/36/333083536.db2.gz NTIKIRFFMMAGRR-KGLIPLIRSA-N 1 2 321.421 2.672 20 30 DFEDLO COc1ccc(C(N)=[NH+]OCc2csc([C@@H](C)OC)n2)cc1 ZINC000177555505 333130188 /nfs/dbraw/zinc/13/01/88/333130188.db2.gz RZISGAWZIFSWKG-SNVBAGLBSA-N 1 2 321.402 2.696 20 30 DFEDLO COc1cccc(C(N)=[NH+]OCc2csc([C@@H](C)OC)n2)c1 ZINC000177612208 333130568 /nfs/dbraw/zinc/13/05/68/333130568.db2.gz ARULGPJVJNDZGX-SNVBAGLBSA-N 1 2 321.402 2.696 20 30 DFEDLO N#CC1(c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000180200158 333159633 /nfs/dbraw/zinc/15/96/33/333159633.db2.gz RFMDTTILPHZVAB-UHFFFAOYSA-N 1 2 320.396 2.916 20 30 DFEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180986410 333166640 /nfs/dbraw/zinc/16/66/40/333166640.db2.gz JXNJAJXWQQOCBA-MRXNPFEDSA-N 1 2 304.390 2.656 20 30 DFEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000184095597 333192126 /nfs/dbraw/zinc/19/21/26/333192126.db2.gz ZIPQISCMKJCUEU-AWEZNQCLSA-N 1 2 320.462 2.830 20 30 DFEDLO CC(C)(CCC#N)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185762243 333213870 /nfs/dbraw/zinc/21/38/70/333213870.db2.gz FGDZGQXTKKFLLJ-UHFFFAOYSA-N 1 2 313.405 2.803 20 30 DFEDLO C=CC(C)(C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000294821036 335127771 /nfs/dbraw/zinc/12/77/71/335127771.db2.gz CPURZMBUQKMTDO-AWEZNQCLSA-N 1 2 322.474 2.758 20 30 DFEDLO COC(=O)c1ccccc1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000187127172 333227988 /nfs/dbraw/zinc/22/79/88/333227988.db2.gz CZSILWPLYANUQZ-UHFFFAOYSA-N 1 2 323.396 2.827 20 30 DFEDLO COC(=O)c1ccccc1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000187127172 333227990 /nfs/dbraw/zinc/22/79/90/333227990.db2.gz CZSILWPLYANUQZ-UHFFFAOYSA-N 1 2 323.396 2.827 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188906354 333253070 /nfs/dbraw/zinc/25/30/70/333253070.db2.gz PRSNBCVLWNITAD-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO CCOc1ccc(N(CCC#N)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188906354 333253072 /nfs/dbraw/zinc/25/30/72/333253072.db2.gz PRSNBCVLWNITAD-UHFFFAOYSA-N 1 2 312.373 2.688 20 30 DFEDLO CCc1nc(NC(=O)C[NH+]2CCC(CCC#N)CC2)sc1C ZINC000563068903 333281386 /nfs/dbraw/zinc/28/13/86/333281386.db2.gz ROYTWJBWUTZSMA-UHFFFAOYSA-N 1 2 320.462 2.968 20 30 DFEDLO C#CCOc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000119041256 333342055 /nfs/dbraw/zinc/34/20/55/333342055.db2.gz HQBMXXYAHOONQW-UHFFFAOYSA-N 1 2 323.396 2.716 20 30 DFEDLO C=CCCCN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119006581 333342313 /nfs/dbraw/zinc/34/23/13/333342313.db2.gz QMEXVXVDCLZLCA-UHFFFAOYSA-N 1 2 318.421 2.657 20 30 DFEDLO C=CC[C@@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000185944579 333371459 /nfs/dbraw/zinc/37/14/59/333371459.db2.gz FTDNFAAFXSLOEW-HNNXBMFYSA-N 1 2 312.369 2.849 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186903400 333381031 /nfs/dbraw/zinc/38/10/31/333381031.db2.gz ZDTVJUVYLCCLLA-HIFRSBDPSA-N 1 2 320.458 2.606 20 30 DFEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186903400 333381033 /nfs/dbraw/zinc/38/10/33/333381033.db2.gz ZDTVJUVYLCCLLA-HIFRSBDPSA-N 1 2 320.458 2.606 20 30 DFEDLO C=C(C)[C@H](CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)OCC ZINC000295791392 335137963 /nfs/dbraw/zinc/13/79/63/335137963.db2.gz FFHYDKQBRUAZNK-ZFWWWQNUSA-N 1 2 305.422 2.701 20 30 DFEDLO CC#CCCCC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000185576659 335141358 /nfs/dbraw/zinc/14/13/58/335141358.db2.gz DCJGWBBDKPTMSQ-HNNXBMFYSA-N 1 2 308.372 2.877 20 30 DFEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000185585235 335140534 /nfs/dbraw/zinc/14/05/34/335140534.db2.gz FKWUQNPRZZTJPC-UHFFFAOYSA-N 1 2 319.474 2.679 20 30 DFEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000185585235 335140535 /nfs/dbraw/zinc/14/05/35/335140535.db2.gz FKWUQNPRZZTJPC-UHFFFAOYSA-N 1 2 319.474 2.679 20 30 DFEDLO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000337604315 333455182 /nfs/dbraw/zinc/45/51/82/333455182.db2.gz OYDLMKCGRLFYSX-OAHLLOKOSA-N 1 2 317.433 2.647 20 30 DFEDLO C=CC[N@@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296468638 335142282 /nfs/dbraw/zinc/14/22/82/335142282.db2.gz XUHCKOSFHQRRKZ-ZDUSSCGKSA-N 1 2 300.196 2.609 20 30 DFEDLO C=CC[N@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296468638 335142283 /nfs/dbraw/zinc/14/22/83/335142283.db2.gz XUHCKOSFHQRRKZ-ZDUSSCGKSA-N 1 2 300.196 2.609 20 30 DFEDLO C#CCO[C@H](C)C(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000296276709 335142802 /nfs/dbraw/zinc/14/28/02/335142802.db2.gz PUVMMVKFBFXNHG-CQSZACIVSA-N 1 2 324.380 2.830 20 30 DFEDLO CC1CC[NH+](CC(=O)Nc2nnc(C3CCOCC3)s2)CC1 ZINC000329423952 335150771 /nfs/dbraw/zinc/15/07/71/335150771.db2.gz FKSSTZZELSVQFM-UHFFFAOYSA-N 1 2 324.450 2.752 20 30 DFEDLO C#CCCOc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000296745737 335148041 /nfs/dbraw/zinc/14/80/41/335148041.db2.gz PGZFHFWNFDBLEC-MRXNPFEDSA-N 1 2 311.385 2.939 20 30 DFEDLO C#CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000185752522 335150433 /nfs/dbraw/zinc/15/04/33/335150433.db2.gz XBUDICAXYWAPPT-UHFFFAOYSA-N 1 2 300.402 2.507 20 30 DFEDLO C#C[C@H](C)NC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000185982351 335155502 /nfs/dbraw/zinc/15/55/02/335155502.db2.gz NRTXYCLTHULEKB-AWEZNQCLSA-N 1 2 324.428 2.967 20 30 DFEDLO N#CCc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000343412862 335163201 /nfs/dbraw/zinc/16/32/01/335163201.db2.gz DXPLHRDYODGYBC-UHFFFAOYSA-N 1 2 321.424 2.776 20 30 DFEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000267008365 333977971 /nfs/dbraw/zinc/97/79/71/333977971.db2.gz LEXJNPZEHNQJPZ-SNVBAGLBSA-N 1 2 313.329 2.584 20 30 DFEDLO COc1cc(/C=N/OCc2c[nH+]cn2C)ccc1OC(F)F ZINC000267775843 333986480 /nfs/dbraw/zinc/98/64/80/333986480.db2.gz MAKVGWMRRJNDNX-NGYBGAFCSA-N 1 2 311.288 2.581 20 30 DFEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)sc1C ZINC000272482091 334035051 /nfs/dbraw/zinc/03/50/51/334035051.db2.gz BECTWUKPFUCAGX-NSHDSACASA-N 1 2 306.435 2.713 20 30 DFEDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272636169 334038360 /nfs/dbraw/zinc/03/83/60/334038360.db2.gz WWBJPMFOEXNGNX-UHFFFAOYSA-N 1 2 321.808 2.913 20 30 DFEDLO Cc1csc([C@@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)n1 ZINC000273162613 334043972 /nfs/dbraw/zinc/04/39/72/334043972.db2.gz BWTKQOAEKLBCEH-SWEBQMAJSA-N 1 2 305.403 2.575 20 30 DFEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCNc1cccc[nH+]1 ZINC000273479663 334048092 /nfs/dbraw/zinc/04/80/92/334048092.db2.gz UDSDASIJWZRZBF-AWEZNQCLSA-N 1 2 306.410 2.581 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000274589032 334063554 /nfs/dbraw/zinc/06/35/54/334063554.db2.gz JSOSHYKRTBVNOA-LSDHHAIUSA-N 1 2 308.426 2.607 20 30 DFEDLO CCCC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(=O)OC ZINC000274983122 334068436 /nfs/dbraw/zinc/06/84/36/334068436.db2.gz XUGDBPUSJIALBO-KRWDZBQOSA-N 1 2 317.433 2.858 20 30 DFEDLO Cc1ncsc1CCO[NH+]=C(N)COc1cccc(F)c1 ZINC000275477382 334071502 /nfs/dbraw/zinc/07/15/02/334071502.db2.gz MSSUTQOKVPLWAM-UHFFFAOYSA-N 1 2 309.366 2.501 20 30 DFEDLO CC1(CCCC[N@H+](CCC#N)Cc2ccccn2)OCCO1 ZINC000278602794 334098499 /nfs/dbraw/zinc/09/84/99/334098499.db2.gz LYBFBZAFJFQAIJ-UHFFFAOYSA-N 1 2 303.406 2.731 20 30 DFEDLO CC1(CCCC[N@@H+](CCC#N)Cc2ccccn2)OCCO1 ZINC000278602794 334098500 /nfs/dbraw/zinc/09/85/00/334098500.db2.gz LYBFBZAFJFQAIJ-UHFFFAOYSA-N 1 2 303.406 2.731 20 30 DFEDLO N#CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CCCC1 ZINC000283223861 334139491 /nfs/dbraw/zinc/13/94/91/334139491.db2.gz SXSLFMHWOJDNSN-INIZCTEOSA-N 1 2 311.429 2.917 20 30 DFEDLO N#CC[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CCCC1 ZINC000283223861 334139492 /nfs/dbraw/zinc/13/94/92/334139492.db2.gz SXSLFMHWOJDNSN-INIZCTEOSA-N 1 2 311.429 2.917 20 30 DFEDLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284025842 334142249 /nfs/dbraw/zinc/14/22/49/334142249.db2.gz IGUYGFXTYXHGSC-DOMZBBRYSA-N 1 2 319.405 2.606 20 30 DFEDLO CSC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000284314907 334143012 /nfs/dbraw/zinc/14/30/12/334143012.db2.gz VZOSNEJPTLGKFD-INIZCTEOSA-N 1 2 301.459 2.592 20 30 DFEDLO CSC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000284314907 334143014 /nfs/dbraw/zinc/14/30/14/334143014.db2.gz VZOSNEJPTLGKFD-INIZCTEOSA-N 1 2 301.459 2.592 20 30 DFEDLO COCCn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367466802 334143349 /nfs/dbraw/zinc/14/33/49/334143349.db2.gz BJSJHRYPPUQREB-RTBURBONSA-N 1 2 324.428 2.801 20 30 DFEDLO COCCn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367466802 334143351 /nfs/dbraw/zinc/14/33/51/334143351.db2.gz BJSJHRYPPUQREB-RTBURBONSA-N 1 2 324.428 2.801 20 30 DFEDLO COCCn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000367466801 334143472 /nfs/dbraw/zinc/14/34/72/334143472.db2.gz BJSJHRYPPUQREB-RBUKOAKNSA-N 1 2 324.428 2.801 20 30 DFEDLO COCCn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000367466801 334143473 /nfs/dbraw/zinc/14/34/73/334143473.db2.gz BJSJHRYPPUQREB-RBUKOAKNSA-N 1 2 324.428 2.801 20 30 DFEDLO NC(=[NH+]OCc1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000284482341 334143687 /nfs/dbraw/zinc/14/36/87/334143687.db2.gz RYWPVBLTGLVFJH-ZDUSSCGKSA-N 1 2 303.387 2.778 20 30 DFEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000285431928 334147883 /nfs/dbraw/zinc/14/78/83/334147883.db2.gz HQGVCULZBLXWAC-XJKSGUPXSA-N 1 2 309.360 2.624 20 30 DFEDLO CC[C@H](CC#N)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000290941402 334175297 /nfs/dbraw/zinc/17/52/97/334175297.db2.gz UALCLMLCENPKLO-LLVKDONJSA-N 1 2 307.195 2.879 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280637 334186345 /nfs/dbraw/zinc/18/63/45/334186345.db2.gz BQOYRLLFHCAETK-QRQLOZEOSA-N 1 2 323.440 2.815 20 30 DFEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000292280637 334186347 /nfs/dbraw/zinc/18/63/47/334186347.db2.gz BQOYRLLFHCAETK-QRQLOZEOSA-N 1 2 323.440 2.815 20 30 DFEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1Br ZINC000292332591 334186854 /nfs/dbraw/zinc/18/68/54/334186854.db2.gz WNBGHRAEHLESPI-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccccc1Br ZINC000292332591 334186855 /nfs/dbraw/zinc/18/68/55/334186855.db2.gz WNBGHRAEHLESPI-AWEZNQCLSA-N 1 2 309.207 2.884 20 30 DFEDLO CC(C)N1CCC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000292447978 334188293 /nfs/dbraw/zinc/18/82/93/334188293.db2.gz PDJCJWFSXNYDGC-SQNIBIBYSA-N 1 2 311.429 2.625 20 30 DFEDLO CC(C)N1CCC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1=O ZINC000292447978 334188294 /nfs/dbraw/zinc/18/82/94/334188294.db2.gz PDJCJWFSXNYDGC-SQNIBIBYSA-N 1 2 311.429 2.625 20 30 DFEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1c[nH+]ccc1OC ZINC000294450786 334209813 /nfs/dbraw/zinc/20/98/13/334209813.db2.gz HJERHBRZLCUHOV-OAHLLOKOSA-N 1 2 307.394 2.678 20 30 DFEDLO N#CCCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296770727 334236478 /nfs/dbraw/zinc/23/64/78/334236478.db2.gz VNHUWRWMZSWWEV-UHFFFAOYSA-N 1 2 317.780 2.629 20 30 DFEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)C#N)n2)C1 ZINC000298806724 334251624 /nfs/dbraw/zinc/25/16/24/334251624.db2.gz GXLQXEMXLGIKBL-LLVKDONJSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)C#N)n2)C1 ZINC000298806724 334251625 /nfs/dbraw/zinc/25/16/25/334251625.db2.gz GXLQXEMXLGIKBL-LLVKDONJSA-N 1 2 306.435 2.863 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000299162766 334253748 /nfs/dbraw/zinc/25/37/48/334253748.db2.gz MMFHRHACNLSADE-FRRDWIJNSA-N 1 2 307.825 2.997 20 30 DFEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)C#N ZINC000299162766 334253749 /nfs/dbraw/zinc/25/37/49/334253749.db2.gz MMFHRHACNLSADE-FRRDWIJNSA-N 1 2 307.825 2.997 20 30 DFEDLO C#CCCCCC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000121385090 334354215 /nfs/dbraw/zinc/35/42/15/334354215.db2.gz CQNQQPWVDVZXTM-UHFFFAOYSA-N 1 2 311.389 2.720 20 30 DFEDLO Cc1ncc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)s1 ZINC000328858919 334760902 /nfs/dbraw/zinc/76/09/02/334760902.db2.gz YMCVTGXXQGNVRH-UHFFFAOYSA-N 1 2 319.434 2.685 20 30 DFEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000328976864 334771142 /nfs/dbraw/zinc/77/11/42/334771142.db2.gz QHNYVEAVBFVQNU-KLHDSHLOSA-N 1 2 317.433 2.662 20 30 DFEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000330927609 334825870 /nfs/dbraw/zinc/82/58/70/334825870.db2.gz KJCIVYXTRSPSCQ-AWEZNQCLSA-N 1 2 302.422 2.896 20 30 DFEDLO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000331251117 334851361 /nfs/dbraw/zinc/85/13/61/334851361.db2.gz ZNFGKHIMQDIAID-NXEZZACHSA-N 1 2 300.761 2.972 20 30 DFEDLO COC(=O)[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000331300127 334855776 /nfs/dbraw/zinc/85/57/76/334855776.db2.gz DRGTVBGYTIYFGB-BXUZGUMPSA-N 1 2 319.405 2.683 20 30 DFEDLO CNC(=O)C1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331304945 334856257 /nfs/dbraw/zinc/85/62/57/334856257.db2.gz FWBYGHZNKYNHNL-UHFFFAOYSA-N 1 2 318.421 2.638 20 30 DFEDLO O=C(NCC#Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344328330 335241015 /nfs/dbraw/zinc/24/10/15/335241015.db2.gz LMMUZINNKCZRNJ-UHFFFAOYSA-N 1 2 301.349 2.654 20 30 DFEDLO Cn1c[nH+]cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000345440218 335330067 /nfs/dbraw/zinc/33/00/67/335330067.db2.gz PLCIVICDHAHXIM-UHFFFAOYSA-N 1 2 323.400 2.615 20 30 DFEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000345735291 335346821 /nfs/dbraw/zinc/34/68/21/335346821.db2.gz ZTDRKZDHOBTWHL-UHFFFAOYSA-N 1 2 321.371 2.662 20 30 DFEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000345819692 335353265 /nfs/dbraw/zinc/35/32/65/335353265.db2.gz SISYVJUGEXJXMI-STQMWFEESA-N 1 2 305.809 2.705 20 30 DFEDLO N#C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1c1ccccc1 ZINC000346416585 335409662 /nfs/dbraw/zinc/40/96/62/335409662.db2.gz ZRLSYFWJLUDKQB-SJORKVTESA-N 1 2 316.364 2.714 20 30 DFEDLO C#C[C@@H](NC(=O)NCc1cccc(-c2[nH+]ccn2C)c1)C(C)C ZINC000366979838 335474785 /nfs/dbraw/zinc/47/47/85/335474785.db2.gz HKGIKFJVJVENPI-MRXNPFEDSA-N 1 2 310.401 2.544 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000350461821 335754784 /nfs/dbraw/zinc/75/47/84/335754784.db2.gz NXLQANIUMXHTPF-CABZTGNLSA-N 1 2 311.288 2.978 20 30 DFEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000329064257 335936377 /nfs/dbraw/zinc/93/63/77/335936377.db2.gz OLYPLRJPNJQDAX-RRFJBIMHSA-N 1 2 303.406 2.890 20 30 DFEDLO CC1(C)C[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C(C)(C)O1 ZINC000329237663 335954196 /nfs/dbraw/zinc/95/41/96/335954196.db2.gz KMSFUUCITLHTPZ-CYBMUJFWSA-N 1 2 320.437 2.569 20 30 DFEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@]12CCOC2 ZINC000329540453 335991741 /nfs/dbraw/zinc/99/17/41/335991741.db2.gz CYLLLBLWZVRLPD-GUYCJALGSA-N 1 2 315.348 2.895 20 30 DFEDLO Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H]1CCc3[nH+]c[nH]c3C1)O2 ZINC000329602915 336003340 /nfs/dbraw/zinc/00/33/40/336003340.db2.gz LCOZSVINIBJJCN-SUMWQHHRSA-N 1 2 311.385 2.926 20 30 DFEDLO Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H]1CCc3[nH]c[nH+]c3C1)O2 ZINC000329602915 336003341 /nfs/dbraw/zinc/00/33/41/336003341.db2.gz LCOZSVINIBJJCN-SUMWQHHRSA-N 1 2 311.385 2.926 20 30 DFEDLO CC(=O)N[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000329607075 336004605 /nfs/dbraw/zinc/00/46/05/336004605.db2.gz MRQPJTLGXWISKH-DOMZBBRYSA-N 1 2 304.394 2.759 20 30 DFEDLO CC(=O)N[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000329607075 336004607 /nfs/dbraw/zinc/00/46/07/336004607.db2.gz MRQPJTLGXWISKH-DOMZBBRYSA-N 1 2 304.394 2.759 20 30 DFEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCCS1 ZINC000329613000 336010162 /nfs/dbraw/zinc/01/01/62/336010162.db2.gz CPGIWCQBRAVPID-AWEZNQCLSA-N 1 2 322.478 2.551 20 30 DFEDLO Cc1ccn2cc(CNC(=O)NCC(C)(C)CCC#N)[nH+]c2c1 ZINC000351760234 336065650 /nfs/dbraw/zinc/06/56/50/336065650.db2.gz FUDWCAGHJOHLQV-UHFFFAOYSA-N 1 2 313.405 2.772 20 30 DFEDLO O=C(C[C@@H]1CCOC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000329728010 336071183 /nfs/dbraw/zinc/07/11/83/336071183.db2.gz COFJRZARINSOLK-UONOGXRCSA-N 1 2 324.446 2.505 20 30 DFEDLO O=C(NC[C@H]1CCCCS1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329729923 336071348 /nfs/dbraw/zinc/07/13/48/336071348.db2.gz FZEHEVVDIDTQNY-CYBMUJFWSA-N 1 2 308.451 2.789 20 30 DFEDLO O=C(NC[C@H]1CCCCS1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329729923 336071350 /nfs/dbraw/zinc/07/13/50/336071350.db2.gz FZEHEVVDIDTQNY-CYBMUJFWSA-N 1 2 308.451 2.789 20 30 DFEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C1CCCC1 ZINC000329735430 336075478 /nfs/dbraw/zinc/07/54/78/336075478.db2.gz RYRUCLOVYRPBHQ-CJNGLKHVSA-N 1 2 302.422 2.836 20 30 DFEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCCCS1 ZINC000329748732 336076872 /nfs/dbraw/zinc/07/68/72/336076872.db2.gz GZXAVMGRUWNJPX-LSDHHAIUSA-N 1 2 322.478 2.856 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C1CC1 ZINC000329770159 336080056 /nfs/dbraw/zinc/08/00/56/336080056.db2.gz FUTOVCHTHRVNCR-HYVNUMGLSA-N 1 2 317.433 2.669 20 30 DFEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C1CC1 ZINC000329770159 336080058 /nfs/dbraw/zinc/08/00/58/336080058.db2.gz FUTOVCHTHRVNCR-HYVNUMGLSA-N 1 2 317.433 2.669 20 30 DFEDLO C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329771592 336080280 /nfs/dbraw/zinc/08/02/80/336080280.db2.gz JZDFBTYIFMODNL-OLZOCXBDSA-N 1 2 304.438 2.894 20 30 DFEDLO O=C(CCC1CCOCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000329794763 336082661 /nfs/dbraw/zinc/08/26/61/336082661.db2.gz GFDOQUHUAUDLOS-UHFFFAOYSA-N 1 2 305.422 2.925 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329802258 336083637 /nfs/dbraw/zinc/08/36/37/336083637.db2.gz KFMQJTSEDWRENA-HGTKMLMNSA-N 1 2 316.401 2.718 20 30 DFEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329802258 336083638 /nfs/dbraw/zinc/08/36/38/336083638.db2.gz KFMQJTSEDWRENA-HGTKMLMNSA-N 1 2 316.401 2.718 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329802260 336083696 /nfs/dbraw/zinc/08/36/96/336083696.db2.gz KFMQJTSEDWRENA-NYTXWWLZSA-N 1 2 316.401 2.718 20 30 DFEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329802260 336083697 /nfs/dbraw/zinc/08/36/97/336083697.db2.gz KFMQJTSEDWRENA-NYTXWWLZSA-N 1 2 316.401 2.718 20 30 DFEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1CCC(=O)CC1 ZINC000329822614 336086346 /nfs/dbraw/zinc/08/63/46/336086346.db2.gz HFXREDJQSYQGPF-UHFFFAOYSA-N 1 2 301.390 2.766 20 30 DFEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000329850291 336089119 /nfs/dbraw/zinc/08/91/19/336089119.db2.gz ZQWDFJHYQUPVLQ-CVEARBPZSA-N 1 2 323.481 2.714 20 30 DFEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CCOC1 ZINC000329862400 336090149 /nfs/dbraw/zinc/09/01/49/336090149.db2.gz YNAMTZUDYANUAP-INIZCTEOSA-N 1 2 318.417 2.842 20 30 DFEDLO Cc1ccc2c(c1)CCN(C([O-])=[NH+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000329903442 336093922 /nfs/dbraw/zinc/09/39/22/336093922.db2.gz IIRNPIYPCRMQSU-OAHLLOKOSA-N 1 2 324.428 2.726 20 30 DFEDLO CC(C)(C)C1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329906229 336094055 /nfs/dbraw/zinc/09/40/55/336094055.db2.gz KAJUKMOSENMRTN-AWEZNQCLSA-N 1 2 304.438 2.870 20 30 DFEDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)C[NH+]1CCOCC1 ZINC000329911849 336094621 /nfs/dbraw/zinc/09/46/21/336094621.db2.gz AWDNEJAYTPLGGP-KFWWJZLASA-N 1 2 324.465 2.553 20 30 DFEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329969143 336100950 /nfs/dbraw/zinc/10/09/50/336100950.db2.gz WKVNEIXUALMBSE-CAOSSQGBSA-N 1 2 316.449 2.918 20 30 DFEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC12CCCC2 ZINC000329996435 336104300 /nfs/dbraw/zinc/10/43/00/336104300.db2.gz OWUYKPKMORRMOM-HNNXBMFYSA-N 1 2 315.417 2.955 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121363 336115453 /nfs/dbraw/zinc/11/54/53/336115453.db2.gz JNXUOZMPDIDDHP-RKVPGOIHSA-N 1 2 318.417 2.933 20 30 DFEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330121363 336115454 /nfs/dbraw/zinc/11/54/54/336115454.db2.gz JNXUOZMPDIDDHP-RKVPGOIHSA-N 1 2 318.417 2.933 20 30 DFEDLO Cc1cc(C)c2c(c1)CN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201740 336123872 /nfs/dbraw/zinc/12/38/72/336123872.db2.gz YGPDIBGZJGURMW-INIZCTEOSA-N 1 2 324.428 2.787 20 30 DFEDLO Cc1cc(C)c2c(c1)CN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201740 336123873 /nfs/dbraw/zinc/12/38/73/336123873.db2.gz YGPDIBGZJGURMW-INIZCTEOSA-N 1 2 324.428 2.787 20 30 DFEDLO C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202719 336123938 /nfs/dbraw/zinc/12/39/38/336123938.db2.gz ZQWKRKGBDLUAQX-HIFRSBDPSA-N 1 2 310.401 2.731 20 30 DFEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C12CC3CC(CC(C3)C1)C2 ZINC000330226496 336126755 /nfs/dbraw/zinc/12/67/55/336126755.db2.gz BONZNHMQFPVBQR-URZJAHPPSA-N 1 2 314.433 2.670 20 30 DFEDLO [O-]C(NC12CC3CC(CC(C3)C1)C2)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330226496 336126757 /nfs/dbraw/zinc/12/67/57/336126757.db2.gz BONZNHMQFPVBQR-URZJAHPPSA-N 1 2 314.433 2.670 20 30 DFEDLO [O-]C(NC1C2CC3CC(C2)CC1C3)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330227683 336126940 /nfs/dbraw/zinc/12/69/40/336126940.db2.gz CCXZZOZDOBOPAD-UWRLEFKFSA-N 1 2 314.433 2.526 20 30 DFEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1C2CC3CC(C2)CC1C3 ZINC000330227683 336126942 /nfs/dbraw/zinc/12/69/42/336126942.db2.gz CCXZZOZDOBOPAD-UWRLEFKFSA-N 1 2 314.433 2.526 20 30 DFEDLO CC(=O)N1CC[C@@H](C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)C1 ZINC000330227203 336127156 /nfs/dbraw/zinc/12/71/56/336127156.db2.gz PCGGMFQSAOIYIB-CYBMUJFWSA-N 1 2 312.373 2.842 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909324 336128358 /nfs/dbraw/zinc/12/83/58/336128358.db2.gz TZCDCUXADLSHGB-QWHCGFSZSA-N 1 2 323.437 2.669 20 30 DFEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C(C)(C)C#N ZINC000351909324 336128360 /nfs/dbraw/zinc/12/83/60/336128360.db2.gz TZCDCUXADLSHGB-QWHCGFSZSA-N 1 2 323.437 2.669 20 30 DFEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000330265000 336131373 /nfs/dbraw/zinc/13/13/73/336131373.db2.gz YPWGTEHRDPOJOW-CABCVRRESA-N 1 2 323.481 2.570 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCO1 ZINC000330281858 336133382 /nfs/dbraw/zinc/13/33/82/336133382.db2.gz VAAAOGQOZUTQRI-GJZGRUSLSA-N 1 2 320.437 2.913 20 30 DFEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@]1(C)CCCO1 ZINC000330283634 336133407 /nfs/dbraw/zinc/13/34/07/336133407.db2.gz WIEDULSZRNKDGB-YOEHRIQHSA-N 1 2 320.437 2.913 20 30 DFEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCCC1 ZINC000330332189 336166861 /nfs/dbraw/zinc/16/68/61/336166861.db2.gz ORYWOEAEZZJTMX-BJJXKVORSA-N 1 2 320.437 2.723 20 30 DFEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2(C)CCCC2)CCO1 ZINC000330336372 336168027 /nfs/dbraw/zinc/16/80/27/336168027.db2.gz SIRAYTVXIMYBES-ZFWWWQNUSA-N 1 2 320.437 2.724 20 30 DFEDLO C[NH+](C)C1(C#N)CCN(C(=O)NCC2(C)CCCCCC2)CC1 ZINC000332378010 336170390 /nfs/dbraw/zinc/17/03/90/336170390.db2.gz UHESVHYHWXLRGO-UHFFFAOYSA-N 1 2 320.481 2.976 20 30 DFEDLO COCc1n[nH]c([C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000351968196 336183958 /nfs/dbraw/zinc/18/39/58/336183958.db2.gz PGUGYGDMKLTFGM-CYBMUJFWSA-N 1 2 305.426 2.808 20 30 DFEDLO COCc1n[nH]c([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000351968196 336183959 /nfs/dbraw/zinc/18/39/59/336183959.db2.gz PGUGYGDMKLTFGM-CYBMUJFWSA-N 1 2 305.426 2.808 20 30 DFEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000526115674 336193820 /nfs/dbraw/zinc/19/38/20/336193820.db2.gz QMTYIFHCUOCADK-QGZVFWFLSA-N 1 2 322.474 2.621 20 30 DFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000333573035 336206218 /nfs/dbraw/zinc/20/62/18/336206218.db2.gz IWAIBWWUMSTWNY-NZVBXONLSA-N 1 2 321.783 2.866 20 30 DFEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000352450004 336219825 /nfs/dbraw/zinc/21/98/25/336219825.db2.gz PXOXBJCOOGKAGF-HNNXBMFYSA-N 1 2 319.355 2.649 20 30 DFEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467684 336220319 /nfs/dbraw/zinc/22/03/19/336220319.db2.gz MNZUQCACFHKAGU-LBPRGKRZSA-N 1 2 307.344 2.789 20 30 DFEDLO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000352484526 336221452 /nfs/dbraw/zinc/22/14/52/336221452.db2.gz QOFPUPXZWXRFSO-GFCCVEGCSA-N 1 2 323.799 2.672 20 30 DFEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489610 336221735 /nfs/dbraw/zinc/22/17/35/336221735.db2.gz CATPQFJEINTHDP-CYBMUJFWSA-N 1 2 303.381 2.904 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000042925587 336243332 /nfs/dbraw/zinc/24/33/32/336243332.db2.gz CUSTYRQHQSPPPL-ZDUSSCGKSA-N 1 2 307.825 2.914 20 30 DFEDLO C#CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000104094113 336245464 /nfs/dbraw/zinc/24/54/64/336245464.db2.gz WDMYJSZBEIEIQW-KRWDZBQOSA-N 1 2 319.470 2.606 20 30 DFEDLO C#CC[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000104094113 336245465 /nfs/dbraw/zinc/24/54/65/336245465.db2.gz WDMYJSZBEIEIQW-KRWDZBQOSA-N 1 2 319.470 2.606 20 30 DFEDLO C=C(C)C[N@H+](CC(=O)N(C)CC1CC1)Cc1cnn(C(C)C)c1 ZINC000352903796 336375599 /nfs/dbraw/zinc/37/55/99/336375599.db2.gz RGGGUCRSOBZYCN-UHFFFAOYSA-N 1 2 318.465 2.711 20 30 DFEDLO C=C(C)C[N@@H+](CC(=O)N(C)CC1CC1)Cc1cnn(C(C)C)c1 ZINC000352903796 336375600 /nfs/dbraw/zinc/37/56/00/336375600.db2.gz RGGGUCRSOBZYCN-UHFFFAOYSA-N 1 2 318.465 2.711 20 30 DFEDLO Cc1c(C#N)c(NC[C@@H](C)[NH+]2CCOCC2)nc2ccccc12 ZINC000296619489 533715181 /nfs/dbraw/zinc/71/51/81/533715181.db2.gz USINMEZAFDRDRY-CYBMUJFWSA-N 1 2 310.401 2.548 20 30 DFEDLO C=CCOCC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000356028501 336532893 /nfs/dbraw/zinc/53/28/93/336532893.db2.gz IYZNSSAECLQMOK-CQSZACIVSA-N 1 2 303.406 2.910 20 30 DFEDLO N#CC[C@H](CC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000359123723 336658931 /nfs/dbraw/zinc/65/89/31/336658931.db2.gz JOJBKAKQSOOHEW-MRXNPFEDSA-N 1 2 308.385 2.697 20 30 DFEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000361110868 336739021 /nfs/dbraw/zinc/73/90/21/336739021.db2.gz RHVZNQILJSSDRX-DGCLKSJQSA-N 1 2 305.365 2.534 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C(=O)OC ZINC000361110910 336739057 /nfs/dbraw/zinc/73/90/57/336739057.db2.gz RPULJLFJBKETTM-SQNIBIBYSA-N 1 2 317.429 2.732 20 30 DFEDLO Cc1cc(NCC2(CC#N)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000362363513 336793651 /nfs/dbraw/zinc/79/36/51/336793651.db2.gz CFGDGYBPVIHBBV-UHFFFAOYSA-N 1 2 323.356 2.888 20 30 DFEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000118395231 336867257 /nfs/dbraw/zinc/86/72/57/336867257.db2.gz GPFTYQIDJVDDDN-INIZCTEOSA-N 1 2 315.392 2.865 20 30 DFEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CCC1 ZINC000418143538 336896594 /nfs/dbraw/zinc/89/65/94/336896594.db2.gz QCBGKRGLNBFLAS-UHFFFAOYSA-N 1 2 319.771 2.843 20 30 DFEDLO N#CCC[C@@H](C#N)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000371615788 336909167 /nfs/dbraw/zinc/90/91/67/336909167.db2.gz YEVPQXMGQQUKEJ-KSSFIOAISA-N 1 2 322.412 2.878 20 30 DFEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375142650 337004390 /nfs/dbraw/zinc/00/43/90/337004390.db2.gz SUTARRQXRZDRET-RDTXWAMCSA-N 1 2 314.433 2.743 20 30 DFEDLO CC(C)(C#N)CCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000375406892 337010618 /nfs/dbraw/zinc/01/06/18/337010618.db2.gz UXVFRKXFEAHELX-CQSZACIVSA-N 1 2 305.447 2.941 20 30 DFEDLO CC(C)(C#N)CCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000375406892 337010619 /nfs/dbraw/zinc/01/06/19/337010619.db2.gz UXVFRKXFEAHELX-CQSZACIVSA-N 1 2 305.447 2.941 20 30 DFEDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531728 337013167 /nfs/dbraw/zinc/01/31/67/337013167.db2.gz MDVIWRVQKAOIAM-DLBZAZTESA-N 1 2 317.816 2.762 20 30 DFEDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000375531728 337013168 /nfs/dbraw/zinc/01/31/68/337013168.db2.gz MDVIWRVQKAOIAM-DLBZAZTESA-N 1 2 317.816 2.762 20 30 DFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375842251 337021011 /nfs/dbraw/zinc/02/10/11/337021011.db2.gz VCWSODJSUYPHID-OAHLLOKOSA-N 1 2 300.381 2.781 20 30 DFEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375842251 337021010 /nfs/dbraw/zinc/02/10/10/337021010.db2.gz VCWSODJSUYPHID-OAHLLOKOSA-N 1 2 300.381 2.781 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722939 337034183 /nfs/dbraw/zinc/03/41/83/337034183.db2.gz KNQDQQVPCXTIRR-JKSUJKDBSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000305722939 337034184 /nfs/dbraw/zinc/03/41/84/337034184.db2.gz KNQDQQVPCXTIRR-JKSUJKDBSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722939 337034185 /nfs/dbraw/zinc/03/41/85/337034185.db2.gz KNQDQQVPCXTIRR-JKSUJKDBSA-N 1 2 312.417 2.936 20 30 DFEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000305722939 337034186 /nfs/dbraw/zinc/03/41/86/337034186.db2.gz KNQDQQVPCXTIRR-JKSUJKDBSA-N 1 2 312.417 2.936 20 30 DFEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376920910 337043661 /nfs/dbraw/zinc/04/36/61/337043661.db2.gz BICQKOBEQICLJE-HZPDHXFCSA-N 1 2 322.412 2.921 20 30 DFEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000377003422 337045042 /nfs/dbraw/zinc/04/50/42/337045042.db2.gz SJVAXATYKUKZNA-CQSZACIVSA-N 1 2 317.437 2.639 20 30 DFEDLO C=CCCC[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378436076 337072570 /nfs/dbraw/zinc/07/25/70/337072570.db2.gz PTTKRWMAOQADSB-AWEZNQCLSA-N 1 2 304.438 2.806 20 30 DFEDLO C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000185349312 337204361 /nfs/dbraw/zinc/20/43/61/337204361.db2.gz UXDVMLBWDWSLHB-GJZGRUSLSA-N 1 2 317.433 2.525 20 30 DFEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000191117719 337294227 /nfs/dbraw/zinc/29/42/27/337294227.db2.gz CHRYKCMZHGXMQD-UHFFFAOYSA-N 1 2 316.323 2.778 20 30 DFEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000191117719 337294228 /nfs/dbraw/zinc/29/42/28/337294228.db2.gz CHRYKCMZHGXMQD-UHFFFAOYSA-N 1 2 316.323 2.778 20 30 DFEDLO Clc1cccnc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192108231 337302861 /nfs/dbraw/zinc/30/28/61/337302861.db2.gz MWNFQOAXPVAFPO-UHFFFAOYSA-N 1 2 311.816 2.909 20 30 DFEDLO N#CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479373 337386593 /nfs/dbraw/zinc/38/65/93/337386593.db2.gz QSERBWQFKARGHA-CYBMUJFWSA-N 1 2 300.337 2.969 20 30 DFEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479373 337386594 /nfs/dbraw/zinc/38/65/94/337386594.db2.gz QSERBWQFKARGHA-CYBMUJFWSA-N 1 2 300.337 2.969 20 30 DFEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000123558738 337399960 /nfs/dbraw/zinc/39/99/60/337399960.db2.gz DPKXLDKZGWQSDA-LJQANCHMSA-N 1 2 322.408 2.925 20 30 DFEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000123558738 337399961 /nfs/dbraw/zinc/39/99/61/337399961.db2.gz DPKXLDKZGWQSDA-LJQANCHMSA-N 1 2 322.408 2.925 20 30 DFEDLO C=C(Br)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000125068681 337409221 /nfs/dbraw/zinc/40/92/21/337409221.db2.gz DGNRFDFWNMTUKJ-NSHDSACASA-N 1 2 307.195 2.827 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057876363 337458240 /nfs/dbraw/zinc/45/82/40/337458240.db2.gz VNIGJMWPTVFCOG-CQSZACIVSA-N 1 2 317.458 2.887 20 30 DFEDLO C=C(Cl)C[NH2+]Cc1ncc(I)s1 ZINC000286680964 337612844 /nfs/dbraw/zinc/61/28/44/337612844.db2.gz VOCHQIDWCPOEJJ-UHFFFAOYSA-N 1 2 314.579 2.590 20 30 DFEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000265257526 337633118 /nfs/dbraw/zinc/63/31/18/337633118.db2.gz BAWJYHZNKXSUSC-DOMZBBRYSA-N 1 2 316.380 2.912 20 30 DFEDLO C=CCOc1cccc(NC(=O)NCc2c[nH+]ccc2OC)c1 ZINC000432756980 338166671 /nfs/dbraw/zinc/16/66/71/338166671.db2.gz KFJJFIATBFAAAP-UHFFFAOYSA-N 1 2 313.357 2.977 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(C)(C)C#N ZINC000433284464 338189311 /nfs/dbraw/zinc/18/93/11/338189311.db2.gz GCELWJLQIOQKAR-GFCCVEGCSA-N 1 2 305.447 2.503 20 30 DFEDLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(C)(C)C#N ZINC000433284464 338189312 /nfs/dbraw/zinc/18/93/12/338189312.db2.gz GCELWJLQIOQKAR-GFCCVEGCSA-N 1 2 305.447 2.503 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000433300779 338190263 /nfs/dbraw/zinc/19/02/63/338190263.db2.gz FQHPXMDOGSSDRE-UHFFFAOYSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(CCOC)c1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000433300779 338190264 /nfs/dbraw/zinc/19/02/64/338190264.db2.gz FQHPXMDOGSSDRE-UHFFFAOYSA-N 1 2 304.438 2.536 20 30 DFEDLO CCN(CCOC)c1cccc(CN(C)CC(C)(C)C#N)[nH+]1 ZINC000433300779 338190265 /nfs/dbraw/zinc/19/02/65/338190265.db2.gz FQHPXMDOGSSDRE-UHFFFAOYSA-N 1 2 304.438 2.536 20 30 DFEDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311145 338191278 /nfs/dbraw/zinc/19/12/78/338191278.db2.gz GEQVFSZNYCNXSI-LSDHHAIUSA-N 1 2 301.434 2.776 20 30 DFEDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433311145 338191279 /nfs/dbraw/zinc/19/12/79/338191279.db2.gz GEQVFSZNYCNXSI-LSDHHAIUSA-N 1 2 301.434 2.776 20 30 DFEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433310739 338191465 /nfs/dbraw/zinc/19/14/65/338191465.db2.gz DLVSPCTVKWALDM-UHFFFAOYSA-N 1 2 317.433 2.572 20 30 DFEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433310739 338191466 /nfs/dbraw/zinc/19/14/66/338191466.db2.gz DLVSPCTVKWALDM-UHFFFAOYSA-N 1 2 317.433 2.572 20 30 DFEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000435584589 338242798 /nfs/dbraw/zinc/24/27/98/338242798.db2.gz MPKCZOVZSKNUFS-RDJZCZTQSA-N 1 2 310.401 2.662 20 30 DFEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cc[nH]n1 ZINC000437369587 338308161 /nfs/dbraw/zinc/30/81/61/338308161.db2.gz NSASIHDLVGKPAA-UHFFFAOYSA-N 1 2 309.291 2.792 20 30 DFEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cc[nH]n1 ZINC000437369587 338308162 /nfs/dbraw/zinc/30/81/62/338308162.db2.gz NSASIHDLVGKPAA-UHFFFAOYSA-N 1 2 309.291 2.792 20 30 DFEDLO N#CCCn1cc(C[NH2+]C(CF)CF)c(-c2ccccc2)n1 ZINC000449374180 338619068 /nfs/dbraw/zinc/61/90/68/338619068.db2.gz XTYONTYXCWZXKW-UHFFFAOYSA-N 1 2 304.344 2.861 20 30 DFEDLO C=CCC1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCCC1 ZINC000450848651 338708277 /nfs/dbraw/zinc/70/82/77/338708277.db2.gz RRASLBBIABCHTC-GDBMZVCRSA-N 1 2 317.433 2.893 20 30 DFEDLO COC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1Cl ZINC000450970676 338715047 /nfs/dbraw/zinc/71/50/47/338715047.db2.gz FBSMKUCDTNYRGE-UHFFFAOYSA-N 1 2 310.756 2.954 20 30 DFEDLO CC(C)(CC#N)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457946924 338983690 /nfs/dbraw/zinc/98/36/90/338983690.db2.gz UVXDHSPTWRIKGR-UHFFFAOYSA-N 1 2 311.389 2.611 20 30 DFEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)CC#N ZINC000458048371 338986942 /nfs/dbraw/zinc/98/69/42/338986942.db2.gz ZVSDDZDHJSWXHX-UHFFFAOYSA-N 1 2 320.343 2.679 20 30 DFEDLO C=C(C)CCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000459010649 339011154 /nfs/dbraw/zinc/01/11/54/339011154.db2.gz XBINFTJCTLKTCY-UHFFFAOYSA-N 1 2 304.316 2.553 20 30 DFEDLO C=CCC[C@H](CC)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000462832877 339093177 /nfs/dbraw/zinc/09/31/77/339093177.db2.gz MFXUKDUXOXXOSM-INIZCTEOSA-N 1 2 301.434 2.775 20 30 DFEDLO C=CCC[C@H](CC)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000462832877 339093178 /nfs/dbraw/zinc/09/31/78/339093178.db2.gz MFXUKDUXOXXOSM-INIZCTEOSA-N 1 2 301.434 2.775 20 30 DFEDLO C=CCC[C@@H](CC)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000462832878 339093207 /nfs/dbraw/zinc/09/32/07/339093207.db2.gz MFXUKDUXOXXOSM-MRXNPFEDSA-N 1 2 301.434 2.775 20 30 DFEDLO C=CCC[C@@H](CC)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000462832878 339093208 /nfs/dbraw/zinc/09/32/08/339093208.db2.gz MFXUKDUXOXXOSM-MRXNPFEDSA-N 1 2 301.434 2.775 20 30 DFEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000479137226 339528142 /nfs/dbraw/zinc/52/81/42/339528142.db2.gz PEZOLZBIAALOTC-UHFFFAOYSA-N 1 2 315.373 2.507 20 30 DFEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)OC ZINC000482438532 339631431 /nfs/dbraw/zinc/63/14/31/339631431.db2.gz MFPKXGOXQRHNST-BBWFWOEESA-N 1 2 303.402 2.657 20 30 DFEDLO C#CCN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490865497 339842425 /nfs/dbraw/zinc/84/24/25/339842425.db2.gz CHCQCLTXVZDSFR-SFHVURJKSA-N 1 2 324.428 2.906 20 30 DFEDLO C#C[C@H](C)N(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000491314251 339857637 /nfs/dbraw/zinc/85/76/37/339857637.db2.gz FIQSWYXFHCFOOD-INIZCTEOSA-N 1 2 324.428 2.679 20 30 DFEDLO N#CC1(C[N@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)CC1 ZINC000496482824 340006412 /nfs/dbraw/zinc/00/64/12/340006412.db2.gz WLEMWERXJRYYBW-HNNXBMFYSA-N 1 2 305.422 2.767 20 30 DFEDLO N#CC1(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCCC2)CC1 ZINC000496482824 340006413 /nfs/dbraw/zinc/00/64/13/340006413.db2.gz WLEMWERXJRYYBW-HNNXBMFYSA-N 1 2 305.422 2.767 20 30 DFEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000505533705 340170513 /nfs/dbraw/zinc/17/05/13/340170513.db2.gz RRKTZBDQHXFDTB-LBPRGKRZSA-N 1 2 323.183 2.961 20 30 DFEDLO Cc1cccc2[nH+]cc(CN(CCC#N)Cc3cccnc3)n21 ZINC000505886504 340180790 /nfs/dbraw/zinc/18/07/90/340180790.db2.gz GTYDHHBJKSJWTC-UHFFFAOYSA-N 1 2 305.385 2.954 20 30 DFEDLO CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000505894388 340181099 /nfs/dbraw/zinc/18/10/99/340181099.db2.gz OAJZXLGCZXOGRT-INIZCTEOSA-N 1 2 301.434 2.905 20 30 DFEDLO CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)C[C@@H](C)C#N ZINC000505894388 340181100 /nfs/dbraw/zinc/18/11/00/340181100.db2.gz OAJZXLGCZXOGRT-INIZCTEOSA-N 1 2 301.434 2.905 20 30 DFEDLO C=CCNC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000173941176 340378364 /nfs/dbraw/zinc/37/83/64/340378364.db2.gz HIVAFTSTBGYEAI-MRXNPFEDSA-N 1 2 323.387 2.929 20 30 DFEDLO CCC(C#N)(CC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000528545521 340723732 /nfs/dbraw/zinc/72/37/32/340723732.db2.gz MZOWVIQPZYDOET-UHFFFAOYSA-N 1 2 302.422 2.758 20 30 DFEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763659 340732925 /nfs/dbraw/zinc/73/29/25/340732925.db2.gz VPCWZYLSDCHXQN-OAHLLOKOSA-N 1 2 307.401 2.733 20 30 DFEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCC(C#N)CC1 ZINC000545948989 341147999 /nfs/dbraw/zinc/14/79/99/341147999.db2.gz PCHZREFDNUNMBT-CYBMUJFWSA-N 1 2 323.400 2.639 20 30 DFEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075006038 341159770 /nfs/dbraw/zinc/15/97/70/341159770.db2.gz CQFBVQVQWREYLU-LLVKDONJSA-N 1 2 319.243 2.836 20 30 DFEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075006038 341159769 /nfs/dbraw/zinc/15/97/69/341159769.db2.gz CQFBVQVQWREYLU-LLVKDONJSA-N 1 2 319.243 2.836 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000078340280 341240764 /nfs/dbraw/zinc/24/07/64/341240764.db2.gz BXZOEEIGHOUXPE-LSDHHAIUSA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000078340280 341240765 /nfs/dbraw/zinc/24/07/65/341240765.db2.gz BXZOEEIGHOUXPE-LSDHHAIUSA-N 1 2 322.474 2.762 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246128949 341328272 /nfs/dbraw/zinc/32/82/72/341328272.db2.gz XHCBWDNKJUBJDO-CXAGYDPISA-N 1 2 303.406 2.859 20 30 DFEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000246128949 341328273 /nfs/dbraw/zinc/32/82/73/341328273.db2.gz XHCBWDNKJUBJDO-CXAGYDPISA-N 1 2 303.406 2.859 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000249040420 341392628 /nfs/dbraw/zinc/39/26/28/341392628.db2.gz BXZOEEIGHOUXPE-CABCVRRESA-N 1 2 322.474 2.762 20 30 DFEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249040420 341392629 /nfs/dbraw/zinc/39/26/29/341392629.db2.gz BXZOEEIGHOUXPE-CABCVRRESA-N 1 2 322.474 2.762 20 30 DFEDLO C#CCNC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000253598405 341458552 /nfs/dbraw/zinc/45/85/52/341458552.db2.gz KLISEVCOOJSULW-UHFFFAOYSA-N 1 2 319.364 2.585 20 30 DFEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000556180571 341496553 /nfs/dbraw/zinc/49/65/53/341496553.db2.gz XVDBKVOLCMMISY-KRWDZBQOSA-N 1 2 300.406 2.629 20 30 DFEDLO N#CCc1ccccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000565742587 341536698 /nfs/dbraw/zinc/53/66/98/341536698.db2.gz DZVKPMPKFIQCIQ-UHFFFAOYSA-N 1 2 303.325 2.586 20 30 DFEDLO C=CC(C)(C)CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566469460 341558996 /nfs/dbraw/zinc/55/89/96/341558996.db2.gz UQINGLYHTRMKCT-JTQLQIEISA-N 1 2 303.328 2.785 20 30 DFEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000577387103 341907418 /nfs/dbraw/zinc/90/74/18/341907418.db2.gz YWRKZCWETLYAFX-MAUKXSAKSA-N 1 2 315.417 2.544 20 30 DFEDLO C=CCCC(C)(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000620861668 500574346 /nfs/dbraw/zinc/57/43/46/500574346.db2.gz VTAMDSWFLARWSB-UHFFFAOYSA-N 1 2 316.445 2.993 20 30 DFEDLO CSC[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000292489285 533807213 /nfs/dbraw/zinc/80/72/13/533807213.db2.gz SUMSHXNUGNIYDT-ZDUSSCGKSA-N 1 2 321.446 2.782 20 30 DFEDLO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000292489285 533807221 /nfs/dbraw/zinc/80/72/21/533807221.db2.gz SUMSHXNUGNIYDT-ZDUSSCGKSA-N 1 2 321.446 2.782 20 30 DFEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000331898527 534006927 /nfs/dbraw/zinc/00/69/27/534006927.db2.gz WUYFXJIVSRWEDG-YPMHNXCESA-N 1 2 300.387 2.540 20 30 DFEDLO Cc1nsc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1C#N ZINC000297447712 534513516 /nfs/dbraw/zinc/51/35/16/534513516.db2.gz OUALGHDPMITZBE-NSHDSACASA-N 1 2 316.390 2.805 20 30 DFEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc1 ZINC000158017500 524460310 /nfs/dbraw/zinc/46/03/10/524460310.db2.gz QUFHSUWDYITMFP-UHFFFAOYSA-N 1 2 310.376 2.723 20 30 DFEDLO CC(=O)c1ccc(C#N)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000302053136 527224777 /nfs/dbraw/zinc/22/47/77/527224777.db2.gz YGFZCHSHVYTBNO-QGZVFWFLSA-N 1 2 307.353 2.814 20 30 DFEDLO CC(=O)c1ccc(C#N)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302046870 527230574 /nfs/dbraw/zinc/23/05/74/527230574.db2.gz LFVFTWCMQUKKOO-MRXNPFEDSA-N 1 2 307.353 2.814 20 30 DFEDLO CCN(CC)c1ccc(Nc2ncc(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC000295589733 528313273 /nfs/dbraw/zinc/31/32/73/528313273.db2.gz SRYOAQWUBNCJIM-UHFFFAOYSA-N 1 2 312.333 2.846 20 30 DFEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(F)F)CC1 ZINC000362723287 536758309 /nfs/dbraw/zinc/75/83/09/536758309.db2.gz JQGUCUWJPQFFBY-AWEZNQCLSA-N 1 2 308.328 2.749 20 30 DFEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000680973556 545573360 /nfs/dbraw/zinc/57/33/60/545573360.db2.gz VYCJOZVLVQQXMJ-UHFFFAOYSA-N 1 2 312.369 2.946 20 30 DFEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000680999761 545579536 /nfs/dbraw/zinc/57/95/36/545579536.db2.gz 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